Remote patient monitoring (RPM) is the use of digital technologies to improve patient care at a distance. However, current RPM solutions are often biased toward tech-savvy patients. To foster health equity, researchers have studied how to address the socio-economic and cognitive needs of diverse patient groups, but their emotional needs have remained largely neglected. We perform the first qualitative study to explore the emotional needs of diverse patients around RPM. Specifically, we conduct a thematic analysis of 18 interviews and 4 focus groups at a large US healthcare organization. We identify emotional needs that lead to four emotional tensions within and across stakeholder groups when applying an equity focus to the design and implementation of RPM technologies. The four emotional tensions are making diverse patients feel: (i) heard vs. exploited; (ii) seen vs. deprioritized for efficiency; (iii) empowered vs. anxious; and (iv) cared for vs. detached from care. To manage these emotional tensions across stakeholders, we develop design recommendations informed by a paradox mindset (i.e., ‘both-and’ rather than ‘and-or’ strategies).
Artificial Intelligence in Management
Function names can greatly aid human reverse engineers, which has spurred the development of machine learning-based approaches to predicting function names in stripped binaries. Much current work in this area now uses transformers, applying a metaphor of machine translation from code to function names. Still, function naming models face challenges in generalizing to projects unrelated to the training set. In this paper, we take a completely new approach by transferring advances in automated image captioning to the domain of binary reverse engineering, such that different parts of a binary function can be associated with parts of its name. We propose BLens, which combines multiple binary function embeddings into a new ensemble representation, aligns it with the name representation latent space via a contrastive learning approach, and generates function names with a transformer architecture tailored for function names. Our experiments demonstrate that BLens significantly outperforms the state of the art. In the usual setting of splitting per binary, we achieve an F1 score of 0.79 compared to 0.70. In the cross-project setting, which emphasizes generalizability, we achieve an F1 score of 0.46 compared to 0.29. Finally, in an experimental setting reducing shared components across projects, we achieve an F1 score of 0.32 compared to 0.19.
Programming Languages and Artificial Intelligence
Programming Languages and Artificial Intelligence
Programming Languages and Artificial Intelligence
In this paper, we consider the problem of recovering the W2-optimal transport map T between absolutely continuous measures as the flow of a linear-control neural ODE, where the control depends only on the time variable and takes values in a finite-dimensional space. We first show that, under suitable assumptions on and on the controlled vector fields governing the neural ODE, the optimal transport map is contained in the -closure of the flows generated by the system. Then, we tackle the problem under the assumption that only discrete approximations of of the original measures are available: we formulate approximated optimal control problems, and we show that their solutions give flows that approximate the original optimal transport map . In the framework of generative models, the approximating flow constructed here can be seen as a ‘Normalizing Flow’, which usually refers to the task of providing invertible transport maps between probability measures by means of deep neural networks. We propose an iterative numerical scheme based on the Pontryagin Maximum Principle for the resolution of the optimal control problem, resulting in a method for the practical computation of the approximated optimal transport map, and we test it on a two-dimensional example.
Applied Numerical Analysis
Pathology detection in medical imaging is crucial for radiologists, yet current approaches that train specialized models for each region of interest often lack efficiency and robustness. Furthermore, the scarcity of annotated medical data, particularly for diverse phenotypes, poses significant challenges in achieving generalizability. To address these challenges, we present a novel language-guided object detection pipeline for medical imaging that leverages curriculum learning strategies, chosen for their ability to progressively train models on increasingly complex samples, thereby improving generalization across pathologies, phenotypes, and modalities. We developed a unified pipeline to convert segmentation datasets into bounding box annotations, and applied two curriculum learning approaches - teacher curriculum and bounding box size curriculum - to train a Grounding DINO model. Our method was evaluated on different tumor types in MRI and CT scans and showed significant improvements in detection accuracy. The teacher and bounding box size curriculum learning approaches yielded a 4.9% AP and 5.2% AP increase over baseline, respectively. The results highlight the potential of curriculum learning to optimize medical image analysis and clinical workflow by providing a versatile and efficient detection algorithm.
Conversational AI tools for generating and discussing accurate radiology reports could transform radiology by enabling collaborative, human-in-the-loop diagnostic processes, saving time and enhancing report quality. While, to this end, Large Vision-Language Models hold promise, current methods lack clinical correctness or are single-task models without conversational abilities. We propose a novel architecture and dataset to address these limitations. First, we propose a secondary image branch, explicitly focusing on structured clinical findings, improving the clinical correctness score by 13.3%. Second, we propose a catastrophic forgetting mitigation strategy and instruct dataset with variable dialog-based tasks, to enable our model to handle a multitude of different queries. RaDialog marks a foundational step toward clinical dialog systems, outperforming existing medical LVLMs by 15.0% in clinical correctness in report generation, 23.4% in interactive report correction, and is preferred by radiologists in 84.0% of cases over a comparative method.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
As neural networks become dominant in essential systems, Explainable Artificial Intelligence (XAI) plays a crucial role in fostering trust and detecting potential misbehavior of opaque models. LIME (Local Interpretable Model-agnostic Explanations) is among the most prominent model-agnostic approaches, generating explanations by approximating the behavior of black-box models around specific instances. Despite its popularity, LIME faces challenges related to fidelity, stability, and applicability to domain-specific problems. Numerous adaptations and enhancements have been proposed to address these issues, but the growing number of developments can be overwhelming, complicating efforts to navigate LIME-related research. To the best of our knowledge, this is the first survey to comprehensively explore and collect LIME’s foundational concepts and known limitations. We categorize and compare its various enhancements, offering a structured taxonomy based on intermediate steps and key issues. Our analysis provides a holistic overview of advancements in LIME, guiding future research and helping practitioners identify suitable approaches. Additionally, we provide a continuously updated interactive website (this https URL), offering a concise and accessible overview of the survey.
Large Language Models (LLMs) possess outstanding capabilities in addressing various natural language processing (NLP) tasks. However, the sheer size of these models poses challenges in terms of storage, training and inference due to the inclusion of billions of parameters through layer stacking. While traditional approaches such as model pruning or distillation offer ways for reducing model size, they often come at the expense of performance retention. In our investigation, we systematically explore the approach of reducing the number of layers in LLMs. Surprisingly, we observe that even with fewer layers, LLMs maintain similar or better performance levels, particularly in prompt-based fine-tuning for text classification tasks. Remarkably, in certain cases, models with a single layer outperform their fully layered counterparts. These findings offer valuable insights for future work aimed at mitigating the size constraints of LLMs while preserving their performance, thereby opening avenues for significantly more efficient use of LLMs.
The multi-modality imaging system offers optimal fused images for safe and precise interventions in modern clinical practices, such as computed tomography - ultrasound (CT-US) guidance for needle insertion. However, the limited dexterity and mobility of current imaging devices hinder their integration into standardized workflows and the advancement toward fully autonomous intervention systems. In this paper, we present a novel clinical setup where robotic cone beam computed tomography (CBCT) and robotic US are pre-calibrated and dynamically co-registered, enabling new clinical applications. This setup allows registration-free rigid registration, facilitating multi-modal guided procedures in the absence of tissue deformation. First, a one-time pre-calibration is performed between the systems. To ensure a safe insertion path by highlighting critical vasculature on the 3D CBCT, SAM2 segments vessels from B-mode images, using the Doppler signal as an autonomously generated prompt. Based on the registration, the Doppler image or segmented vessel masks are then mapped onto the CBCT, creating an optimally fused image with comprehensive detail. To validate the system, we used a specially designed phantom, featuring lesions covered by ribs and multiple vessels with simulated moving flow. The mapping error between US and CBCT resulted in an average deviation of 1.72+-0.62 mm. A user study demonstrated the effectiveness of CBCT-US fusion for needle insertion guidance, showing significant improvements in time efficiency, accuracy, and success rate. Needle intervention performance improved by approximately 50% compared to the conventional US-guided workflow. We present the first robotic dual-modality imaging system designed to guide clinical applications. The results show significant performance improvements compared to traditional manual interventions.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Scaling by training on large datasets has been shown to enhance the quality and fidelity of image generation and manipulation with diffusion models; however, such large datasets are not always accessible in medical imaging due to cost and privacy issues, which contradicts one of the main applications of such models to produce synthetic samples where real data is scarce. Also, finetuning on pre-trained general models has been a challenge due to the distribution shift between the medical domain and the pre-trained models. Here, we propose Latent Drift (LD) for diffusion models that can be adopted for any fine-tuning method to mitigate the issues faced by the distribution shift or employed in inference time as a condition. Latent Drifting enables diffusion models to be conditioned for medical images fitted for the complex task of counterfactual image generation, which is crucial to investigate how parameters such as gender, age, and adding or removing diseases in a patient would alter the medical images. We evaluate our method on three public longitudinal benchmark datasets of brain MRI and chest X-rays for counterfactual image generation. Our results demonstrate significant performance gains in various scenarios when combined with different fine-tuning schemes. The source code of this work will be publicly released upon its acceptance.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Dimensionality reduction is a fundamental task that aims to simplify complex data by reducing its feature dimensionality while preserving essential patterns, with core applications in data analysis and visualisation. To preserve the underlying data structure, multi-dimensional scaling (MDS) methods focus on preserving pairwise dissimilarities, such as distances. They optimise the embedding to have pairwise distances as close as possible to the data dissimilarities. However, the current standard is limited to embedding data in Riemannian manifolds. Motivated by the lack of asymmetry in the Riemannian metric of the embedding space, this paper extends the MDS problem to a natural asymmetric generalisation of Riemannian manifolds called Finsler manifolds. Inspired by Euclidean spaces, we define a canonical Finsler space for embedding asymmetric data. Due to its simplicity with respect to geodesics, data representation in this space is both intuitive and simple to analyse. We demonstrate that our generalisation benefits from the same theoretical convergence guarantees. We reveal the effectiveness of our Finsler embedding across various types of non-symmetric data, highlighting its value in applications such as data visualisation, dimensionality reduction, directed graph embedding, and link prediction.
Open-vocabulary semantic segmentation models associate vision and text to label pixels from an undefined set of classes using textual queries, providing versatile performance on novel datasets. However, large shifts between training and test domains degrade their performance, requiring fine-tuning for effective real-world application. We introduce Semantic Library Adaptation (SemLa), a novel framework for training-free, test-time domain adaptation. SemLa leverages a library of LoRA-based adapters indexed with CLIP embeddings, dynamically merging the most relevant adapters based on proximity to the target domain in the embedding space. This approach constructs an ad-hoc model tailored to each specific input without additional training. Our method scales efficiently, enhances explainability by tracking adapter contributions, and inherently protects data privacy, making it ideal for sensitive applications. Comprehensive experiments on an 18-domain benchmark built over 10 standard datasets demonstrate SemLa’s superior adaptability and performance across diverse settings, establishing a new standard in domain adaptation for open-vocabulary semantic segmentation.
In this work we address various shape matching problems that can be cast as finding cyclic paths in a product graph. This involves for example 2D-3D shape matching, 3D shape matching, or the matching of a contour to a graph. In this context, matchings are typically obtained as the minimum cost cycle in the product graph. Instead, inspired by related works on model-based image segmentation, we consider minimum ratio cycles, which we combine with the recently introduced conjugate product graph in order to allow for higher-order matching costs. With that, on the one hand we avoid the bias of obtaining matchings that involve fewer/shorter edges, while on the other hand being able to impose powerful geometric regularisation, e.g. to avoid zig-zagging. In our experiments we demonstrate that this not only leads to improved matching accuracy in most cases, but also to significantly reduced runtimes (up to two orders of magnitude, depending on the setting). Our GPU implementation will be made publicly available upon acceptance.
We tackle the problem of automatic calibration of radially distorted cameras in challenging conditions.Accurately determining distortion parameters typically requires either 1) solving the full Structure from Motion (SfM) problem involving camera poses, 3D points, and the distortion parameters, which is only possible if many images with sufficient overlap are provided, or 2) relying heavily on learning-based methods that are comparatively less accurate.In this work, we demonstrate that distortion calibration can be decoupled from 3D reconstruction, maintaining the accuracy of SfM-based methods while avoiding many of the associated complexities. This is achieved by working in Projective Space, where the geometry is unique up to a homography, which encapsulates all camera parameters except for distortion.Our proposed method, Projective Radial Distortion Averaging, averages multiple distortion estimates in a fully projective framework without creating 3d points and full bundle adjustment. By relying on pairwise projective relations, our methods support any feature-matching approaches without constructing point tracks across multiple images.
Computer Vision & Artificial Intelligence
Finding correspondences between 3D shapes is a crucial problem in computer vision and graphics. While most research has focused on finding correspondences in settings where at least one of the shapes is complete, the realm of partial-to-partial shape matching remains under-explored. Yet it is of importance since, in many applications, shapes are only observed partially due to occlusion or scanning.Finding correspondences between partial shapes comes with an additional challenge: We not only want to identify correspondences between points on either shape but also have to determine which points of each shape actually have a partner.To tackle this challenging problem, we present EchoMatch, a novel framework for partial-to-partial shape matching that incorporates the concept of correspondence reflection to enable an overlap prediction within a functional map framework.With this approach, we show that we can outperform current SOTA methods in challenging partial-to-partial shape matching problems.
Cooperative perception can increase the view field and decrease the occlusion of an ego vehicle, hence improving the perception performance and safety of autonomous driving. Despite the success of previous works on cooperative object detection, they mostly operate on dense Bird’s Eye View (BEV) feature maps, which is computationally demanding and can hardly be extended to long-range detection problems. More efficient fully sparse frameworks are rarely explored. In this work, we design a fully sparse framework, textit{SparseAlign}, with three key features: an enhanced sparse 3D backbone, a query-based temporal context learning module, and a robust detection head specially tailored for sparse features. Extensive experimental results on both OPV2V and DairV2X datasets show that our framework, despite sparsity, outperforms the state of the art with less communication bandwidth requirements. In addition, experiments on the OPV2Vt and DairV2Xt datasets for time-aligned cooperative object detection also show a significant performance gain compared to the baseline works.
In recent years, advances in text-to-image (T2I) diffusion models have substantially elevated the quality of their generated images. However, achieving fine-grained control over attributes remains a challenge due to the limitations of natural language prompts (such as no continuous set of intermediate descriptions existing between person'' and
old person’’). Even though many methods were introduced that augment the model or generation process to enable such control, methods that do not require a fixed reference image are limited to either enabling global fine-grained attribute expression control or coarse attribute expression control localized to specific subjects, not both simultaneously. We show that there exist directions in the commonly used token-level CLIP text embeddings that enable fine-grained subject-specific control of high-level attributes in text-to-image models. Based on this observation, we introduce one efficient optimization-free and one robust optimization-based method to identify these directions for specific attributes from contrastive text prompts. We demonstrate that these directions can be used to augment the prompt text input with fine-grained control over attributes of specific subjects in a compositional manner (control over multiple attributes of a single subject) without having to adapt the diffusion model.
One-Shot Federated Learning (OSFL), a special decentralized machine learning paradigm, has recently gained significant attention. OSFL requires only a single round of client data or model upload, which reduces communication costs and mitigates privacy threats compared to traditional FL. Despite these promising prospects, existing methods face challenges due to client data heterogeneity and limited data quantity when applied to real-world OSFL systems. Recently, Latent Diffusion Models (LDM) have shown remarkable advancements in synthesizing high-quality images through pretraining on large-scale datasets, thereby presenting a potential solution to overcome these issues. However, directly applying pretrained LDM to heterogeneous OSFL results in significant distribution shifts in synthetic data, leading to performance degradation in classification models trained on such data. This issue is particularly pronounced in rare domains, such as medical imaging, which are underrepresented in LDM’s pretraining data. To address this challenge, we propose Federated Bi-Level Personalization (FedBiP), which personalizes the pretrained LDM at both instance-level and concept-level. Hereby, FedBiP synthesizes images following the client’s local data distribution without compromising the privacy regulations. FedBiP is also the first approach to simultaneously address feature space heterogeneity and client data scarcity in OSFL. Our method is validated through extensive experiments on three OSFL benchmarks with feature space heterogeneity, as well as on challenging medical and satellite image datasets with label heterogeneity. The results demonstrate the effectiveness of FedBiP, which substantially outperforms other OSFL methods.
Probabilistic human motion prediction aims to forecast multiple possible future movements from past observations. While current approaches report high diversity and realism, they often generate motions with undetected limb stretching and jitter. To address this, we introduce SkeletonDiffusion, a latent diffusion model that embeds an explicit inductive bias on the human body within its architecture and training. Our model is trained with a novel nonisotropic Gaussian diffusion formulation that aligns with the natural kinematic structure of the human skeleton. Results show that our approach outperforms conventional isotropic alternatives, consistently generating realistic predictions while avoiding artifacts such as limb distortion. Additionally, we identify a limitation in commonly used diversity metrics, which may inadvertently favor models that produce inconsistent limb lengths within the same sequence. SkeletonDiffusion sets a new benchmark on three real-world datasets, outperforming various baselines across multiple evaluation metrics.
Computer Vision & Artificial Intelligence
Model merging combines multiple expert models finetuned from a base foundation model on diverse tasks and domains into a single, more capable model. However, most existing model merging approaches assume that all experts are available simultaneously. In reality, new tasks and domains emerge progressively over time, requiring strategies to integrate the knowledge of expert models as they become available: a process we call temporal model merging. The temporal dimension introduces unique challenges not addressed in prior work, raising new questions such as: when training for a new task, should the expert model start from the merged past experts or from the original base model? Should we merge all models at each time step? Which merging techniques are best suited for temporal merging? Should different strategies be used to initialize the training and deploy the model? To answer these questions, we propose a unified framework called TIME (Temporal Integration of Model Expertise) which defines temporal model merging across three axes: (1) initialization, (2) deployment, and (3) merging technique. Using TIME, we study temporal model merging across model sizes, compute budgets, and learning horizons on the FoMo-in-Flux benchmark. Our comprehensive suite of experiments across TIME allows us to build a better understanding of current challenges and best practices for effective temporal model merging.
Unsupervised panoptic segmentation aims to partition an image into semantically meaningful regions and distinct object instances without training on manually annotated data. In contrast to prior work on unsupervised panoptic scene understanding, we eliminate the need for object-centric training data, enabling the unsupervised understanding of complex scenes. To that end, we present the first unsupervised panoptic method that directly trains on scene-centric imagery. In particular, we propose an approach to obtain high-resolution panoptic pseudo labels on complex scene-centric data combining visual representations, depth, and motion cues. Utilizing both pseudo-label training and a panoptic self-training strategy yields a novel approach that accurately predicts panoptic segmentation of complex scenes without requiring any human annotations. Our approach significantly improves panoptic quality, e.g., surpassing the recent state of the art in unsupervised panoptic segmentation on Cityscapes by 9.4% points in PQ.
Computer Vision & Artificial Intelligence
Computer Vision & Artificial Intelligence
Large language models (LLMs) excel at retrieving information from lengthy text, but their vision-language counterparts (VLMs) face difficulties with hour-long videos, especially for temporal grounding. Specifically, these VLMs are constrained by frame limitations, often losing essential temporal details needed for accurate event localization in extended video content. We propose ReVisionLLM, a recursive vision-language model designed to locate events in hour-long videos. Inspired by human search strategies, our model initially targets broad segments of interest, progressively revising its focus to pinpoint exact temporal boundaries. Our model can seamlessly handle videos of vastly different lengths, from minutes to hours. We also introduce a hierarchical training strategy that starts with short clips to capture distinct events and progressively extends to longer videos. To our knowledge, ReVisionLLM is the first VLM capable of temporal grounding in hour-long videos, outperforming previous state-of-the-art methods across multiple datasets by a significant margin (+2.6% R1@0.1 on MAD).
Vision-Language Models (VLMs) trained with contrastive loss have achieved significant advancements in various vision and language tasks. However, the global nature of contrastive loss makes VLMs focus predominantly on foreground objects, neglecting other crucial information in the image, which limits their effectiveness in downstream tasks. To address these challenges, we propose COSMOS: CrOSs-MOdality Self-distillation for vision-language pre-training that integrates a novel text-cropping strategy and cross-attention module into a self-supervised learning framework. We create global and local views of images and texts (i.e., multi-modal augmentations), which are essential for self-distillation in VLMs. We further introduce a cross-attention module, enabling COSMOS to learn comprehensive cross-modal representations optimized via a cross-modality self-distillation loss. COSMOS consistently outperforms previous strong baselines on various zero-shot downstream tasks, including retrieval, classification, and semantic segmentation. Additionally, it surpasses CLIP-based models trained on larger datasets in visual perception and contextual understanding tasks.
Interpretable and Reliable Machine Learning
Interpretable and Reliable Machine Learning
A key challenge in model-free category-level pose estimation is the extraction of contextual object features that generalize across varying instances within a specific category. Recent approaches leverage foundational features to capture semantic and geometry cues from data. However, these approaches fail under partial visibility. We overcome this with a first-complete-then-aggregate strategy for feature extraction utilizing class priors. In this paper, we present GCE-Pose, a method that enhances pose estimation for novel instances by integrating category-level global context prior. GCE-Pose performs semantic shape reconstruction with a proposed Semantic Shape Reconstruction (SSR) module. Given an unseen partial RGB-D object instance, our SSR module reconstructs the instance’s global geometry and semantics by deforming category-specific 3D semantic prototypes through a learned deep Linear Shape Model. We further introduce a Global Context Enhanced (GCE) feature fusion module that effectively fuses features from partial RGB-D observations and the reconstructed global context. Extensive experiments validate the impact of our global context prior and the effectiveness of the GCE fusion module, demonstrating that GCE-Pose significantly outperforms existing methods on challenging real-world datasets HouseCat6D and NOCS-REAL275.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Operating rooms (ORs) are complex, high-stakes environments requiring precise understanding of interactions among medical staff, tools, and equipment for enhancing surgical assistance, situational awareness, and patient safety. Current datasets fall short in scale, realism and do not capture the multimodal nature of OR scenes, limiting progress in OR modeling. To this end, we introduce MM-OR, a realistic and large-scale multimodal spatiotemporal OR dataset, and the first dataset to enable multimodal scene graph generation. MM-OR captures comprehensive OR scenes containing RGB-D data, detail views, audio, speech transcripts, robotic logs, and tracking data and is annotated with panoptic segmentations, semantic scene graphs, and downstream task labels. Further, we propose MM2SG, the first multimodal large vision-language model for scene graph generation, and through extensive experiments, demonstrate its ability to effectively leverage multimodal inputs. Together, MM-OR and MM2SG establish a new benchmark for holistic OR understanding, and open the path towards multimodal scene analysis in complex, high-stakes environments.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Generating realistic intermediate shapes between non-rigidly deformed shapes is a challenging task in computer vision, especially with unstructured data (e.g., point clouds) where temporal consistency across frames is lacking, and topologies are changing. Most interpolation methods are designed for structured data (i.e., meshes) and do not apply to real-world point clouds. In contrast, our approach, 4Deform, leverages neural implicit representation (NIR) to enable free topology changing shape deformation. Unlike previous mesh-based methods that learn vertex-based deformation fields, our method learns a continuous velocity field in Euclidean space. Thus, it is suitable for less structured data such as point clouds. Additionally, our method does not require intermediate-shape supervision during training; instead, we incorporate physical and geometrical constraints to regularize the velocity field. We reconstruct intermediate surfaces using a modified level-set equation, directly linking our NIR with the velocity field. Experiments show that our method significantly outperforms previous NIR approaches across various scenarios (e.g., noisy, partial, topology-changing, non-isometric shapes) and, for the first time, enables new applications like 4D Kinect sequence upsampling and real-world high-resolution mesh deformation.
The platonic representation hypothesis suggests that vision and language embeddings become more homogeneous as model and dataset sizes increase. In particular, pairwise distances within each modality become more similar. This suggests that as foundation models mature, it may become possible to match vision and language embeddings in a fully unsupervised fashion, i.e., without parallel data. We present the first study towards this prospect, and investigate conformity of existing vision and language foundation models in the context of ‘blind’ matching. First, we formulate unsupervised matching as a quadratic assignment problem and introduce a novel heuristic that outperforms previous solvers. We also develop a technique to find optimal matching problems, for which a non-trivial match is very likely. Second, we conduct an extensive study deploying a range of vision and language models on four datasets. Our analysis reveals that for many problem instances, vision and language representations can be indeed matched without supervision. This finding opens possibility for exciting applications embedding semantic knowledge into other modalities. As a showcase, we demonstrate a proof-of-concept unsupervised classifier, which achieves non-trivial classification accuracy without any image-text annotation.
Computer Vision & Artificial Intelligence
Estimating camera motion and intrinsics from casual videos is a core challenge in computer vision. Traditional bundle-adjustment based methods, such as SfM and SLAM, struggle to perform reliably on arbitrary data. Although specialized SfM approaches have been developed for handling dynamic scenes, they either require intrinsics or computationally expensive test-time optimization and often fall short in performance. Recently, methods like Dust3r have reformulated the SfM problem in a more data-driven way. While such techniques show promising results, they are still 1) not robust towards dynamic objects and 2) require labeled data for supervised training.As an alternative, we propose AnyCam, a fast transformer model that directly estimates camera poses and intrinsics from a dynamic video sequence in feed-forward fashion. Our intuition is that such a network can learn strong priors over realistic camera motions. To scale up our training, we rely on an uncertainty-based loss formulation and pre-trained depth and flow networks instead of motion or trajectory supervision. This allows us to use diverse, unlabelled video datasets obtained mostly from YouTube. Additionally, we ensure that the predicted trajectory does not accumulate drift over time through a lightweight trajectory refinement step. We test AnyCam on established datasets, where it delivers accurate camera poses and intrinsics both qualitatively and quantitatively. Furthermore, even with trajectory refinement, AnyCam is significantly faster than existing works for SfM in dynamic settings. Finally, by combining camera information, uncertainty, and depth, our model can produce high-quality 4D pointclouds in a feed-forward fashion.
Computer Vision & Artificial Intelligence
CLIP has shown impressive results in aligning images and texts at scale. However, its ability to capture detailed visual features remains limited because CLIP matches images and texts at a global level. To address this issue, we propose FLAIR, Fine-grained Language-informed Image Representations, an approach that utilizes long and detailed image descriptions to learn localized image embeddings. By sampling diverse sub-captions that describe fine-grained details about an image, we train our vision-language model to produce not only global embeddings but also text-specific image representations. Our model introduces text-conditioned attention pooling on top of local image tokens to produce fine-grained image representations that excel at retrieving detailed image content. We achieve state-of-the-art performance on both, existing multimodal retrieval benchmarks, as well as, our newly introduced fine-grained retrieval task which evaluates vision-language models’ ability to retrieve partial image content. Furthermore, our experiments demonstrate the effectiveness of FLAIR trained on 30M image-text pairs in capturing fine-grained visual information, including zero-shot semantic segmentation, outperforming models trained on billions of pairs.
Interpretable and Reliable Machine Learning
Interpretable and Reliable Machine Learning
Video understanding is a pivotal task in the digital era, yet the dynamic and multievent nature of videos makes them labor-intensive and computationally demanding to process. Thus, localizing a specific event given a semantic query has gained importance in both user-oriented applications like video search and academic research into video foundation models. A significant limitation in current research is that semantic queries are typically in natural language that depicts the semantics of the target event. This setting overlooks the potential for multimodal semantic queries composed of images and texts. To address this gap, we introduce a new benchmark, ICQ, for localizing events in videos with multimodal queries, along with a new evaluation dataset ICQ-Highlight. Our new benchmark aims to evaluate how well models can localize an event given a multimodal semantic query that consists of a reference image, which depicts the event, and a refinement text to adjust the images’ semantics. To systematically benchmark model performance, we include 4 styles of reference images and 5 types of refinement texts, allowing us to explore model performance across different domains. We propose 3 adaptation methods that tailor existing models to our new setting and evaluate 10 SOTA models, ranging from specialized to large-scale foundation models. We believe this benchmark is an initial step toward investigating multimodal queries in video event localization.
Large-scale multimodal representation learning successfully optimizes for zero-shot transfer at test time. Yet the standard pretraining paradigm (contrastive learning on large amounts of image-text data) does not explicitly encourage representations to support few-shot adaptation. In this work, we propose a simple, but carefully designed extension to multimodal pretraining which enables representations to accommodate additional context. Using this objective, we show that vision-language models can be trained to exhibit significantly increased few-shot adaptation: across 21 downstream tasks, we find up to four-fold improvements in test-time sample efficiency, and average few-shot adaptation gains of over 5%, while retaining zero-shot generalization performance across model scales and training durations. In particular, equipped with simple, training-free, metric-based adaptation mechanisms, our representations easily surpass more complex and expensive optimization-based schemes, vastly simplifying generalization to new domains.
tbd
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Browser extensions put millions of users at risk when misusing their elevated privileges. Despite the current practices of semi-automated code vetting, privacy-violating extensions still thrive in the official stores. We propose an approach for tracking contextual flows from browser-specific sensitive sources like cookies, browsing history, bookmarks, and search terms to suspicious network sinks through network requests. We demonstrate the effectiveness of the approach by a prototype called CodeX that leverages the power of CodeQL while breaking away from the conservativeness of bug-finding flavors of the traditional CodeQL taint analysis. Applying CodeX to the extensions published on the Chrome Web Store between March 2021 and March 2024 identified 1,588 extensions with risky flows. Manual verification of 339 of those extensions resulted in flagging 212 as privacy-violating, impacting up to 3.6M users.
Programming Languages and Artificial Intelligence
Deep learning still has drawbacks in terms of trustworthiness, which describes a comprehensible, fair, safe, and reliable method. To mitigate the potential risk of AI, clear obligations associated to trustworthiness have been proposed via regulatory guidelines, e.g., in the European AI Act. Therefore, a central question is to what extent trustworthy deep learning can be realized. Establishing the described properties constituting trustworthiness requires that the factors influencing an algorithmic computation can be retraced, i.e., the algorithmic implementation is transparent. Motivated by the observation that the current evolution of deep learning models necessitates a change in computing technology, we derive a mathematical framework which enables us to analyze whether a transparent implementation in a computing model is feasible. We exemplarily apply our trustworthiness framework to analyze deep learning approaches for inverse problems in digital and analog computing models represented by Turing and Blum-Shub-Smale Machines, respectively. Based on previous results, we find that Blum-Shub-Smale Machines have the potential to establish trustworthy solvers for inverse problems under fairly general conditions, whereas Turing machines cannot guarantee trustworthiness to the same degree.
Mathematical Foundations of Artificial Intelligence
Stationary distributions of multivariate diffusion processes have recently been proposed as probabilistic models of causal systems in statistics and machine learning. Motivated by these developments, we study stationary multivariate diffusion processes with a sparsely structured drift. Our main result gives a characterization of the conditional independence relations that hold in a stationary distribution. The result draws on a graphical representation of the drift structure and pertains to conditional independence relations that hold generally as a consequence of the drift’s sparsity pattern.
The first applications of eye tracking and eye-based human-computer interfaces mainly concentrated on making use of the eyes in traditional desktop settings. However, this changed in the last decade with a growth of interest in smart eyewear. With recent advances in low-cost mobile eye trackers, gaze-based techniques for mobile computing have become increasingly important. PETMEI 2025 focuses on the pervasive eye tracking paradigm as a trailblazer for mobile eye-based interaction and eye-based context-awareness. We want to stimulate and explore the creativity of these communities with respect to the implications, key research challenges, and new applications for pervasive eye tracking in ubiquitous computing. The long-term goal is to create a strong interdisciplinary research community linking these fields and establish the workshop as the premier forum for research on pervasive eye tracking.
Topological correctness, i.e., the preservation of structural integrity and specific characteristics of shape, is a fundamental requirement for medical imaging tasks, such as neuron or vessel segmentation. Despite the recent surge in topology-aware methods addressing this challenge, their real-world applicability is hindered by flawed benchmarking practices. In this paper, we identify critical pitfalls in model evaluation that include inadequate connectivity choices, overlooked topological artifacts in ground truth annotations, and inappropriate use of evaluation metrics. Through detailed empirical analysis, we uncover these issues’ profound impact on the evaluation and ranking of segmentation methods. Drawing from our findings, we propose a set of actionable recommendations to establish fair and robust evaluation standards for topology-aware medical image segmentation methods.
Skeletonization extracts thin representations from images that compactly encode their geometry and topology. These representations have become an important topological prior for preserving connectivity in curvilinear structures, aiding medical tasks like vessel segmentation. Existing compatible skeletonization algorithms face significant trade-offs: morphology-based approaches are computationally efficient but prone to frequent breakages, while topology-preserving methods require substantial computational resources.
We propose a novel framework for training iterative skeletonization algorithms with a learnable component. The framework leverages synthetic data, task-specific augmentation, and a model distillation strategy to learn compact neural networks that produce thin, connected skeletons with a fully differentiable iterative algorithm.
Our method demonstrates a 100 times speedup over topology-constrained algorithms while maintaining high accuracy and generalizing effectively to new domains without fine-tuning. Benchmarking and downstream validation in 2D and 3D tasks demonstrate its computational efficiency and real-world applicability.
Computer Aided Medical Procedures & Augmented Reality
Ultrasound (US) probe localization relative to the examined subject is essential for freehand 3D US imaging, which offers significant clinical value due to its affordability and unrestricted field of view. However, existing methods often rely on expensive tracking systems or bulky probes, while recent US image-based deep learning methods suffer from accumulated errors during probe maneuvering. To address these challenges, this study proposes a versatile, cost-effective probe pose localization method for freehand 3D US imaging, utilizing two lightweight cameras. To eliminate accumulated errors during US scans, we introduce PoseNet, which directly predicts the probe’s 6D pose relative to a preset world coordinate system based on camera observations. We first jointly train pose and camera image encoders based on pairs of 6D pose and camera observations densely sampled in simulation. This will encourage each pair of probe pose and its corresponding camera observation to share the same representation in latent space. To ensure the two encoders handle unseen images and poses effectively, we incorporate a triplet loss that enforces smaller differences in latent features between nearby poses compared to distant ones. Then, the pose decoder uses the latent representation of the camera images to predict the probe’s 6D pose. To bridge the sim-to-real gap, in the real world, we use the trained image encoder and pose decoder for initial predictions, followed by an additional MLP layer to refine the estimated pose, improving accuracy. The results obtained from an arm phantom demonstrate the effectiveness of the proposed method, which notably surpasses state-of-the-art techniques, achieving average positional and rotational errors of 2.03 mm and 0.37◦, respectively.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
tbd
Programming Languages and Artificial Intelligence
Programming Languages and Artificial Intelligence
Programming Languages and Artificial Intelligence
Generative AI (GenAI) is increasingly used in survey contexts to simulate human preferences. While many research endeavors evaluate the quality of synthetic GenAI data by comparing model-generated responses to gold-standard survey results, fundamental questions about the validity and reliability of using LLMs as substitutes for human respondents remain. Our study provides a technical analysis of how demographic attributes and prompt variations influence latent opinion mappings in large language models (LLMs) and evaluates their suitability for survey-based predictions. Using 14 different models, we find that LLM-generated data fails to replicate the variance observed in real-world human responses, particularly across demographic subgroups. In the political space, persona-to-party mappings exhibit limited differentiation, resulting in synthetic data that lacks the nuanced distribution of opinions found in survey data. Moreover, we show that prompt sensitivity can significantly alter outputs for some models, further undermining the stability and predictiveness of LLM-based simulations. As a key contribution, we adapt a probe-based methodology that reveals how LLMs encode political affiliations in their latent space, exposing the systematic distortions introduced by these models. Our findings highlight critical limitations in AI-generated survey data, urging caution in its use for public opinion research, social science experimentation, and computational behavioral modeling.
Besides classical feed-forward neural networks, also neural ordinary differential equations (neural ODEs) have gained particular interest in recent years. Neural ODEs can be interpreted as an infinite depth limit of feed-forward or residual neural networks. We study the input-output dynamics of finite and infinite depth neural networks with scalar output. In the finite depth case, the input is a state associated with a finite number of nodes, which maps under multiple non-linear transformations to the state of one output node. In analogy, a neural ODE maps an affine linear transformation of the input to an affine linear transformation of its time-T map. We show that depending on the specific structure of the network, the input-output map has different properties regarding the existence and regularity of critical points, which can be characterized via Morse functions. We prove that critical points cannot exist if the dimension of the hidden layer is monotonically decreasing or the dimension of the phase space is smaller or equal to the input dimension. In the case that critical points exist, we classify their regularity depending on the specific architecture of the network. We show that except for a Lebesgue measure zero set in the weight space, each critical point is non-degenerate, if for finite depth neural networks the underlying graph has no bottleneck, and if for neural ODEs, the affine linear transformations used have full rank. For each type of architecture, the proven properties are comparable in the finite and the infinite depth case. The established theorems allow us to formulate results on universal embedding, i.e., on the exact representation of maps by neural networks and neural ODEs. Our dynamical systems viewpoint on the geometric structure of the input-output map provides a fundamental understanding of why certain architectures perform better than others.
Multiscale and Stochastic Dynamics
We develop the theory linking ‘E-separation’ in directed mixed graphs (DMGs) with conditional independence relations among coordinate processes in stochastic differential equations (SDEs), where causal relationships are determined by ‘which variables enter the governing equation of which other variables’. We prove a global Markov property for cyclic SDEs, which naturally extends to partially observed cyclic SDEs, because our asymmetric independence model is closed under marginalization. We then characterize the class of graphs that encode the same set of independence relations, yielding a result analogous to the seminal ‘same skeleton and v-structures’ result for directed acyclic graphs (DAGs). In the fully observed case, we show that each such equivalence class of graphs has a greatest element as a parsimonious representation and develop algorithms to identify this greatest element from data. We conjecture that a greatest element also exists under partial observations, which we verify computationally for graphs with up to four nodes.
Ethics in Systems Design and Machine Learning
Ethics in Systems Design and Machine Learning
Over the past years, there has been significant interest in understanding the implicit bias of gradient descent optimization and its connection to the generalization properties of overparametrized neural networks. Several works observed that when training linear diagonal networks on the square loss for regression tasks (which corresponds to overparametrized linear regression) gradient descent converges to special solutions, e.g., non-negative ones. We connect this observation to Riemannian optimization and view overparametrized GD with identical initialization as a Riemannian GD. We use this fact for solving non-negative least squares (NNLS), an important problem behind many techniques, e.g., non-negative matrix factorization. We show that gradient flow on the reparametrized objective converges globally to NNLS solutions, providing convergence rates also for its discretized counterpart. Unlike previous methods, we do not rely on the calculation of exponential maps or geodesics. We further show accelerated convergence using a second-order ODE, lending itself to accelerated descent methods. Finally, we establish the stability against negative perturbations and discuss generalization to other constrained optimization problems.
Mathematical Data Science and Artificial Intelligence
Understanding the structure of neural network loss surfaces, particularly the emergence of low-loss tunnels, is critical for advancing neural network theory and practice. In this paper, we propose a novel approach to directly embed loss tunnels into the loss landscape of neural networks. Exploring the properties of these loss tunnels offers new insights into their length and structure and sheds light on some common misconceptions. We then apply our approach to Bayesian neural networks, where we improve subspace inference by identifying pitfalls and proposing a more natural prior that better guides the sampling procedure.
Statistics, Data Science and Machine Learning
Computational Statistics & Data Science
Statistics, Data Science and Machine Learning
Statistics, Data Science and Machine Learning
We study the problem of monitoring machine learning models under gradual distribution shifts, where circumstances change slowly over time, often leading to unnoticed yet significant declines in accuracy. To address this, we propose Incremental Uncertainty-aware Performance Monitoring (IUPM), a novel label-free method that estimates performance changes by modeling gradual shifts using optimal transport. In addition, IUPM quantifies the uncertainty in the performance prediction and introduces an active labeling procedure to restore a reliable estimate under a limited labeling budget. Our experiments show that IUPM outperforms existing performance estimation baselines in various gradual shift scenarios and that its uncertainty awareness guides label acquisition more effectively compared to other strategies.
Additive models (AMs) have sparked a lot of interest in machine learning recently, allowing the incorporation of interpretable structures into a wide range of model classes. Many commonly used approaches to fit a wide variety of potentially complex additive models build on the idea of boosting additive models. While boosted additive models (BAMs) work well in practice, certain theoretical aspects are still poorly understood, including general convergence behavior and what optimization problem is being solved when accounting for the implicit regularizing nature of boosting. In this work, we study the solution paths of BAMs and establish connections with other approaches for certain classes of problems. Along these lines, we derive novel convergence results for BAMs, which yield crucial insights into the inner workings of the method. While our results generally provide reassuring theoretical evidence for the practical use of BAMs, they also uncover some ‘pathologies’ of boosting for certain additive model classes concerning their convergence behavior that require caution in practice. We empirically validate our theoretical findings through several numerical experiments.
Statistics, Data Science and Machine Learning
Statistics, Data Science and Machine Learning
Up-to-date cadastral maps are vital to local governments in administrating real estate in cities. With its growing availability, remote sensing imagery is the cost-effective data for updating semantic contents on cadastral maps. In this study, we address the problem of updating buildings on cadastral maps, as city renewal is mainly characterized by new construction and demolition. While previous works focus on extracting all buildings from remote sensing images, we argue that these methods not only disregard preliminary information on cadastral maps but also fail to preserve building priors in unchanged areas on cadastral maps. Therefore, we focus on the task of extracting changed buildings (i.e., newly built and demolished buildings) from remote sensing images and cadastral maps. To address this task, we create an image-map building change detection (IMBCD) dataset, formed by around 27K pairs of remote sensing images and maps and their corresponding changed buildings in six distinct geographical areas across the globe. Accordingly, we propose a Bilateral Attention Network (BANet), introducing a novel attention mechanism: changed-first (CF) attention and non-changed-first (NCF) attention. This bilateral attention mechanism helps to refine the uncertain areas between changed and non-changed regions. Extensive experiments on our IMBCD dataset showcase the superior performance of BANet. Specifically, our BANet outperforms state-of-the-art models with F1 scores of 90.00% and 63.00% for the IMBCD-WHU and IMBCD-Inria datasets. This confirms that the leverage of bilateral attention blocks (BAB) can boost performance.
The landscape of neural network loss functions is known to be highly complex, and the ability of gradient-based approaches to find well-generalizing solutions to such high-dimensional problems is often considered a miracle. Similarly, Bayesian neural networks (BNNs) inherit this complexity through the model’s likelihood. In applications where BNNs are used to account for weight uncertainty, recent advantages in sampling-based inference (SAI) have shown promising results outperforming other approximate Bayesian inference (ABI) methods. In this work, we analyze the approximate posterior implicitly defined by SAI and uncover key insights into its success. Among other things, we demonstrate how SAI handles symmetries differently than ABI, and examine the role of overparameterization. Further, we investigate the characteristics of approximate posteriors with sampling budgets scaled far beyond previously studied limits and explain why the localized behavior of samplers does not inherently constitute a disadvantage.
Statistics, Data Science and Machine Learning
Statistics, Data Science and Machine Learning
Prior-fitted networks (PFNs) have emerged as promising foundation models for prediction from tabular data sets, achieving state-of-the-art performance on small to moderate data sizes without tuning. While PFNs are motivated by Bayesian ideas, they do not provide any uncertainty quantification for predictive means, quantiles, or similar quantities. We propose a principled and efficient method to construct Bayesian posteriors for such estimates based on Martingale Posteriors. Several simulated and real-world data examples are used to showcase the resulting uncertainty quantification of our method in inference applications.
Computational Statistics & Data Science
Statistics, Data Science and Machine Learning
Despite significant recent advances in probabilistic meta-learning, it is common for practitioners to avoid using deep learning models due to a comparative lack of interpretability. Instead, many practitioners simply use non-meta-models such as Gaussian processes with interpretable priors, and conduct the tedious procedure of training their model from scratch for each task they encounter. While this is justifiable for tasks with a limited number of data points, the cubic computational cost of exact Gaussian process inference renders this prohibitive when each task has many observations. To remedy this, we introduce a family of models that meta-learn sparse Gaussian process inference. Not only does this enable rapid prediction on new tasks with sparse Gaussian processes, but since our models have clear interpretations as members of the neural process family, it also allows manual elicitation of priors in a neural process for the first time. In meta-learning regimes for which the number of observed tasks is small or for which expert domain knowledge is available, this offers a crucial advantage.
The spread of harmful content online is a dynamic issue evolving over time. Existing detection models, reliant on static data, are becoming less effective and generalizable. Developing new models requires sufficient up-to-date data, which is challenging. A potential solution is to combine existing datasets with minimal new data. However, detection tasks vary—some focus on hate speech, offensive, or abusive content, which differ in the intent to harm, while others focus on identifying targets of harmful speech such as racism, sexism, etc—raising the challenge of handling nuanced class differences. To address these issues, we introduce a novel transfer learning method that leverages class-specific knowledge to enhance harmful
content detection. In our approach, we first present label-specific soft prompt tuning, which captures and represents class-level information. Secondly, we propose two approaches to transfer this fine-grained knowledge from source (existing tasks) to target (unseen and new tasks): initializing the target task prompts from source prompts and using an attention mechanism that learns and adjusts attention scores to utilize the most relevant information from source prompts. Experiments demonstrate significant improvements in harmful content detection across English and German datasets, highlighting the effectiveness of label-specific representations and knowledge transfer.
Data Analytics & Statistics
Crosswalks, which map one classification system to another, are critical tools for harmonizing data across time, countries, or frameworks. However, constructing crosswalks is labor-intensive and often requires domain expertise. This paper investigates the potential of Large Language Models (LLMs) to assist in creating crosswalks, focusing on two Danish occupational classification systems from different time periods as a case study. We propose a two-stage, prompt-based framework for this task, where LLMs perform similarity assessments between classification codes and identify final mappings through a guided decision process. Using four instruction-tuned LLMs and comparing them against an embedding-based baseline, we evaluate the performance of different models in crosswalks. Our results highlight the strengths of LLMs in crosswalk creation compared to the embedding-based baseline, showing the effectiveness of the interactive prompt-based framework for conducting crosswalks by LLMs. Furthermore, we analyze the impact of model combinations across two interactive rounds, highlighting the importance of model selection and consistency. This work contributes to the growing field of NLP applications for domain-specific knowledge mapping and demonstrates the potential of LLMs in advancing crosswalk methodologies.
Previous work has considered token overlap, or even similarity of token distributions, as predictors for multilinguality and cross-lingual knowledge transfer in language models. However, these very literal metrics assign large distances to language pairs with different scripts, which can nevertheless show good cross-linguality. This limits the explanatory strength of token overlap for knowledge transfer between language pairs that use distinct scripts or follow different orthographic conventions. In this paper, we propose subword token alignability as a new way to understand the impact and quality of multilingual tokenisation. In particular, this metric predicts multilinguality much better when scripts are disparate and the overlap of literal tokens is low. We analyse this metric in the context of both encoder and decoder models, look at data size as a potential distractor, and discuss how this insight may be applied to multilingual tokenisation in future work. We recommend our subword token alignability metric for identifying optimal language pairs for cross-lingual transfer, as well as to guide the construction of better multilingual tokenisers in the future. We publish our code and reproducibility details.
Data Analytics & Statistics
Recent studies have highlighted the potential of exploiting parallel corpora to enhance multilingual large language models, improving performance in both bilingual tasks, e.g., machine translation, and general-purpose tasks, e.g., text classification. Building upon these findings, our comprehensive study aims to identify the most effective strategies for leveraging parallel corpora. We investigate the impact of parallel corpora quality and quantity, training objectives, and model size on the performance of multilingual large language models enhanced with parallel corpora across diverse languages and tasks. Our analysis reveals several key insights: (i) filtering noisy translations is essential for effectively exploiting parallel corpora, while language identification and short sentence filtering have little effect; (ii) even a corpus containing just 10K parallel sentences can yield results comparable to those obtained from much larger datasets; (iii) employing only the machine translation objective yields the best results among various training objectives and their combinations; (iv) larger multilingual language models benefit more from parallel corpora than smaller models due to their stronger capacity for cross-task transfer. Our study offers valuable insights into the optimal utilization of parallel corpora to enhance multilingual large language models, extending the generalizability of previous findings from limited languages and tasks to a broader range of scenarios.
Recent studies indicate that leveraging off-the-shelf or fine-tuned retrievers, capable of retrieving relevant in-context examples tailored to the input query, enhances few-shot in-context learning of English. However, adapting these methods to other languages, especially low-resource ones, poses challenges due to the scarcity of cross-lingual retrievers and annotated data. Thus, we introduce XAMPLER: Cross-Lingual Example Retrieval, a method tailored to tackle the challenge of cross-lingual in-context learning using only annotated English data. XAMPLER first trains a retriever based on Glot500, a multilingual small language model, using positive and negative English examples constructed from the predictions of a multilingual large language model, i.e., MaLA500. Leveraging the cross-lingual capacity of the retriever, it can directly retrieve English examples as few-shot examples for in-context learning of target languages. Experiments on the multilingual text classification benchmark SIB200 with 176 languages show that XAMPLER substantially improves the in-context learning performance across languages.
While natural language processing tools have been developed extensively for some of the world’s languages, a significant portion of the world’s over 7000 languages are still neglected. One reason for this is that evaluation datasets do not yet cover a wide range of languages, including low-resource and endangered ones. We aim to address this issue by creating a text classification dataset encompassing a large number of languages, many of which currently have little to no annotated data available. We leverage parallel translations of the Bible to construct such a dataset by first developing applicable topics and employing a crowdsourcing tool to collect annotated data. By annotating the English side of the data and projecting the labels onto other languages through aligned verses, we generate text classification datasets for more than 1500 languages. We extensively benchmark several existing multilingual language models using our dataset. To facilitate the advancement of research in this area, we will release our dataset and code.
In the recent past, a popular way of evaluating natural language understanding (NLU), was to consider a model’s ability to perform natural language inference (NLI) tasks. In this paper, we investigate if NLI tasks, that are rarely used for LLM evaluation, can still be informative for evaluating LLMs. Focusing on five different NLI benchmarks across six models of different scales, we investigate if they are able to discriminate models of different size and quality and how their accuracies develop during training. Furthermore, we investigate the extent to which the softmax distributions of models align with human distributions in cases where statements are ambiguous or vague. Overall, our results paint a positive picture for the NLI tasks: we find that they are able to discriminate well between models at various stages of training, yet are not (all) saturated. Furthermore, we find that while the similarity of model distributions with human label distributions increases with scale, it is still much higher than the similarity between two populations of humans, making it a potentially interesting statistic to consider.
Large language models (LLMs) have demonstrated remarkable capabilities in natural language processing, yet their effectiveness in handling historical languages remains largely unexplored. This study examines the performance of open-source LLMs in part-of-speech (POS) tagging for Old Occitan, a historical language characterized by non-standardized orthography and significant diachronic variation. Through comparative analysis of two distinct corpora-hagiographical and medical texts-we evaluate how current models handle the inherent challenges of processing a low-resource historical language. Our findings demonstrate critical limitations in LLM performance when confronted with extreme orthographic and syntactic variability. We provide detailed error analysis and specific recommendations for improving model performance in historical language processing. This research advances our understanding of LLM capabilities in challenging linguistic contexts while offering practical insights for both computational linguistics and historical language studies.
Statistical Learning and Data Science
Statistical Learning and Data Science
There is increasing interest in looking at dialects in NLP. However, most work to date still treats dialects as discrete categories. For instance, evaluative work in variation-oriented NLP for English often works with Indian English or African-American Venacular English as homogeneous categories (Faisal et al., 2024; Ziems et al., 2023), yet even within one variety there is substantial variation. We examine within-dialect variation and show that performance critically varies within categories. We measure speech-to-text performance on Italian dialects, and empirically observe a geographical performance disparity. This disparity correlates substantially (-0.5) with linguistic similarity to the highest performing dialect variety. We cross-examine our results against dialectometry methods, and interpret the performance disparity to be due to a bias towards dialects that are more similar to the standard variety in the speech-to-text model examined. We additionally leverage geostatistical methods to predict zero-shot performance at unseen sites, and find the incorporation of geographical information to substantially improve prediction performance, indicating there to be geographical structure in the performance distribution.
Recent advances on instruction fine-tuning have led to the development of various prompting techniques for large language models, such as explicit reasoning steps. However, the success of techniques depends on various parameters, such as the task, language model, and context provided. Finding an effective prompt is, therefore, often a trial-and-error process. Most existing approaches to automatic prompting aim to optimize individual techniques instead of compositions of techniques and their dependence on the input. To fill this gap, we propose an adaptive prompting approach that predicts the optimal prompt composition ad-hoc for a given input. We apply our approach to social bias detection, a highly context-dependent task that requires semantic understanding. We evaluate it with three large language models on three datasets, comparing compositions to individual techniques and other baselines. The results underline the importance of finding an effective prompt composition. Our approach robustly ensures high detection performance, and is best in several settings. Moreover, first experiments on other tasks support its generalizability.
Artificial Intelligence and Machine Learning
This paper presents a federated learning system with differential privacy for hate speech detection, tailored to low-resource languages. By fine-tuning pre-trained language models, ALBERT emerged as the most effective option for balancing performance and privacy. Experiments demonstrated that federated learning with differential privacy performs adequately in low-resource settings, though datasets with fewer than 20 sentences per client struggled due to excessive noise. Balanced datasets and augmenting hateful data with non-hateful examples proved critical for improving model utility. These findings offer a scalable and privacy-conscious framework for integrating hate speech detection into social media platforms and browsers, safeguarding user privacy while addressing online harm.
Computational Linguistics
Hate speech on social media threatens the mental and physical well-being of individuals and contributes to real-world violence. Resharing is an important driver behind the spread of hate speech on social media. Yet, little is known about who reshares hate speech and what their characteristics are. In this paper, we analyze the role of user characteristics in hate speech resharing across different types of hate speech (e.g., political hate). For this, we proceed as follows: First, we cluster hate speech posts using large language models to identify different types of hate speech. Then we model the effects of user attributes on users’ probability to reshare hate speech using an explainable machine learning model. To do so, we apply debiasing to control for selection bias in our observational social media data and further control for the latent vulnerability of users to hate speech. We find that, all else equal, users with fewer followers, fewer friends, fewer posts, and older accounts share more hate speech. This shows that users with little social influence tend to share more hate speech. Further, we find substantial heterogeneity across different types of hate speech. For example, racist and misogynistic hate is spread mostly by users with little social influence. In contrast, political anti-Trump and anti-right-wing hate is reshared by users with larger social influence. Overall, understanding the factors that drive users to share hate speech is crucial for detecting individuals at risk of engaging in harmful behavior and for designing effective mitigation strategies.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Climate change projections for 2030 indicate a concerning increase in the frequency of floods, which is expected to result in significant economic damages and losses on a global scale. The growth of urbanization has indeed increased flood risk, highlighting the need for a prompt evaluation of economic losses to facilitate rapid response and effective reconstruction. However, providing timely and accurate economic damage assessment immediately after a flood event is difficult and associated with high uncertainty. Remote sensing data can support this task, but challenges such as cloud cover, infrequent return times from satellites, and the lack of ground truth data make supervised approaches challenging. To address these challenges, we propose a new economic damage assessment approach based on the analysis of multi-temporal and multi-source, Synthetic Aperture Radar (SAR) images before and after the flood peak with an unsupervised change detection method. This method utilizes computer vision techniques, specifically a pixel-based approach with SAR data (Sentinel-1 and TerraSAR-X/TanDEM-X) to monitor changes in buildings and the flood extension. It employs various threshold techniques and parameters to determine the optimal threshold values for highlighting changes and the presence of water. By using this method, our aim is to obtain an economic model based on pixels, which represents the volume of water surrounding or on each building and the flood extension. The purpose of this study is to support governments in decision-making processes and enable insurers to efficiently assess and compensate for damages caused by flood events.
This paper presents a comprehensive Systematization of Knowledge on tangible privacy and security interfaces (TaPSI). Tangible interfaces provide physical forms for digital interactions. They can offer significant benefits for privacy and security applications by making complex and abstract security concepts more intuitive, comprehensible, and engaging. Through a literature survey, we collected and analyzed 80 publications. We identified terminology used in these publications and addressed usable privacy and security domains, contributions, applied methods, implementation details, and opportunities or challenges inherent to TaPSI. Based on our findings, we define TaPSI and propose the TaPSI Research Framework, which guides future research by offering insights into when and how to conduct research on privacy and security involving TaPSI as well as a design space of TaPSI.
Integrating curious behavior traits into robots is essential for them to learn and adapt to new tasks over their lifetime and to enhance human-robot interaction. However, the effects of robots expressing curiosity on user perception, user interaction, and user experience in collaborative tasks are unclear. In this work, we present a Multimodal Large Language Model-based system that equips a robot with non-verbal and verbal curiosity traits. We conducted a user study (N=20) to investigate how these traits modulate the robot’s behavior and the users’ impressions of sociability and quality of interaction. Participants prepared cocktails or pizzas with a robot, which was either curious or non-curious. Our results show that we could create user-centric curiosity, which users perceived as more human-like, inquisitive, and autonomous while resulting in a longer interaction time. We contribute a set of design recommendations allowing system designers to take advantage of curiosity in collaborative tasks.
Perceptual similarity assessment plays an important role in processing visual information, which is often employed in Human-AI interaction tasks such as object recognition or content generation. It is important to understand how humans perceive and evaluate visual similarity to iteratively generate outputs that meet the users’ expectations better and better. By leveraging physiological signals, systems can rely on users’ EEG responses to support the similarity assessment process. We conducted a study (N=20), presenting diverse AI-generated images as stimuli and evaluating their semantic similarity to a target image while recording event-related potentials (ERPs). Our results show that the N400 component distinguishes low, medium, and high similarity of images, while the P2 component showed no significant impact, implying consistent early perceptual processing. Thus, we demonstrate that ERPs allow us to assess the users’ perceived visual similarity to support rapid interactions with human-AI systems.
In light of inherent trade-offs regarding fairness, privacy, interpretability and performance, as well as normative questions, the machine learning (ML) pipeline needs to be made accessible for public input, critical reflection and engagement of diverse stakeholders. In this work, we introduce a participatory approach to gather
input from the general public on the design of an ML pipeline. We show how people’s input can be used to navigate and constrain the multiverse of decisions during both model development and evaluation. We highlight that central design decisions should be democratized rather than “optimized” to acknowledge their critical impact on the system’s output downstream. We describe the iterative development of our approach and its exemplary implementation on a citizen science platform. Our results demonstrate how public participation can inform critical design decisions along the model-building pipeline and combat widespread lazy data practices.
Third parties track users’ web browsing activities, raising privacy concerns. Tracking protection extensions prevent this, but their influence on privacy protection beliefs shaped by narratives remains uncertain. This paper investigates users’ misperception of tracking protection offered by browser plugins. Our study explores how different narratives influence users’ perceived privacy protection by examining three tracking protection extension narratives: no protection, functional protection, and a placebo. In a study (N=36), participants evaluated their anticipated protection during a hotel
booking process, influenced by the narrative about the plugin’s functionality. However, participants viewed the same website without tracking protection adaptations. We show that users feel more protected when informed they use a functional or placebo extension, compared to no protection. Our findings highlight the deceptive nature of misleading privacy tools, emphasizing the need for greater transparency to prevent users from a false sense of protection, as such misleading tools negatively affect user study results.
Ubiquitous computing devices like Augmented Reality (AR) glasses allow countless spontaneous interactions – all serving different goals. AR devices rely on data transfer to personalize recommendations and adapt to the user. Today’s consent mechanisms, such as privacy policies, are suitable for long-lasting interactions; however, how users can consent to fast, spontaneous interactions is unclear. We first conducted two focus groups (N=17) to identify privacy-relevant scenarios in AR. We then conducted expert interviews (N=11) with co-design activities to establish effective consent mechanisms. Based on that, we contribute (1) a validated scenario taxonomy to define privacy-relevant AR interaction scenarios, (2) a flowchart to decide on the type of mechanisms considering contextual factors, (3) a design continuum and design aspects chart to create the mechanisms, and (4) a trade-off and prediction chart to evaluate the mechanism. Thus, we contribute a conceptual framework fostering a privacy-preserving future with AR.
Hubs are at the core of most smart homes. Modern cross-ecosystem protocols and standards enable smart home hubs to achieve interoperability across devices, offering the unique opportunity to integrate universally available smart home privacy awareness and control features. To date, such privacy features mainly focus on individual products or prototypical research artifacts. We developed a cross-ecosystem hub featuring a tangible dashboard and a digital web application to deepen our understanding of how smart home users interact with functional privacy features. The ecosystem allows users to control the connectivity states of their devices and raises awareness by visualizing device positions, states, and data flows. We deployed the ecosystem in six households for one week and found that it increased participants’ perceived control, awareness, and understanding of smart home privacy. We further found distinct differences between tangible and digital mechanisms. Our findings highlight the value of cross-ecosystem hubs for effective privacy management.
Corporations play a crucial role in mitigating climate change and accelerating progress toward environmental, social, and governance (ESG) objectives. However, structured information on the current state of corporate ESG efforts remains limited. In this paper, we propose a machine learning framework based on a retrieval-augmented generation (RAG) pipeline to track ESG indicators from N = 9, 200 corporate reports. Our analysis includes ESG indicators from 600 of the largest listed corporations in Europe between 2014 and 2023. We focus on two key dimensions: first, we identify gaps in corporate sustainability reporting in light of existing standards. Second, we provide comprehensive bottom-up estimates of key ESG indicators across European industries. Our findings enable policymakers and financial markets to effectively assess corporate ESG transparency and track progress toward global sustainability objectives.
Artificial Intelligence in Management
Artificial Intelligence in Management
Climate change is increasing the occurrence of extreme precipitation events, threatening infrastructure, agriculture, and public safety. Ensemble prediction systems provide probabilistic forecasts but exhibit biases and difficulties in capturing extreme weather. While post-processing techniques aim to enhance forecast accuracy, they rarely focus on precipitation, which exhibits complex spatial dependencies and tail behavior. Our novel framework leverages graph neural networks to post-process ensemble forecasts, specifically modeling the extremes of the underlying distribution. This allows to capture spatial dependencies and improves forecast accuracy for extreme events, thus leading to more reliable forecasts and mitigating risks of extreme precipitation and flooding.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
There is growing interest in extending average treatment effect (ATE) estimation to incorporate non-tabular data, such as images and text, which may act as sources of confounding. Neglecting these effects risks biased results and flawed scientific conclusions. However, incorporating non-tabular data necessitates sophisticated feature extractors, often in combination with ideas of transfer learning. In this work, we investigate how latent features from pre-trained neural networks can be leveraged to adjust for sources of confounding. We formalize conditions under which these latent features enable valid adjustment and statistical inference in ATE estimation, demonstrating results along the example of double machine learning. In this context, we also discuss critical challenges inherent to latent feature learning and downstream parameter estimation using those. As our results are agnostic to the considered data modality, they represent an important first step towards a theoretical foundation for the usage of latent representation from foundation models in ATE estimation.
Statistics, Data Science and Machine Learning
Statistics, Data Science and Machine Learning
Computational Statistics & Data Science
Markov Chain Monte Carlo (MCMC) algorithms are widely regarded as the gold standard for approximate inference in Bayesian neural networks (BNNs). However, they remain computationally expensive and prone to inefficiencies, such
as dying samplers, frequently leading to substantial waste of computational resources. While prior work has presented warmstarting techniques as an effective method to mitigate these inefficiencies, we provide a more comprehensive empirical analysis of how initializations of samplers affect their behavior. Based on various experiments examining the dynamics of warmstarting MCMC, we propose novel warmstarting strategies that leverage performance predictors and adaptive termination criteria to achieve better-performing, yet more cost-efficient, models. In numerical experiments, we demonstrate that this approach provides a practical pathway to more resource-efficient approximate inference in BNNs.
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Standard graph neural networks assign vastly different latent embeddings to graphs describing the same object at different resolution scales. This precludes consistency in applications and prevents generalization between scales as would fundamentally be needed e.g. in AI4Science. We uncover the underlying obstruction, investigate its origin and show how to overcome it by modifying the message passing paradigm.
Computer Vision & Artificial Intelligence
We discover a theoretical connection between explanation estimation and distribution compression that significantly improves the approximation of feature attributions, importance, and effects. While the exact computation of various machine learning explanations requires numerous model inferences and becomes impractical, the computational cost of approximation increases with an ever-increasing size of data and model parameters. We show that the standard i.i.d. sampling used in a broad spectrum of algorithms for post-hoc explanation leads to an approximation error worthy of improvement. To this end, we introduce Compress Then Explain (CTE), a new paradigm of sample-efficient explainability. It relies on distribution compression through kernel thinning to obtain a data sample that best approximates its marginal distribution. CTE significantly improves the accuracy and stability of explanation estimation with negligible computational overhead. It often achieves an on-par explanation approximation error 2-3x faster by using fewer samples, i.e. requiring 2-3x fewer model evaluations. CTE is a simple, yet powerful, plug-in for any explanation method that now relies on i.i.d. sampling.
Statistical Learning and Data Science
Statistical Learning and Data Science
Graph limit models, like graphons for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to the more powerful higher-order GNNs. First, we extend the -WL test for graphons (Böker, 2023) to the graphon-signal space and introduce signal-weighted homomorphism densities as a key tool. As an exemplary focus, we generalize Invariant Graph Networks (IGNs) to graphons, proposing Invariant Graphon Networks (IWNs) defined via a subset of the IGN basis corresponding to bounded linear operators. Even with this restricted basis, we show that IWNs of order are at least as powerful as the -WL test, and we establish universal approximation results for graphon-signals in distances. This significantly extends the prior work of Cai & Wang (2022), showing that IWNs—a subset of their IGN-small—retain effectively the same expressivity as the full IGN basis in the limit. In contrast to their approach, our blueprint of IWNs also aligns better with the geometry of graphon space, for example facilitating comparability to MPNNs. We highlight that, while typical higher-order GNNs are discontinuous w.r.t. cut distance—which causes their lack of convergence and is inherently tied to the definition of -WL—their transferability remains comparable to MPNNs.
Diffusion models break down the challenging task of generating data from high-dimensional distributions into a series of easier denoising steps. Inspired by this paradigm, we propose a novel approach that extends the diffusion framework into modality space, decomposing the complex task of RGB image generation into simpler, interpretable stages. Our method, termed ToddlerDiffusion, cascades modality-specific models, each responsible for generating an intermediate representation, such as contours, palettes, and detailed textures, ultimately culminating in a high-quality RGB image. Instead of relying on the naive LDM concatenation conditioning mechanism to connect the different stages together, we employ Schrödinger Bridge to determine the optimal transport between different modalities. Although employing a cascaded pipeline introduces more stages, which could lead to a more complex architecture, each stage is meticulously formulated for efficiency and accuracy, surpassing Stable-Diffusion (LDM) performance. Modality composition not only enhances overall performance but enables emerging proprieties such as consistent editing, interaction capabilities, high-level interpretability, and faster convergence and sampling rate. Extensive experiments on diverse datasets, including LSUN-Churches, ImageNet, CelebHQ, and LAION-Art, demonstrate the efficacy of our approach, consistently outperforming state-of-the-art methods. For instance, ToddlerDiffusion achieves notable efficiency, matching LDM performance on LSUN-Churches while operating 2× faster with a 3× smaller architecture.
The physics solvers employed for neural network training are primarily iterative, and hence, differentiating through them introduces a severe computational burden as iterations grow large. Inspired by works in bilevel optimization, we show that full accuracy of the network is achievable through physics significantly coarser than fully converged solvers. We propose Progressively Refined Differentiable Physics (PRDP), an approach that identifies the level of physics refinement sufficient for full training accuracy. By beginning with coarse physics, adaptively refining it during training, and stopping refinement at the level adequate for training, it enables significant compute savings without sacrificing network accuracy. Our focus is on differentiating iterative linear solvers for sparsely discretized differential operators, which are fundamental to scientific computing. PRDP is applicable to both unrolled and implicit differentiation. We validate its performance on a variety of learning scenarios involving differentiable physics solvers such as inverse problems, autoregressive neural emulators, and correction-based neural-hybrid solvers. In the challenging example of emulating the Navier-Stokes equations, we reduce training time by 62%.
Parameter Efficient FineTuning (PEFT) methods have recently gained extreme popularity thanks to the vast availability of large-scale models, allowing to quickly adapt pretrained models to downstream tasks with minimal computational costs. However, current additive finetuning methods such as LoRA show low robustness to prolonged training and hyperparameter choices, not allowing for optimal out-of-the-box usage. On the other hand, multiplicative and bounded approaches such as ETHER, even if providing higher robustness, only allow for extremely low-rank adaptations and are limited to a fixed-strength transformation, hindering the expressive power of the adaptation. In this work, we propose the DeLoRA finetuning method that first normalizes and then scales the learnable low-rank matrices, thus effectively bounding the transformation strength, which leads to increased hyperparameter robustness at no cost in performance. We show that this proposed approach effectively and consistently improves over popular PEFT methods by evaluating our method on two finetuning tasks, subject-driven image generation and LLM instruction tuning.
Interpretable and Reliable Machine Learning
Among all data augmentation techniques proposed so far, linear interpolation of training samples, also called Mixup, has found to be effective for a large panel of applications. Along with improved predictive performance, Mixup is also a good technique for improving calibration. However, mixing data carelessly can lead to manifold mismatch, i.e., synthetic data lying outside original class manifolds, which can deteriorate calibration. In this work, we show that the likelihood of assigning a wrong label with mixup increases with the distance between data to mix. To this end, we propose to dynamically change the underlying distributions of interpolation coefficients depending on the similarity between samples to mix, and define a flexible framework to do so without losing in diversity. We provide extensive experiments for classification and regression tasks, showing that our proposed method improves predictive performance and calibration of models, while being much more efficient.
Interpretable and Reliable Machine Learning
Current AI frameworks for brain decoding and encoding, typically train and test models within the same datasets. This limits their utility for brain computer interfaces (BCI) or neurofeedback, for which it would be useful to pool experiences across individuals to better simulate stimuli not sampled during training. A key obstacle to model generalisation is the degree of variability of inter-subject cortical organisation, which makes it difficult to align or compare cortical signals across participants. In this paper we address this through the use of surface vision transformers, which build a generalisable model of cortical functional dynamics, through encoding the topography of cortical networks and their interactions as a moving image across a surface. This is then combined with tri-modal self-supervised contrastive (CLIP) alignment of audio, video, and fMRI modalities to enable the retrieval of visual and auditory stimuli from patterns of cortical activity (and vice-versa). We validate our approach on 7T task-fMRI data from 174 healthy participants engaged in the movie-watching experiment from the Human Connectome Project (HCP). Results show that it is possible to detect which movie clips an individual is watching purely from their brain activity, even for individuals and movies not seen during training. Further analysis of attention maps reveals that our model captures individual patterns of brain activity that reflect semantic and visual systems. This opens the door to future personalised simulations of brain function.
Handling long-context inputs is crucial for large language models (LLMs) in tasks such as extended conversations, document summarization, and many-shot in-context learning. While recent approaches have extended the context windows of LLMs and employed perplexity (PPL) as a standard evaluation metric, PPL has proven unreliable for assessing long-context capabilities. The underlying cause of this limitation has remained unclear. In this work, we provide a comprehensive explanation for this issue. We find that PPL overlooks key tokens, which are essential for long-context understanding, by averaging across all tokens and thereby obscuring the true performance of models in long-context scenarios. To address this, we propose textbf{LongPPL}, a novel metric that focuses on key tokens by employing a long-short context contrastive method to identify them. Our experiments demonstrate that LongPPL strongly correlates with performance on various long-context benchmarks (e.g., Pearson correlation of -0.96), significantly outperforming traditional PPL in predictive accuracy. Additionally, we introduce textbf{LongCE} (Long-context Cross-Entropy) loss, a re-weighting strategy for fine-tuning that prioritizes key tokens, leading to consistent improvements across diverse benchmarks. In summary, these contributions offer deeper insights into the limitations of PPL and present effective solutions for accurately evaluating and enhancing the long-context capabilities of LLMs.
Estimating heterogeneous treatment effects (HTEs) over time is crucial in many disciplines such as personalized medicine. For example, electronic health records are commonly collected over several time periods and then used to personalize treatment decisions. Existing works for this task have mostly focused on model-based learners (i.e., learners that adapt specific machine-learning models). In contrast, model-agnostic learners – so-called meta-learners – are largely unexplored. In our paper, we propose several meta-learners that are model-agnostic and thus can be used in combination with arbitrary machine learning models (e.g., transformers) to estimate HTEs over time. Here, our focus is on learners that can be obtained via weighted pseudo-outcome regressions, which allows for efficient estimation by targeting the treatment effect directly. We then provide a comprehensive theoretical analysis that characterizes the different learners and that allows us to offer insights into when specific learners are preferable. Finally, we confirm our theoretical insights through numerical experiments. In sum, while meta-learners are already state-of-the-art for the static setting, we are the first to propose a comprehensive set of meta-learners for estimating HTEs in the time-varying setting.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Albeit the ubiquitous use of Graph Neural Networks (GNNs) in machine learning (ML) prediction tasks involving graph-structured data, their interpretability remains challenging. In explainable artificial intelligence (XAI), the Shapley Value (SV) is the predominant method to quantify contributions of individual features to a ML model’s output. Addressing the limitations of SVs in complex prediction models, Shapley Interactions (SIs) extend the SV to groups of features. In this work, we explain single graph predictions of GNNs with SIs that quantify node contributions and interactions among multiple nodes. By exploiting the GNN architecture, we show that the structure of interactions in node embeddings are preserved for graph prediction. As a result, the exponential complexity of SIs depends only on the receptive fields, i.e. the message-passing ranges determined by the connectivity of the graph and the number of convolutional layers. Based on our theoretical results, we introduce GraphSHAP-IQ, an efficient approach to compute any-order SIs exactly. GraphSHAP-IQ is applicable to popular message passing techniques in conjunction with a linear global pooling and output layer. We showcase that GraphSHAP-IQ substantially reduces the exponential complexity of computing exact SIs on multiple benchmark datasets. Beyond exact computation, we evaluate GraphSHAP-IQ’s approximation of SIs on popular GNN architectures and compare with existing baselines. Lastly, we visualize SIs of real-world water distribution networks and molecule structures using a SI-Graph.
Artificial Intelligence and Machine Learning
Pre-trained large language models (LLMs) have been reliably integrated with visual input for multimodal tasks. The widespread adoption of instruction-tuned image-to-text vision-language assistants (VLAs) like LLaVA and InternVL necessitates evaluating gender biases. We study gender bias in 22 popular open-source VLAs with respect to personality traits, skills, and occupations. Our results show that VLAs replicate human biases likely present in the data, such as real-world occupational imbalances. Similarly, they tend to attribute more skills and positive personality traits to women than to men, and we see a consistent tendency to associate negative personality traits with men. To eliminate the gender bias in these models, we find that finetuning-based debiasing methods achieve the best tradeoff between debiasing and retaining performance on downstream tasks. We argue for pre-deploying gender bias assessment in VLAs and motivate further development of debiasing strategies to ensure equitable societal outcomes.
Interpretable and Reliable Machine Learning
Interpretable and Reliable Machine Learning
Patient trajectories from electronic health records are widely used to predict potential outcomes of treatments over time, which then allows to personalize care. Yet, existing neural methods for this purpose have a key limitation: while some adjust for time-varying confounding, these methods assume that the time series are recorded in discrete time. In other words, they are constrained to settings where measurements and treatments are conducted at fixed time steps, even though this is unrealistic in medical practice. In this work, we aim to predict potential outcomes in continuous time. The latter is of direct practical relevance because it allows for modeling patient trajectories where measurements and treatments take place at arbitrary, irregular timestamps. We thus propose a new method called stabilized continuous time inverse propensity network (SCIP-Net). For this, we further derive stabilized inverse propensity weights for robust prediction of the potential outcomes. To the best of our knowledge, our SCIP-Net is the first neural method that performs proper adjustments for time-varying confounding in continuous time.
Artificial Intelligence in Management
Artificial Intelligence in Management
Accurately estimating the informativeness of individual samples in a dataset is an important objective in deep learning, as it can guide sample selection, which can improve model efficiency and accuracy by removing redundant or potentially harmful samples. We propose Laplace Sample Information (LSI) measure of sample informativeness grounded in information theory widely applicable across model architectures and learning settings. LSI leverages a Bayesian approximation to the weight posterior and the KL divergence to measure the change in the parameter distribution induced by a sample of interest from the dataset. We experimentally show that LSI is effective in ordering the data with respect to typicality, detecting mislabeled samples, measuring class-wise informativeness, and assessing dataset difficulty. We demonstrate these capabilities of LSI on image and text data in supervised and unsupervised settings. Moreover, we show that LSI can be computed efficiently through probes and transfers well to the training of large models.
Georgios Kaissis
Dr.
* Former Member
Sparse regularization techniques are well-established in machine learning, yet their application in neural networks remains challenging due to the non-differentiability of penalties like the L1 norm, which is incompatible with stochastic gradient descent. A promising alternative is shallow weight factorization, where weights are decomposed into two factors, allowing for smooth optimization of L1-penalized neural networks by adding differentiable L2 regularization to the factors. In this work, we introduce deep weight factorization, extending previous shallow approaches to more than two factors. We theoretically establish equivalence of our deep factorization with non-convex sparse regularization and analyze its impact on training dynamics and optimization. Due to the limitations posed by standard training practices, we propose a tailored initialization scheme and identify important learning rate requirements necessary for training factorized networks. We demonstrate the effectiveness of our deep weight factorization through experiments on various architectures and datasets, consistently outperforming its shallow counterpart and widely used pruning methods.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based models on a simple, fixed prior complicates the generative process since the data and prior distributions differ significantly. We introduce TSFlow, a conditional flow matching (CFM) model for time series combining Gaussian processes, optimal transport paths, and data-dependent prior distributions. By incorporating (conditional) Gaussian processes, TSFlow aligns the prior distribution more closely with the temporal structure of the data, enhancing both unconditional and conditional generation. Furthermore, we propose conditional prior sampling to enable probabilistic forecasting with an unconditionally trained model. In our experimental evaluation on eight real-world datasets, we demonstrate the generative capabilities of TSFlow, producing high-quality unconditional samples. Finally, we show that both conditionally and unconditionally trained models achieve competitive results across multiple forecasting benchmarks.
Data Analytics & Machine Learning
Self-supervised learning (SSL) approaches have brought tremendous success across many tasks and domains. It has been argued that these successes can be attributed to a link between SSL and identifiable representation learning: Temporal structure and auxiliary variables ensure that latent representations are related to the true underlying generative factors of the data. Here, we deepen this connection and show that SSL can perform system identification in latent space. We propose DynCL, a framework to uncover linear, switching linear and non-linear dynamics under a non-linear observation model, give theoretical guarantees and validate them empirically.
Fine-tuned large language models (LLMs) often exhibit overconfidence, particularly when trained on small datasets, resulting in poor calibration and inaccurate uncertainty estimates. Evidential Deep Learning (EDL), an uncertainty-aware approach, enables uncertainty estimation in a single forward pass, making it a promising method for calibrating fine-tuned LLMs. However, despite its computational efficiency, EDL is prone to overfitting, as its training objective can result in overly concentrated probability distributions. To mitigate this, we propose regularizing EDL by incorporating an information bottleneck (IB). Our approach IB-EDL suppresses spurious information in the evidence generated by the model and encourages truly predictive information to influence both the predictions and uncertainty estimates. Extensive experiments across various fine-tuned LLMs and tasks demonstrate that IB-EDL outperforms both existing EDL and non-EDL approaches. By improving the trustworthiness of LLMs, IB-EDL facilitates their broader adoption in domains requiring high levels of confidence calibration.
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Statistical Learning and Data Science
Adapting foundation models for specific purposes has become a standard approach to build machine learning systems for downstream applications. Yet, it is an open question which mechanisms take place during adaptation. Here we develop a new Sparse Autoencoder (SAE) for the CLIP vision transformer, named PatchSAE, to extract interpretable concepts at granular levels (e.g., shape, color, or semantics of an object) and their patch-wise spatial attributions. We explore how these concepts influence the model output in downstream image classification tasks and investigate how recent state-of-the-art prompt-based adaptation techniques change the association of model inputs to these concepts. While activations of concepts slightly change between adapted and non-adapted models, we find that the majority of gains on common adaptation tasks can be explained with the existing concepts already present in the non-adapted foundation model. This work provides a concrete framework to train and use SAEs for Vision Transformers and provides insights into explaining adaptation mechanisms.
Topological correctness plays a critical role in many image segmentation tasks, yet most networks are trained using pixel-wise loss functions, such as Dice, neglecting topological accuracy. Existing topology-aware methods often lack robust topological guarantees, are limited to specific use cases, or impose high computational costs. In this work, we propose a novel, graph-based framework for topologically accurate image segmentation that is both computationally efficient and generally applicable. Our method constructs a component graph that fully encodes the topological information of both the prediction and ground truth, allowing us to efficiently identify topologically critical regions and aggregate a loss based on local neighborhood information. Furthermore, we introduce a strict topological metric capturing the homotopy equivalence between the union and intersection of prediction-label pairs. We formally prove the topological guarantees of our approach and empirically validate its effectiveness on binary and multi-class datasets. Our loss demonstrates state-of-the-art performance with up to fivefold faster loss computation compared to persistent homology methods.
Inferring the causal structure underlying stochastic dynamical systems from observational data holds great promise in domains ranging from science and health to finance. Such processes can often be accurately modeled via stochastic differential equations (SDEs), which naturally imply causal relationships via ‘which variables enter the differential of which other variables’. In this paper, we develop conditional independence (CI) constraints on coordinate processes over selected intervals that are Markov with respect to the acyclic dependence graph (allowing self-loops) induced by a general SDE model. We then provide a sound and complete causal discovery algorithm, capable of handling both fully and partially observed data, and uniquely recovering the underlying or induced ancestral graph by exploiting time directionality assuming a CI oracle. Finally, to make our algorithm practically usable, we also propose a flexible, consistent signature kernel-based CI test to infer these constraints from data. We extensively benchmark the CI test in isolation and as part of our causal discovery algorithms, outperforming existing approaches in SDE models and beyond.
Ethics in Systems Design and Machine Learning
Ethics in Systems Design and Machine Learning
We analyze the universality and generalization of graph neural networks (GNNs) on attributed graphs, i.e., with node attributes. To this end, we propose pseudometrics over the space of all attributed graphs that describe the fine-grained expressivity of GNNs. Namely, GNNs are both Lipschitz continuous with respect to our pseudometrics and can separate attributed graphs that are distant in the metric. Moreover, we prove that the space of all attributed graphs is relatively compact with respect to our metrics. Based on these properties, we prove a universal approximation theorem for GNNs and generalization bounds for GNNs on any data distribution of attributed graphs. The proposed metrics compute the similarity between the structures of attributed graphs via a hierarchical optimal transport between computation trees. Our work extends and unites previous approaches which either derived theory only for graphs with no attributes, derived compact metrics under which GNNs are continuous but without separation power, or derived metrics under which GNNs are continuous and separate points but the space of graphs is not relatively compact, which prevents universal approximation and generalization analysis.
Machine learning models are highly vulnerable to label flipping, i.e., the adversarial modification (poisoning) of training labels to compromise performance. Thus, deriving robustness certificates is important to guarantee that test predictions remain unaffected and to understand worst-case robustness behavior. However, for Graph Neural Networks (GNNs), the problem of certifying label flipping has so far been unsolved. We change this by introducing an exact certification method, deriving both sample-wise and collective certificates. Our method leverages the Neural Tangent Kernel (NTK) to capture the training dynamics of wide networks enabling us to reformulate the bilevel optimization problem representing label flipping into a Mixed-Integer Linear Program (MILP). We apply our method to certify a broad range of GNN architectures in node classification tasks. Thereby, concerning the worst-case robustness to label flipping: (i) we establish hierarchies of GNNs on different benchmark graphs; (ii) quantify the effect of architectural choices such as activations, depth and skip-connections; and surprisingly, (iii) uncover a novel phenomenon of the robustness plateauing for intermediate perturbation budgets across all investigated datasets and architectures. While we focus on GNNs, our certificates are applicable to sufficiently wide NNs in general through their NTK. Thus, our work presents the first exact certificate to a poisoning attack ever derived for neural networks, which could be of independent interest.
Theoretical Foundations of Artificial Intelligence
In this work, we introduce the first unsupervised method that simultaneously predicts time-varying neural implicit surfaces and deformations between pairs of point clouds. We propose to model the point movement using an explicit velocity field and directly deform a time-varying implicit field using the modified level-set equation. This equation utilizes an iso-surface evolution with Eikonal constraints in a compact formulation, ensuring the integrity of the signed distance field. By applying a smooth, volume-preserving constraint to the velocity field, our method successfully recovers physically plausible intermediate shapes. Our method is able to handle both rigid and non-rigid deformations without any intermediate shape supervision. Our experimental results demonstrate that our method significantly outperforms existing works, delivering superior results in both quality and efficiency.
The problem of symbolic regression (SR) arises in many different applications, such as identifying physical laws or deriving mathematical equations describing the behavior of financial markets from given data. Various methods exist to address the problem of SR, often based on genetic programming. However, these methods are usually complicated and involve various hyperparameters. In this paper, we present our new approach ParFam that utilizes parametric families of suitable symbolic functions to translate the discrete symbolic regression problem into a continuous one, resulting in a more straightforward setup compared to current state-of-the-art methods. In combination with a global optimizer, this approach results in a highly effective method to tackle the problem of SR. We theoretically analyze the expressivity of ParFam and demonstrate its performance with extensive numerical experiments based on the common SR benchmark suit SRBench, showing that we achieve state-of-the-art results. Moreover, we present an extension incorporating a pre-trained transformer network DL-ParFam to guide ParFam, accelerating the optimization process by up to two magnitudes.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Patient data is widely used to estimate heterogeneous treatment effects and understand the effectiveness and safety of drugs. Yet, patient data includes highly sensitive information that must be kept private. In this work, we aim to estimate the conditional average treatment effect (CATE) from observational data under differential privacy. Specifically, we present DP-CATE, a novel framework for CATE estimation that is doubly robust and ensures differential privacy of the estimates. For this, we build upon non-trivial tools from semi-parametric and robust statistics to exploit the connection between privacy and model robustness. Our framework is highly general and applies to any two-stage CATE meta-learner with a Neyman-orthogonal loss function. It can be used with all machine learning models employed for nuisance estimation. We further provide an extension of DP-CATE where we employ RKHS regression to release the complete doubly robust CATE function while ensuring differential privacy. We demonstrate the effectiveness of DP-CATE across various experiments using synthetic and real-world datasets. To the best of our knowledge, we are the first to provide a framework for CATE estimation that is doubly robust and differentially private.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
State-of-the-art Denoising Diffusion Probabilistic Models (DDPMs) rely on an expensive sampling process with a large Number of Function Evaluations (NFEs) to provide high-fidelity predictions. This computational bottleneck renders diffusion models less appealing as surrogates for the spatio-temporal prediction of physics-based problems with long rollout horizons. We propose Truncated Sampling Models, enabling single-step and few-step sampling with elevated fidelity by simple truncation of the diffusion process, reducing the gap between DDPMs and deterministic single-step approaches. We also introduce a novel approach, Iterative Refinement, to sample pre-trained DDPMs by reformulating the generative process as a refinement process with few sampling steps. Both proposed methods enable significant improvements in accuracy compared to DDPMs, DDIMs, and EDMs with NFEs 10 on a diverse set of experiments, including incompressible and compressible turbulent flow and airfoil flow uncertainty simulations. Our proposed methods provide stable predictions for long rollout horizons in time-dependent problems and are able to learn all modes of the data distribution in steady-state problems with high uncertainty.
Despite recent advances, sampling-based inference for Bayesian Neural Networks (BNNs) remains a significant challenge in probabilistic deep learning. While sampling-based approaches do not require a variational distribution assumption, current state-of-the-art samplers still struggle to navigate the complex and highly multimodal posteriors of BNNs. As a consequence, sampling still requires considerably longer inference times than non-Bayesian methods even for small neural networks, despite recent advances in making software implementations more efficient. Besides the difficulty of finding high-probability regions, the time until samplers provide sufficient exploration of these areas remains unpredictable. To tackle these challenges, we introduce an ensembling approach that leverages strategies from optimization and a recently proposed sampler called Microcanonical Langevin Monte Carlo (MCLMC) for efficient, robust and predictable sampling performance. Compared to approaches based on the state-of-the-art No-U-Turn Sampler, our approach delivers substantial speedups up to an order of magnitude, while maintaining or improving predictive performance and uncertainty quantification across diverse tasks and data modalities. The suggested Microcanonical Langevin Ensembles and modifications to MCLMC additionally enhance the method’s predictability in resource requirements, facilitating easier parallelization. All in all, the proposed method offers a promising direction for practical, scalable inference for BNNs.
Statistics, Data Science and Machine Learning
Statistics, Data Science and Machine Learning
Canonicalization, a popular method for generating invariant or equivariant function classes from arbitrary function sets, involves initial data projection onto a reduced input space subset, followed by applying any learning method to the projected dataset. Despite recent research on the expressive power and continuity of functions represented by canonicalization, its generalization capabilities remain less explored. This paper addresses this gap by theoretically examining the generalization benefits and sample complexity of canonicalization, comparing them with group averaging, another popular technique for creating invariant or equivariant function classes. Our findings reveal two distinct regimes where canonicalization may outperform or underperform compared to group averaging, with precise quantification of this phase transition in terms of sample size, group action characteristics, and a newly introduced concept of alignment. To the best of our knowledge, this study represents the first theoretical exploration of such behavior, offering insights into the relative effectiveness of canonicalization and group averaging under varying conditions.
Learning disentangled representations from unlabelled data is a fundamental challenge in machine learning. Solving it may unlock other problems, such as generalization, interpretability, or fairness. Although remarkably challenging to solve in theory, disentanglement is often achieved in practice through prior matching. Furthermore, recent works have shown that prior matching approaches can be enhanced by leveraging geometrical considerations, e.g., by learning representations that preserve geometric features of the data, such as distances or angles between points. However, matching the prior while preserving geometric features is challenging, as a mapping that fully preserves these features while aligning the data distribution with the prior does not exist in general. To address these challenges, we introduce a novel approach to disentangled representation learning based on quadratic optimal transport. We formulate the problem using Gromov-Monge maps that transport one distribution onto another with minimal distortion of predefined geometric features, preserving them as much as can be achieved. To compute such maps, we propose the Gromov-Monge-Gap (GMG), a regularizer quantifying whether a map moves a reference distribution with minimal geometry distortion. We demonstrate the effectiveness of our approach for disentanglement across four standard benchmarks, outperforming other methods leveraging geometric considerations.
Constructing confidence intervals (CIs) for the average treatment effect (ATE) from patient records is crucial to assess the effectiveness and safety of drugs. However, patient records typically come from different hospitals, thus raising the question of how multiple observational datasets can be effectively combined for this purpose. In our paper, we propose a new method that estimates the ATE from multiple observational datasets and provides valid CIs. Our method makes little assumptions about the observational datasets and is thus widely applicable in medical practice. The key idea of our method is that we leverage prediction-powered inferences and thereby essentially `shrink’ the CIs so that we offer more precise uncertainty quantification as compared to naïve approaches. We further prove the unbiasedness of our method and the validity of our CIs. We confirm our theoretical results through various numerical experiments. Finally, we provide an extension of our method for constructing CIs from combinations of experimental and observational datasets.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Masked transformer models for class-conditional image generation have become a compelling alternative to diffusion models. Typically comprising two stages - an initial VQGAN model for transitioning between latent space and image space, and a subsequent Transformer model for image generation within latent space - these frameworks offer promising avenues for image synthesis. In this study, we present two primary contributions: Firstly, an empirical and systematic examination of VQGANs, leading to a modernized VQGAN. Secondly, a novel embedding-free generation network operating directly on bit tokens - a binary quantized representation of tokens with rich semantics. The first contribution furnishes a transparent, reproducible, and high-performing VQGAN model, enhancing accessibility and matching the performance of current state-of-the-art methods while revealing previously undisclosed details. The second contribution demonstrates that embedding-free image generation using bit tokens achieves a new state-of-the-art FID of 1.52 on the ImageNet 256x256 benchmark, with a compact generator model of mere 305M parameters.
Deep learning models often suffer from a lack of interpretability due to polysemanticity, where individual neurons are activated by multiple unrelated semantics, resulting in unclear attributions of model behavior. Recent advances in monosemanticity, where neurons correspond to consistent and distinct semantics, have significantly improved interpretability but are commonly believed to compromise accuracy. In this work, we challenge the prevailing belief of the accuracy-interpretability tradeoff, showing that monosemantic features not only enhance interpretability but also bring concrete gains in model performance. Across multiple robust learning scenarios-including input and label noise, few-shot learning, and out-of-domain generalization-our results show that models leveraging monosemantic features significantly outperform those relying on polysemantic features. Furthermore, we provide empirical and theoretical understandings on the robustness gains of feature monosemanticity. Our preliminary analysis suggests that monosemanticity, by promoting better separation of feature representations, leads to more robust decision boundaries. This diverse evidence highlights the generality of monosemanticity in improving model robustness. As a first step in this new direction, we embark on exploring the learning benefits of monosemanticity beyond interpretability, supporting the long-standing hypothesis of linking interpretability and robustness.
Model merging combines multiple expert models finetuned from a base foundation model on diverse tasks and domains into a single, more capable model. However, most existing model merging approaches assume that all experts are available simultaneously. In reality, new tasks and domains emerge progressively over time, requiring strategies to integrate the knowledge of expert models as they become available: a process we call temporal model merging. The temporal dimension introduces unique challenges not addressed in prior work, raising new questions such as: when training for a new task, should the expert model start from the merged past experts or from the original base model? Should we merge all models at each time step? Which merging techniques are best suited for temporal merging? Should different strategies be used to initialize the training and deploy the model? To answer these questions, we propose a unified framework called TIME (Temporal Integration of Model Expertise) which defines temporal model merging across three axes: (1) initialization, (2) deployment, and (3) merging technique. Using TIME, we study temporal model merging across model sizes, compute budgets, and learning horizons on the FoMo-in-Flux benchmark. Our comprehensive suite of experiments across TIME allows us to build a better understanding of current challenges and best practices for effective temporal model merging.
Standard graph neural networks assign vastly different latent embeddings to graphs describing the same physical system at different resolution scales. This precludes consistency in applications and prevents generalization between scales as would fundamentally be needed in many scientific applications. We uncover the underlying obstruction, investigate its origin and show how to overcome it.
Computer Vision & Artificial Intelligence
While current large language models (LLMs) demonstrate some capabilities in knowledge-intensive tasks, they are limited by relying on their parameters as an implicit storage mechanism. As a result, they struggle with infrequent knowledge and temporal degradation. In addition, the uninterpretable nature of parametric memorization makes it challenging to understand and prevent hallucination. Parametric memory pools and model editing are only partial solutions. Retrieval Augmented Generation (RAG) – though non-parametric – has its own limitations: it lacks structure, complicates interpretability and makes it hard to effectively manage stored knowledge. In this paper, we introduce MemLLM, a novel method of enhancing LLMs by integrating a structured and explicit read-and-write memory module. MemLLM tackles the aforementioned challenges by enabling dynamic interaction with the memory and improving the LLM’s capabilities in using stored knowledge. Our experiments indicate that MemLLM enhances the LLM’s performance and interpretability, in language modeling in general and knowledge-intensive tasks in particular. We see MemLLM as an important step towards making LLMs more grounded and factual through memory augmentation.
Computational Linguistics
The correct way to quantify predictive uncertainty in neural networks remains a topic of active discussion. In particular, it is unclear whether the state-of-the art entropy decomposition leads to a meaningful representation of model, or epistemic, uncertainty (EU) in the light of a debate that pits ignorance against disagreement perspectives. We aim to reconcile the conflicting viewpoints by arguing that both are valid but arise from different learning situations. Notably, we show that the presence of shortcuts is decisive for EU manifesting as disagreement.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
A core component of modern large language models is the attention mechanism, but its immense parameter count necessitates structured sparsity for resource-efficient optimization and inference. Traditional sparsity penalties, such as the group lasso, are non-smooth and thus incompatible with standard stochastic gradient descent methods. To address this, we propose a deep gating mechanism that reformulates the structured sparsity penalty into a fully differentiable optimization problem, allowing effective and principled norm-based group sparsification without requiring specialized non-smooth optimizers. Our theoretical analysis and empirical results demonstrate that this approach enables structured sparsity with simple stochastic gradient descent or variants while maintaining predictive performance.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
The weights of neural networks (NNs) have recently gained prominence as a new data modality in machine learning, with applications ranging from accuracy and hyperparameter prediction to representation learning or weight generation. One approach to leverage NN weights involves training autoencoders (AEs), using contrastive and reconstruction losses. This allows such models to be applied to a wide variety of downstream tasks, and they demonstrate strong predictive performance and low reconstruction error. However, despite the low reconstruction error, these AEs reconstruct NN models with deteriorated performance compared to the original ones, limiting their usability with regard to model weight generation. In this paper, we identify a limitation of weight-space AEs, specifically highlighting that a structural loss, that uses the Euclidean distance between original and reconstructed weights, fails to capture some features critical for reconstructing high-performing models. We analyze the addition of a behavioral loss for training AEs in weight space, where we compare the output of the reconstructed model with that of the original one, given some common input. We show a strong synergy between structural and behavioral signals, leading to increased performance in all downstream tasks evaluated, in particular NN weights reconstruction and generation.
Applied Statistics in Social Sciences, Economics and Business
World models achieved great success in learning the dynamics from both low-dimensional and high-dimensional states. Yet, there is no existing work to address multi-step generation task with high dimensional data. In this paper, we propose the first action-conditioned multi-frame video generation model, advancing world
model development by generating future states from actions. As opposed to recent single-step or autoregressive approaches, our model directly generates multiple future frames conditioned on past observations and action sequences. Our framework extends its capabilities to action-conditioned video generation by introducing an action encoder. This addition enables the spatiotemporal variational autoencoder and diffusion transformer in Open-Sora to effectively incorporate action information, ensuring precise and coherent video generation. We evaluated performance on Atari environments (Breakout, Pong, DemonAttack) using MSE, PSNR, and LPIPS. Results show that conditioning solely on future actions and embedding-based encoding improve generation accuracy and perceptual quality while capturing complex temporal dependencies like inertia. Our work paves the way for action-conditioned multi-step generative world models in dynamic environment.
Perturbation-based explanations are widely utilized to enhance the transparency of modern machine-learning models. However, their reliability is often compromised by the unknown model behavior under the specific perturbations used. This paper investigates the relationship between uncertainty calibration - the alignment of model confidence with actual accuracy - and perturbation-based explanations. We show that models frequently produce unreliable probability estimates when subjected to explainability-specific perturbations and theoretically prove that this directly undermines explanation quality. To address this, we introduce ReCalX, a novel approach to recalibrate models for improved perturbation-based explanations while preserving their original predictions. Experiments on popular computer vision models demonstrate that our calibration strategy produces explanations that are more aligned with human perception and actual object locations.
Purpose: This study aims to provide an AI tool for detecting nerves in ultrasound images to help diagnose Hansen’s disease (Leprosy) in rural areas. The significant difference in the cross-sectional area (CSA) of superficial nerves in symmetrical extremities is a landmark in the early stages of the disease. Despite its potential, ultrasound nerve evaluation is limited due to the difficulty in accurately identifying nerves in ultrasound images.
Methodology: We propose the first Leprosy video nerve segmentation pipeline based on YOLOv8 and X-Mem architectures to automate frame detection, segmentation, and label propagation. We ensure alignment with clinical practices and evaluate the inference in real time of the method and its energy efficiency, confirming the approach’s feasibility in resource-limited settings.
Results: We establish a baseline for nerve segmentation of ultrasound Leprosy videos, presenting the first results to identify relevant frames, segment, and propagate labels. To support further research, we have open source a new leprosy test dataset and created a demo web page to try our method on real patient data. This initiative aims to promote research on AI techniques to improve healthcare in rural communities, where healthcare professionals are scarce and assistance is essential.
Geo-tagged tweets collected at the building level has patterns that aid in building function classification. However, this data source suffers from substantial noise, limiting its effectiveness. Conducting a systematic noise analysis requires a noise-free environment, which is difficult to obtain from real-world data. In this study, we propose an approach using an LLM-generated synthetic oracle dataset that contains only correctly assigned tweets aligned with their respective buildings. To make the dataset reflects real-world distributions, we use a data generation pipeline that integrates data attributes from real world into LLM prompts. To evaluate the utility of the synthetic dataset for noise analysis, we compare the performance of Naïve Bayes (NB) and mBERT classifiers on it against real-world noisy data. Additionally, we assess the dataset’s diversity by comparing Self-BLEU and perplexity scores against those of real-world datasets. Our findings reveal that while noise significantly disrupts mBERT’s contextual learning, its removal in the synthetic dataset enables mBERT to substantially outperform NB. This highlights that noise reduction is more effective than increasing model complexity for context-dependent text classification tasks. Moreover, despite reduced noise and sentence structure variations, the synthetic dataset preserves realistic linguistic characteristics. These results confirm that a synthetic oracle dataset provides an effective noise-free experimental environment for studying noise impact in text classification.
In this paper, we study the problem of recovering two unknown signals from their convolution, which is commonly referred to as blind deconvolution. Reformulation of blind deconvolution as a low-rank recovery problem has led to multiple theoretical recovery guarantees in the past decade due to the success of the nuclear norm minimization heuristic. In particular, in the absence of noise, exact recovery has been established for sufficiently incoherent signals contained in lower-dimensional subspaces. However, if the convolution is corrupted by additive bounded noise, the stability of the recovery problem remains much less understood. In particular, existing reconstruction bounds involve large dimension factors and therefore fail to explain the empirical evidence for dimension-independent robustness of nuclear norm minimization. Recently, theoretical evidence has emerged for ill-posed behavior of low-rank matrix recovery for sufficiently small noise levels. In this work, we develop improved recovery guarantees for blind deconvolution with adversarial noise which exhibit square-root scaling in the noise level. Hence, our results are consistent with existing counterexamples which speak against linear scaling in the noise level as demonstrated for related low-rank matrix recovery problems.
Under the mounting pressure from global warming, green roofs emerge as a valuable source for climate adaptation, particularly in compact metropolises where green space is limited. Consequently, there is a need to quantitatively evaluate the potential for roof greening where it is most needed and suitable. Despite the increasing importance of this issue, there have been limited studies on the effectiveness of remote sensing and deep learning in identifying the potential for roof greening in many cities. To address this, we have created a GreenRoof dataset, comprising approximately 6400 pairs of remote sensing images and corresponding masks of roofs with high greening potential in four European cities. Afterward, we exploit the capabilities of deep learning methods to identify roofs that are suitable for greening from remote sensing images. Using 15 German cities as a case study for future urban rooftop planning, we estimate the spatial potential for retrofitting green roofs. Structural parameters for prioritizing green roof implementation include vegetation coverage, thermal environment, and building density. Results indicate that the total area suitable for green roof retrofitting exceeds 20% of the roof area in the 15 German cities examined. The spatial analysis effectively reflects variation in demand and suitability for green roof retrofitting across different cities. In conclusion, this study provides a versatile screening approach utilizing remote sensing, deep learning, and spatial analysis, which can be readily adapted to inform municipal policies in other cities aiming to promote green roofs and enhance sustainable urban development.
Investors are continuously seeking profitable investment opportunities in startups and, hence, for effective decision-making, need to predict a startup’s probability of success. Nowadays, investors can use not only various fundamental information about a startup (e.g., the age of the startup, the number of founders, and the business sector) but also textual description of a startup’s innovation and business model, which is widely available through online venture capital (VC) platforms such as Crunchbase. To support the decision-making of investors, we develop a machine learning approach with the aim of locating successful startups on VC platforms. Specifically, we develop, train, and evaluate a tailored, fused large language model to predict startup success. Thereby, we assess to what extent self-descriptions on VC platforms are predictive of startup success. Using 20,172 online profiles from Crunchbase, we find that our fused large language model can predict startup success, with textual self-descriptions being responsible for a significant part of the predictive power. Our work provides a decision support tool for investors to find profitable investment opportunities.
Artificial Intelligence in Management
Artificial Intelligence in Management
Purpose: To compare the contrast media opacification and diagnostic quality in lower-extremity runoff CT angiography (CTA) between bolus-tracking using conventional fixed trigger delay and patient-specific individualized post-trigger delay.
Methods: In this prospective study, lower-extremity runoff CTA was performed in two cohorts, using either fixed or individualized trigger delay. Both cohorts had identical CT protocols, contrast media applications, and image reconstructions. Objective image quality (mean contrast opacification in HU), and subjective image quality (5-point Likert-scale), were assessed in six vessels: abdominal aorta (AA), common iliac artery (CIA), superficial femoral artery (SFA), popliteal artery (PA), posterior tibial artery (PTA), and dorsalis pedis artery (DPA) by one rater for objective and two raters for subjective image quality. Objective image quality was analyzed using Student t-tests, while subjective ratings were compared with Fisher’s exact test.
Results: Overall, 65 patients were included (mean age: 71 ± 14; 39 men), 35 in the individualized cohort and 30 in the fixed cohort. No differences were found between the groups regarding demographics or radiation exposure. Individualized trigger delay ranged from 2 to 23 s (mean: 8.7 ± 4.0 s) and was 10 s in the fixed cohort. The individualized cohort showed higher opacification in the peripheral arteries (PTA: 479 ± 140 HU vs. 379 ± 106 HU; p = 0.009; DPA: 477 ± 191 HU vs. 346 ± 137 HU; p = 0.009). Overall subjective “image quality” was rated higher in the individualized group (“excellent” or “good” in Rater 1: 97% vs. 57%; p < 0.001; and Rater 2: 89% vs. 53%; p = 0.002).
Conclusion: Individualized post-trigger delay enhances diagnostic quality, by improving vessel opacification in peripheral arteries and increasing subjective image quality in lower extremity runoff CTA.
This scoping review paper redefines the Artificial Intelligence-based Internet of Things (AIoT) driven Human Activity Recognition (HAR) field by systematically extrapolating from various application domains to deduce potential techniques and algorithms. We distill a general model with adaptive learning and optimization mechanisms by conducting a detailed analysis of human activity types and utilizing contact or non-contact devices. It presents various system integration mathematical paradigms driven by multimodal data fusion, covering predictions of complex behaviors and redefining valuable methods, devices, and systems for HAR. Additionally, this paper establishes benchmarks for behavior recognition across different application requirements, from simple localized actions to group activities. It summarizes open research directions, including data diversity and volume, computational limitations, interoperability, real-time recognition, data security, and privacy concerns. Finally, we aim to serve as a comprehensive and foundational resource for researchers delving into the complex and burgeoning realm of AIoT-enhanced HAR, providing insights and guidance for future innovations and developments.
Medical ultrasound has been widely used to examine vascular structure in modern clinical practice. However, traditional ultrasound examination often faces challenges related to inter- and intra-operator variation. The robotic ultrasound system (RUSS) appears as a potential solution for such challenges because of its superiority in stability and reproducibility. Given the complex anatomy of human vasculature, multiple vessels often appear in ultrasound images, or a single vessel bifurcates into branches, complicating the examination process. To tackle this challenge, this work presents a gaze-guided RUSS for vascular applications. A gaze tracker captures the eye movements of the operator. The extracted gaze signal guides the RUSS to follow the correct vessel when it bifurcates. Additionally, a gaze-guided segmentation network is proposed to enhance segmentation robustness by exploiting gaze information. However, gaze signals are often noisy, requiring interpretation to accurately discern the operator’s true intentions. To this end, this study proposes a stabilization module to process raw gaze data. The inferred attention heatmap is utilized as a region proposal to aid segmentation and serve as a trigger signal when the operator needs to adjust the scanning target, such as when a bifurcation appears. To ensure appropriate contact between the probe and surface during scanning, an automatic ultrasound confidence-based orientation correction method is developed. In experiments, we demonstrated the efficiency of the proposed gaze-guided segmentation pipeline by comparing it with other methods. Besides, the performance of the proposed gaze-guided RUSS was also validated as a whole on a realistic arm phantom with an uneven surface.
Computer Aided Medical Procedures & Augmented Reality
Mental disorders have increased rapidly and have emerged as a serious social health issue in the recent decade. Undoubtedly, the timely treatment of mental disorders is crucial. Emotion regulation has been proven to be an effective method for treating mental disorders. Music therapy as one of the methods that can achieve emotional regulation has gained increasing attention in the field of mental disorder treatment. However, traditional music therapy methods still face some unresolved issues, such as the lack of real-time capability and the inability to form closed-loop systems. With the advancement of artificial intelligence (AI), especially AI-generated content (AIGC), AI-based music therapy holds promise in addressing these issues. In this paper, an AIGC-based closed-loop music intervention system demonstration is proposed to regulate emotions for mental disorder treatment. This system demonstration consists of an emotion recognition model and a music generation model. The emotion recognition model can assess mental states, while the music generation model generates the corresponding emotional music for regulation. The system continuously performs recognition and regulation, thus forming a closed-loop process. In the experiment, we first conduct experiments on both the emotion recognition model and the music generation model to validate the accuracy of the recognition model and the music quality generated by the music generation models. In conclusion, we conducted comprehensive tests on the entire system to verify its feasibility and effectiveness.
With the development of affective computing and Artificial Intelligence (AI) technologies, Electroencephalogram (EEG)-based depression detection methods have been widely proposed. However, existing studies have mostly focused on the accuracy of depression recognition, ignoring the association between features and models. Additionally, there is a lack of research on the contribution of different features to depression recognition. To this end, this study introduces an innovative approach to depression detection using EEG data, integrating Ant-Lion Optimization (ALO) and Multi-Agent Reinforcement Learning (MARL) for feature fusion analysis. The inclusion of Explainable Artificial Intelligence (XAI) methods enhances the explainability of the model’s features. The Time-Delay Embedded Hidden Markov Model (TDE-HMM) is employed to infer internal brain states during depression, triggered by audio stimulation. The ALO-MARL algorithm, combined with hyper-parameter optimization of the XGBoost classifier, achieves high accuracy (93.69%), sensitivity (88.60%), specificity (97.08%), and F1-score (91.82%) on a auditory stimulus-evoked three-channel EEG dataset. The results suggest that this approach outperforms state-of-the-art feature selection methods for depression recognition on this dataset, and XAI elucidates the critical impact of the minimum value of Power Spectral Density (PSD), Sample Entropy (SampEn), and Réenyi Entropy (Ren) on depression recognition. The study also explores dynamic brain state transitions revealed by audio stimuli, providing insights for the clinical application of AI algorithms in depression recognition.
Cardiovascular diseases (CVD) can be diagnosed using various diagnostic modalities. The electrocardiogram (ECG) is a cost-effective and widely available diagnostic aid that provides functional information of the heart. However, its ability to classify and spatially localise CVD is limited. In contrast, cardiac magnetic resonance (CMR) imaging provides detailed structural information of the heart and thus enables evidence-based diagnosis of CVD, but long scan times and high costs limit its use in clinical routine. In this work, we present a deep learning strategy for cost-effective and comprehensive cardiac screening solely from ECG. Our approach combines multimodal contrastive learning with masked data modelling to transfer domain-specific information from CMR imaging to ECG representations. In extensive experiments using data from 40,044 UK Biobank subjects, we demonstrate the utility and generalisability of our method for subject-specific risk prediction of CVD and the prediction of cardiac phenotypes using only ECG data. Specifically, our novel multimodal pre-training paradigm improves performance by up to 12.19% for risk prediction and 27.59% for phenotype prediction. In a qualitative analysis, we demonstrate that our learned ECG representations incorporate information from CMR image regions of interest.
Despite significant progress in 3D medical image segmentation using deep learning, manual annotation remains a labor-intensive bottleneck. Self-supervised mask propagation (SMP) methods have emerged to alleviate this challenge, allowing intra-volume segmentation with just a single slice annotation. However, the previous SMP methods often rely on 2D information and ignore volumetric contexts. While our previous work, called Vol2Flow, attempts to address this concern, it exhibits limitations, including not focusing enough on local (i.e., slice-pair) information, neglecting global information (i.e., volumetric contexts) in the objective function, and error accumulation during slice-to-slice reconstruction. This paper introduces Flow2Mask, a novel SMP method, developed to overcome the limitations of previous SMP approaches, particularly Vol2Flow. During training, Flow2Mask proposes the Local-to-Global (L2G) loss to learn inter-slice flow fields among all consecutive slices within a volume in an unsupervised manner. This dynamic loss is based on curriculum learning to gradually learn information within a volume from local to global contexts. Additionally, the Inter-Slice Smoothness (ISS) loss is introduced as a regularization term to encourage changes between the slices occur consistently and continuously. During inference, Flow2Mask leverages these 3D flow fields for inter-slice mask propagation in a 3D image, spreading annotation from a single annotated slice to the entire volume. Moreover, we propose an automatic strategy to select the most representative slice as initial annotation in the mask propagation process. Experimental evaluations on different abdominal datasets demonstrate that our proposed SMP method outperforms previous approaches and improves the overall mean DSC of Vol2Flow by +2.1%, +8.2%, and +4.0% for the Sliver, CHAOS, and 3D-IRCAD datasets, respectively. Furthermore, Flow2Mask even exhibits substantial improvements in weakly-supervised and self-supervised few-shot segmentation methods when applied as a mask completion tool.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Event-based keypoint detection and matching holds significant potential, enabling the integration of event sensors into highly optimized Visual SLAM systems developed for frame cameras over decades of research. Unfortunately, existing approaches struggle with the motion-dependent appearance of keypoints and the complex noise prevalent in event streams, resulting in severely limited feature matching capabilities and poor performance on downstream tasks. To mitigate this problem, we propose SuperEvent, a data-driven approach to predict stable keypoints with expressive descriptors. Due to the absence of event datasets with ground truth keypoint labels, we leverage existing frame-based keypoint detectors on readily available event-aligned and synchronized gray-scale frames for self-supervision: we generate temporally sparse keypoint pseudo-labels considering that events are a product of both scene appearance and camera motion. Combined with our novel, information-rich event representation, we enable SuperEvent to effectively learn robust keypoint detection and description in event streams. Finally, we demonstrate the usefulness of SuperEvent by its integration into a modern sparse keypoint and descriptor-based SLAM framework originally developed for traditional cameras, surpassing the state-of-the-art in event-based SLAM by a wide margin.
Machine Learning for Robotics
Additive feature explanations rely primarily on game-theoretic notions such as the Shapley value by viewing features as cooperating players. The Shapley value’s popularity in and outside of explainable AI stems from its axiomatic uniqueness. However, its computational complexity severely limits practicability. Most works investigate the uniform approximation of all features’ Shapley values, needlessly consuming samples for insignificant features. In contrast, identifying the k most important features can already be sufficiently insightful and yields the potential to leverage algorithmic opportunities connected to the field of multi-armed bandits. We propose Comparable Marginal Contributions Sampling (CMCS), a method for the top-k identification problem utilizing a new sampling scheme taking advantage of correlated observations. We conduct experiments to showcase the efficacy of our method in compared to competitive baselines. Our empirical findings reveal that estimation quality for the approximate-all problem does not necessarily transfer to top-k identification and vice versa.
Artificial Intelligence and Machine Learning
Systematic generalization refers to the capacity to understand and generate novel combinations from known components. Despite recent progress by large language models (LLMs) across various domains, these models often fail to extend their knowledge to novel compositional scenarios, revealing notable limitations in systematic generalization. There has been an ongoing debate about whether neural networks possess the capacity for systematic generalization, with recent studies suggesting that meta-learning approaches designed for compositionality can significantly enhance this ability. However, these insights have largely been confined to linguistic problems, leaving their applicability to other tasks an open question. In this study, we extend the approach of meta-learning for compositionality to the domain of abstract spatial reasoning. To this end, we introduce SYGAR-a dataset designed to evaluate the capacity of models to systematically generalize from known geometric transformations (e.g., translation, rotation) of two-dimensional objects to novel combinations of these transformations (e.g., translation+rotation). Our results show that a transformer-based encoder-decoder model, trained via meta-learning for compositionality, can systematically generalize to previously unseen transformation compositions, significantly outperforming state-of-the-art LLMs, including o3-mini, GPT-4o, and Gemini 2.0 Flash, which fail to exhibit similar systematic behavior. Our findings highlight the effectiveness of meta-learning in promoting systematicity beyond linguistic tasks, suggesting a promising direction toward more robust and generalizable models.
AI and Computational Linguistics
Computer Vision & Artificial Intelligence
Sparse Autoencoders (SAEs) have recently been shown to enhance interpretability and steerability in Large Language Models (LLMs). In this work, we extend the application of SAEs to Vision-Language Models (VLMs), such as CLIP, and introduce a comprehensive framework for evaluating monosemanticity in vision representations. Our experimental results reveal that SAEs trained on VLMs significantly enhance the monosemanticity of individual neurons while also exhibiting hierarchical representations that align well with expert-defined structures (e.g., iNaturalist taxonomy). Most notably, we demonstrate that applying SAEs to intervene on a CLIP vision encoder, directly steer output from multimodal LLMs (e.g., LLaVA) without any modifications to the underlying model. These findings emphasize the practicality and efficacy of SAEs as an unsupervised approach for enhancing both the interpretability and control of VLMs.
Interpretable and Reliable Machine Learning
Interpretable and Reliable Machine Learning
We present finite-range embeddings (FiRE), a novel wave function ansatz for accurate large-scale ab-initio electronic structure calculations. Compared to contemporary neural-network wave functions, FiRE reduces the asymptotic complexity of neural-network variational Monte Carlo (NN-VMC) by ∼nel, the number of electrons. By restricting electron-electron interactions within the neural network, FiRE accelerates all key operations – sampling, pseudopotentials, and Laplacian computations – resulting in a real-world 10× acceleration in now-feasible 180-electron calculations. We validate our method’s accuracy on various challenging systems, including biochemical compounds, conjugated hydrocarbons, and organometallic compounds. On these systems, FiRE’s energies are consistently within chemical accuracy of the most reliable data, including experiments, even in cases where high-accuracy methods such as CCSD(T), AFQMC, or contemporary NN-VMC fall short. With these improvements in both runtime and accuracy, FiRE represents a new `gold-standard’ method for fast and accurate large-scale ab-initio calculations, potentially enabling new computational studies in fields like quantum chemistry, solid-state physics, and material design.
Multilingual language models (MLMs) store factual knowledge across languages but often struggle to provide consistent responses to semantically equivalent prompts in different languages. While previous studies point out this cross-lingual inconsistency issue, the underlying causes remain unexplored. In this work, we use mechanistic interpretability methods to investigate cross-lingual inconsistencies in MLMs. We find that MLMs encode knowledge in a language-independent concept space through most layers, and only transition to language-specific spaces in the final layers. Failures during the language transition often result in incorrect predictions in the target language, even when the answers are correct in other languages. To mitigate this inconsistency issue, we propose a linear shortcut method that bypasses computations in the final layers, enhancing both prediction accuracy and cross-lingual consistency. Our findings shed light on the internal mechanisms of MLMs and provide a lightweight, effective strategy for producing more consistent factual outputs.
Finding deletion-correcting codes of maximum size has been an open problem for over 70 years, even for a single deletion. In this paper, we propose a novel approach for constructing deletion-correcting codes. A code is a set of sequences satisfying certain constraints, and we construct it by greedily adding the highest-priority sequence according to a priority function. To find good priority functions, we leverage FunSearch, a large language model (LLM)-guided evolutionary search proposed by Romera et al., 2024. FunSearch iteratively generates, evaluates, and refines priority functions to construct large deletion-correcting codes. For a single deletion, our evolutionary search finds functions that construct codes which match known maximum sizes, reach the size of the largest (conjectured optimal) Varshamov-Tenengolts codes where the maximum is unknown, and independently rediscover them in equivalent form. For two deletions, we find functions that construct codes with new best-known sizes for code lengths ( n = 12, 13 ), and ( 16 ), establishing improved lower bounds. These results demonstrate the potential of LLM-guided search for information theory and code design and represent the first application of such methods for constructing error-correcting codes.
Machine Learning and Information Processing
Recent works on the global place recognition treat the task as a retrieval problem, where an off-the-shelf global descriptor is commonly designed in image-based and LiDAR-based modalities. However, it is non-trivial to perform accurate image-LiDAR global place recognition since extracting consistent and robust global descriptors from different domains (2D images and 3D point clouds) is challenging. To address this issue, we propose a novel Voxel-Cross-Pixel (VXP) approach, which establishes voxel and pixel correspondences in a self-supervised manner and brings them into a shared feature space. Specifically, VXP is trained in a two-stage manner that first explicitly exploits local feature correspondences and enforces similarity of global descriptors. Extensive experiments on the three benchmarks (Oxford RobotCar, ViViD++ and KITTI) demonstrate our method surpasses the state-of-the-art cross-modal retrieval by a large margin.
Computer Vision & Artificial Intelligence
Reconstructing scenes and tracking motion are two sides of the same coin. Tracking points allow for geometric reconstruction [14], while geometric reconstruction of (dynamic) scenes allows for 3D tracking of points over time [24, 39]. The latter was recently also exploited for 2D point tracking to overcome occlusion ambiguities by lifting tracking directly into 3D [38]. However, above approaches either require offline processing or multi-view camera setups both unrealistic for real-world applications like robot navigation or mixed reality. We target the challenge of online 2D and 3D point tracking from unposed monocular camera input introducing Dynamic Online Monocular Reconstruction (DynOMo). We leverage 3D Gaussian splatting to reconstruct dynamic scenes in an online fashion. Our approach extends 3D Gaussians to capture new content and object motions while estimating camera movements from a single RGB frame. DynOMo stands out by enabling emergence of point trajectories through robust image feature reconstruction and a novel similarity-enhanced regularization term, without requiring any correspondence-level supervision. It sets the first baseline for online point tracking with monocular unposed cameras, achieving performance on par with existing methods. We aim to inspire the community to advance online point tracking and reconstruction, expanding the applicability to diverse real-world scenarios.
Computer Vision & Artificial Intelligence
The interest in matching non-rigidly deformed shapes represented as raw point clouds is rising due to the proliferation of low-cost 3D sensors. Yet, the task is challenging since point clouds are irregular and there is a lack of intrinsic shape information. We propose to tackle these challenges by learning a new shape representation – a per-point high dimensional embedding, in an embedding space where semantically similar points share similar embeddings. The learned embedding has multiple beneficial properties: it is aware of the underlying shape geometry and is robust to shape deformations and various shape artefacts, such as noise and partiality. Consequently, this embedding can be directly employed to retrieve high-quality dense correspondences through a simple nearest neighbor search in the embedding space. Extensive experiments demonstrate new state-of-the-art results and robustness in numerous challenging non-rigid shape matching benchmarks and show its great potential in other shape analysis tasks, such as segmentation.
We present EchoScene, an interactive and controllable generative model that generates 3D indoor scenes on scene graphs. EchoScene leverages a dual-branch diffusion model that dynamically adapts to scene graphs. Existing methods struggle to handle scene graphs due to varying numbers of nodes, multiple edge combinations, and manipulator-induced node-edge operations. EchoScene overcomes this by associating each node with a denoising process and enables collaborative information exchange, enhancing controllable and consistent generation aware of global constraints. This is achieved through an information echo scheme in both shape and layout branches. At every denoising step, all processes share their denoising data with an information exchange unit that combines these updates using graph convolution. The scheme ensures that the denoising processes are influenced by a holistic understanding of the scene graph, facilitating the generation of globally coherent scenes. The resulting scenes can be manipulated during inference by editing the input scene graph and sampling the noise in the diffusion model. Extensive experiments validate our approach, which maintains scene controllability and surpasses previous methods in generation fidelity. Moreover, the generated scenes are of high quality and thus directly compatible with off-the-shelf texture generation. Code and trained models are open-sourced.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
We present a flexible modelling approach to analyse time-varying exposures and recurrent events in team sports injuries. The approach is based on the piece-wise exponential additive mixed model where the effects of past exposures (i.e. high-intensity training loads) may accumulate over time and present complex forms of association. In order to identify a relevant time window at which past exposures have an impact on the current risk, we propose a penalty approach. We conduct a simulation study to evaluate the performance of the proposed model, under different true weight functions and different levels of heterogeneity between recurrent events. Finally, we illustrate the approach with a case study application involving an elite male football team participating in the Spanish LaLiga competition. The cohort includes time-loss injuries and external training load variables tracked by Global Positioning System devices, during the seasons 2017–2018 and 2018–2019.
Machine Learning Consulting Unit (MLCU)
Bias-preserving methods in fairness-aware machine learning (fairML) focus on metrics that prioritize formal equality by balancing error rates across subgroups. These methods can perpetuate historical discrimination embedded in real-world data. In contrast, bias-transforming methods aim for substantive equality by actively addressing historical inequalities. As a contribution to bias-transforming methods, we introduce the concept of privilege scores, a novel approach to identifying and quantifying individual privilege in machine learning tasks. Privilege scores use causal inference techniques to compare real-world outcomes to those in a ‘fair’ world in which the protected attributes do not influence the target variable. This individual-level perspective provides actionable insights for applications such as affirmative action and beyond. Key contributions include (1) the formalization of privilege scores, (2) a methodological framework for estimation with uncertainty quantification via confidence intervals, (3) an interpretable machine learning approach for understanding privilege score contributions, and (4) a novel in-processing method, Multi-PrivScore, to mitigate model-level discrimination during model training. Experiments on simulated and real-world data demonstrate the usefulness of privilege scores. Overall, our work highlights privilege scores as a versatile tool for assessing and mitigating historical discrimination in various machine learning applications.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Parallel sentence mining is crucial for downstream tasks such as Machine Translation, especially for low-resource languages, where such resources are scarce. In this context, we apply a pipeline approach with contextual embeddings on two endangered Slavic languages spoken in Germany, Upper and Lower Sorbian, to evaluate mining quality. To this end, we compare off-the-shelf multilingual language models and word encoders pre-trained on Upper Sorbian to understand their impact on sentence mining. Moreover, to filter out irrelevant pairs, we experiment with a post-processing of mined sentences through an unsupervised word aligner based on word embeddings. We observe the usefulness of additional pre-training in Upper Sorbian, which leads to direct improvements when mining the same language but also its related language, Lower Sorbian.
The rapid development of remote sensing technology has led to an exponential growth in satellite images, yet their inherent complexity often makes them difficult for non-expert users to understand. Natural language, as a carrier of human knowledge, can bridge the gap between common users and complicated satellite imagery. Additionally, when paired with visual data, natural language can be utilized to train large vision–language foundation models, significantly improving performance in various tasks. Despite these advancements, the remote sensing community still faces a challenge due to the lack of large-scale, high-quality vision–language datasets for satellite images. To address this challenge, we introduce a new image–text dataset, providing high-quality natural language descriptions for global-scale satellite data. Specifically, we utilize Sentinel-2 data for its global coverage as the foundational image source, employing semantic segmentation labels from the European Space Agency’s WorldCover project to enrich the descriptions of land cover types. By conducting in-depth semantic analysis, we formulate detailed prompts to elicit rich descriptions from ChatGPT. We then include a manual verification process to enhance the dataset’s quality further. This step involves manual inspection and correction to refine the dataset. Finally, we offer the community ChatEarthNet, a large-scale image–text dataset characterized by global coverage, high quality, wide-ranging diversity, and detailed descriptions. ChatEarthNet consists of 163 488 image–text pairs with captions generated by ChatGPT-3.5 and an additional 10 000 image–text pairs with captions generated by ChatGPT-4V(ision). This dataset has significant potential for both training and evaluating vision–language geo-foundation models for remote sensing. The code is publicly available at https://doi.org/10.5281/zenodo.11004358 (Yuan et al., 2024b), and the ChatEarthNet dataset is available at https://doi.org/10.5281/zenodo.11003436 (Yuan et al., 2024c).
The evolution of image halftoning, from its analog roots to contemporary digital methodologies, encapsulates a fascinating journey marked by technological advancements and creative innovations. Yet the theoretical understanding of halftoning is much more recent. In this article, we explore various approaches towards shedding light on the design of halftoning approaches and why they work. We discuss both halftoning in a continuous domain and on a pixel grid. We start by reviewing the mathematical foundation of the so-called electrostatic halftoning method, which departed from the heuristic of considering the back dots of the halftoned image as charged particles attracted by the grey values of the image in combination with mutual repulsion. Such an attraction-repulsion model can be mathematically represented via an energy functional in a reproducing kernel Hilbert space allowing for a rigorous analysis of the resulting optimization problem as well as a convergence analysis in a suitable topology. A second class of methods that we discuss in detail is the class of error diffusion schemes, arguably among the most popular halftoning techniques due to their ability to work directly on a pixel grid and their ease of application. The main idea of these schemes is to choose the locations of the black pixels via a recurrence relation designed to agree with the image in terms of the local averages. We discuss some recent mathematical understanding of these methods that is based on a connection to Σ∆ quantizers, a popular class of algorithms for analog-to-digital conversion.
Applied Numerical Analysis
Automated recognition of bird vocalizations (BVs) is essential for biodiversity monitoring through passive acoustic monitoring (PAM), yet deep learning (DL) models encounter substantial challenges in open environments. These include difficulties in detecting unknown classes, extracting species-specific features, and achieving robust cross-corpus recognition. To address these challenges, this letter presents a DL-based open-set cross-corpus recognition method for BVs that combines feature construction with open-set recognition (OSR) techniques. We introduce a three-channel spectrogram that integrates both amplitude and phase information to enhance feature representation. To improve the recognition accuracy of known classes across corpora, we employ a class-specific semantic reconstruction model to extract deep features. For unknown class discrimination, we propose a Dual Strategy Coupling Scoring (DSCS) mechanism, which synthesizes the log-likelihood ratio score (LLRS) and reconstruction error score (RES). Our method achieves the highest weighted accuracy among existing approaches on a public dataset, demonstrating its effectiveness for open-set cross-corpus bird vocalization recognition.
We explore the potential of large-scale noisily labeled data to enhance feature learning by pretraining semantic segmentation models within a multimodal framework for geospatial applications. We propose a novel cross-modal sample selection (CromSS) method, a weakly supervised pretraining strategy designed to improve feature representations through cross-modal consistency and noise mitigation techniques. Unlike conventional pretraining approaches, CromSS exploits massive amounts of noisy and easy-to-come-by labels for improved feature learning beneficial to semantic segmentation tasks. We investigate middle and late fusion strategies to optimize the multimodal pretraining architecture design. We also introduce a cross-modal sample selection module to mitigate the adverse effects of label noise, which employs a cross-modal entangling strategy to refine the estimated confidence masks within each modality to guide the sampling process. Additionally, we introduce a spatial–temporal label smoothing technique to counteract overconfidence for enhanced robustness against noisy labels. To validate our approach, we assembled the multimodal dataset, NoLDO-S12, which consists of a large-scale noisy label subset from Google’s Dynamic World (DW) dataset for pretraining and two downstream subsets with high-quality labels from Google DW and OpenStreetMap (OSM) for transfer learning. Experimental results on two downstream tasks and the publicly available DFC2020 dataset demonstrate that when effectively utilized, the low-cost noisy labels can significantly enhance feature learning for segmentation tasks.
We present a flexible modelling approach to analyse time-varying exposures and recurrent events in team sports injuries. The approach is based on the piece-wise exponential additive mixed model where the effects of past exposures (i.e. high-intensity training loads) may accumulate over time and present complex forms of association. In order to identify a relevant time window at which past exposures have an impact on the current risk, we propose a penalty approach. We conduct a simulation study to evaluate the performance of the proposed model, under different true weight functions and different levels of heterogeneity between recurrent events. Finally, we illustrate the approach with a case study application involving an elite male football team participating in the Spanish LaLiga competition. The cohort includes time-loss injuries and external training load variables tracked by Global Positioning System devices, during the seasons 2017–2018 and 2018–2019.
Machine Learning Consulting Unit (MLCU)
Many studies suggest that searching for parking is associated with significant direct and indirect costs. Therefore, it is appealing to reduce the time that car drivers spend on finding an available parking spot, especially in urban areas where the space for all road users is limited. The prediction of on-street parking spot occupancy can provide drivers with guidance on where clear parking spaces are likely to be found. This field of research has gained more and more attention in the last decade through the increasing availability of real-time parking spot occupancy data. In this paper, we pursue a statistical approach for the prediction of parking spot occupancy, where we make use of time-to-event models and semi-Markov process theory. The latter involves the employment of Laplace transformations as well as their inversion, which is an ambitious numerical task. We apply our methodology to data from the City of Melbourne in Australia. Our main result is that the semi-Markov model outperforms a Markov model in terms of both true negative rate and true positive rate while this is essentially achieved by respecting the current duration that a parking space already spends in its initial state.
Applied Statistics in Social Sciences, Economics and Business
Objectives: Despite prevalent use of chemical exchange saturation transfer (CEST) MRI, standardization remains elusive. Imaging depends heavily on parameters dictating radiofrequency (RF) events, gradients, and apparent diffusion coefficient (ADC). We present the Pulseq-CEST Library, a repository of CEST preparation and simulation definitions, including example data and evaluations, that provides a common basis for reproducible research, rapid prototyping, and in silico deep learning training data generation.
Materials and methods: A Pulseq-CEST experiment requires (i) a CEST preparation sequence, (ii) a Bloch–McConnell parameter set, (iii) a Bloch–McConnell simulation, and (iv) an evaluation script. Pulseq-CEST utilizes the Bloch–McConnell equations to model in vitro and in vivo conditions. Using this model, a candidate sequence or environment can be held constant while varying other inputs, enabling robust testing.
Results: Data were compared for amide proton transfer weighted (APTw) and water shift and B1 (WASABI) protocols using a five-tube phantom and simulated environments. Real and simulated data matched anticipated spectral shapes and local peak characteristics. The Pulseq-CEST Library supports similar experiments with common sequences and environments to assess new protocols and sample data.
Discussion: The Pulseq-CEST Library provides a flexible mechanism for standardizing and prototyping CEST sequences, facilitating collaborative development. With the capability for expansion, including open-source incorporation of new sequences and environments, the library accelerates the invention and spread of novel CEST and other saturation transfer approaches, such as relayed NOEs (rNOEs) and semisolid magnetization transfer contrast (MTC) methods.
Computer Vision & Artificial Intelligence
Advances in single-cell ‘-omics’ allow unprecedented insights into the transcriptional profiles of individual cells and, when combined with large-scale perturbation screens, enable measuring of the effect of targeted perturbations on the whole transcriptome. These advances provide an opportunity to better understand the causative role of genes in complex biological processes. In this Perspective, we delineate the application of causal machine learning to single-cell genomics and its associated challenges. We first present the causal model that is most commonly applied to single-cell biology and then identify and discuss potential approaches to three open problems: the lack of generalization of models to novel experimental conditions, the complexity of interpreting learned models, and the difficulty of learning cell dynamics.
Algorithmic Machine Learning & Explainable AI
Large language models based on the transformer deep learning architecture have revolutionized natural language processing. Motivated by the analogy between human language and the genome’s biological code, researchers have begun to develop genome language models (gLMs) based on transformers and related architectures. This Review explores the use of transformers and language models in genomics. We survey open questions in genomics amenable to the use of gLMs, and motivate the use of gLMs and the transformer architecture for these problems. We discuss the potential of gLMs for modelling the genome using unsupervised pretraining tasks, specifically focusing on the power of zero- and few-shot learning. We explore the strengths and limitations of the transformer architecture, as well as the strengths and limitations of current gLMs more broadly. Additionally, we contemplate the future of genomic modelling beyond the transformer architecture, based on current trends in research. This Review serves as a guide for computational biologists and computer scientists interested in transformers and language models for genomic data.
Social media ads have become a key communication channel in politics. However, the relationship between political ads from social media and election outcomes is not fully understood. Here, we aim to estimate the association between online political advertising and election outcomes during the 2021 German federal election. For this, we analyze a large-scale dataset of 21,641 political ads from Facebook and Instagram that received ≈126 million impressions. Using regression analysis, we show that political advertising on social media has a positive relationship with a candidate’s election outcome and may even sway elections. All else equal, ≈200,000 additional impressions are predicted to increase a candidate’s votes by 2.1%. We further use a causal sensitivity analysis to evaluate how unobserved confounding may affect our estimates. We find that the estimated impact of ads cannot be reasonably explained away, highlighting the significance of social media for election outcomes.
Artificial Intelligence in Management
Artificial Intelligence in Management
Effective flood forecasting is crucial for informed decision-making and emergency response. Existing flood datasets mainly describe flood events but lack dynamic process data suitable for machine learning (ML). This work introduces the FloodCastBench dataset, designed for ML-based flood modeling and forecasting, featuring four major flood events: Pakistan 2022, UK 2015, Australia 2022, and Mozambique 2019. FloodCastBench details the process of flood dynamics data acquisition, starting with input data preparation (e.g., topography, land use, rainfall) and flood measurement data collection (e.g., SAR-based maps, surveyed outlines) for hydrodynamic modeling. We deploy a widely recognized finite difference numerical solution to construct high-resolution spatiotemporal dynamic processes with 30-m spatial and 300-second temporal resolutions. Flood measurement data are used to calibrate the hydrodynamic model parameters and validate the flood inundation maps. FloodCastBench provides comprehensive low-fidelity and high-fidelity flood forecasting datasets specifically for ML. Furthermore, we establish a benchmark of foundational models for neural flood forecasting using FloodCastBench, validating its effectiveness in supporting ML models for spatiotemporal, cross-regional, and downscaled flood forecasting.
Estimating the generalization error (GE) of machine learning models is fundamental, with resampling methods being the most common approach. However, in non-standard settings, particularly those where observations are not independently and identically distributed, resampling using simple random data divisions may lead to biased GE estimates. This paper strives to present well-grounded guidelines for GE estimation in various such non-standard settings: clustered data, spatial data, unequal sampling probabilities, concept drift, and hierarchically structured outcomes. Our overview combines well-established methodologies with other existing methods that, to our knowledge, have not been frequently considered in these particular settings. A unifying principle among these techniques is that the test data used in each iteration of the resampling procedure should reflect the new observations to which the model will be applied, while the training data should be representative of the entire data set used to obtain the final model. Beyond providing an overview, we address literature gaps by conducting simulation studies. These studies assess the necessity of using GE-estimation methods tailored to the respective setting. Our findings corroborate the concern that standard resampling methods often yield biased GE estimates in non-standard settings, underscoring the importance of tailored GE estimation.
Biometry in Molecular Medicine
Statistical Learning and Data Science
Machine Learning Consulting Unit (MLCU)
Statistical Learning and Data Science
Statistical Learning and Data Science
Biometry in Molecular Medicine
Data reconstruction attacks on machine learning models pose a substantial threat to privacy, potentially leaking sensitive information. Although defending against such attacks using differential privacy (DP) provides theoretical guarantees, determining appropriate DP parameters remains challenging. Current formal guarantees on the success of data reconstruction suffer from overly stringent assumptions regarding adversary knowledge about the target data, particularly in the image domain, raising questions about their real-world applicability. In this work, we empirically investigate this discrepancy by introducing a reconstruction attack based on diffusion models (DMs) that only assumes adversary access to real-world image priors and specifically targets the DP defense. We find that (1) real-world data priors significantly influence reconstruction success, (2) current reconstruction bounds do not model the risk posed by data priors well, and (3) DMs can serve as heuristic auditing tools for visualizing privacy leakage.
Single-cell data provide high-dimensional measurements of the transcriptional states of cells, but extracting insights into the regulatory functions of genes, particularly identifying transcriptional mechanisms affected by biological perturbations, remains a challenge. Many perturbations induce compensatory cellular responses, making it difficult to distinguish direct from indirect effects on gene regulation. Modeling how gene regulatory functions shape the temporal dynamics of these responses is key to improving our understanding of biological perturbations. Dynamical models based on differential equations offer a principled way to capture transcriptional dynamics, but their application to single-cell data has been hindered by computational constraints, stochasticity, sparsity, and noise. Existing methods either rely on low-dimensional representations or make strong simplifying assumptions, limiting their ability to model transcriptional dynamics at scale. We introduce a Functional and Learnable model of Cell dynamicS, FLeCS, that incorporates gene network structure into coupled differential equations to model gene regulatory functions. Given (pseudo)time-series single-cell data, FLeCS accurately infers cell dynamics at scale, provides improved functional insights into transcriptional mechanisms perturbed by gene knockouts, both in myeloid differentiation and K562 Perturb-seq experiments, and simulates single-cell trajectories of A549 cells following small-molecule perturbations.
Algorithmic Machine Learning & Explainable AI
Despite recent advances in medical image generation, existing methods struggle to produce anatomically plausible 3D structures. In synthetic brain magnetic resonance images (MRIs), characteristic fissures are often missing, and reconstructed cortical surfaces appear scattered rather than densely convoluted. To address this issue, we introduce Cor2Vox, the first diffusion model-based method that translates continuous cortical shape priors to synthetic brain MRIs. To achieve this, we leverage a Brownian bridge process which allows for direct structured mapping between shape contours and medical images. Specifically, we adapt the concept of the Brownian bridge diffusion model to 3D and extend it to embrace various complementary shape representations. Our experiments demonstrate significant improvements in the geometric accuracy of reconstructed structures compared to previous voxel-based approaches. Moreover, Cor2Vox excels in image quality and diversity, yielding high variation in non-target structures like the skull. Finally, we highlight the capability of our approach to simulate cortical atrophy at the sub-voxel level.
Fabian Bongratz
Artificial Intelligence in Medical Imaging
Quantification learning is the task of predicting the label distribution of a set of instances. We study this problem in the context of graph-structured data, where the instances are vertices. Previously, this problem has only been addressed via node clustering methods. In this paper, we extend the popular Adjusted Classify & Count (ACC) method to graphs. We show that the prior probability shift assumption upon which ACC relies is often not fulfilled and propose two novel graph quantification techniques: Structural importance sampling (SIS) makes ACC applicable in graph domains with covariate shift. Neighborhood-aware ACC improves quantification in the presence of non-homophilic edges. We show the effectiveness of our techniques on multiple graph quantification tasks.
Discourse understanding is essential for many NLP tasks, yet most existing work remains constrained by framework-dependent discourse representations. This work investigates whether large language models (LLMs) capture discourse knowledge that generalizes across languages and frameworks. We address this question along two dimensions: (1) developing a unified discourse relation label set to facilitate cross-lingual and cross-framework discourse analysis, and (2) probing LLMs to assess whether they encode generalizable discourse abstractions. Using multilingual discourse relation classification as a testbed, we examine a comprehensive set of 23 LLMs of varying sizes and multilingual capabilities. Our results show that LLMs, especially those with multilingual training corpora, can generalize discourse information across languages and frameworks. Further layer-wise analyses reveal that language generalization at the discourse level is most salient in the intermediate layers. Lastly, our error analysis provides an account of challenging relation classes.
AI and Computational Linguistics
AI and Computational Linguistics
Dense retrieval models are commonly used in Information Retrieval (IR) applications, such as Retrieval-Augmented Generation (RAG). Since they often serve as the first step in these systems, their robustness is critical to avoid failures. In this work, by repurposing a relation extraction dataset (e.g. Re-DocRED), we design controlled experiments to quantify the impact of heuristic biases, such as favoring shorter documents, in retrievers like Dragon+ and Contriever. Our findings reveal significant vulnerabilities: retrievers often rely on superficial patterns like over-prioritizing document beginnings, shorter documents, repeated entities, and literal matches. Additionally, they tend to overlook whether the document contains the query’s answer, lacking deep semantic understanding. Notably, when multiple biases combine, models exhibit catastrophic performance degradation, selecting the answer-containing document in less than 3% of cases over a biased document without the answer. Furthermore, we show that these biases have direct consequences for downstream applications like RAG, where retrieval-preferred documents can mislead LLMs, resulting in a 34% performance drop than not providing any documents at all.
Deep learning’s success comes with growing energy demands, raising concerns about the long-term sustainability of the field. Spiking neural networks, inspired by biological neurons, offer a promising alternative with potential computational and energy-efficiency gains. This article examines the computational properties of spiking networks through the lens of learning theory, focusing on expressivity, training, and generalization, as well as energy-efficient implementations while comparing them to artificial neural networks. By categorizing spiking models based on time representation and information encoding, we highlight their strengths, challenges, and potential as an alternative computational paradigm.
Mathematical Foundations of Artificial Intelligence
The increasing frequency of environmental hazards due to climate change underscores the urgent need for effective monitoring systems. Current approaches either rely on expensive labelled datasets, struggle with seasonal variations, or require multiple observations for confirmation (which delays detection). To address these challenges, this work presents SHAZAM - Self-Supervised Change Monitoring for Hazard Detection and Mapping. SHAZAM uses a lightweight conditional UNet to generate expected images of a region of interest (ROI) for any day of the year, allowing for the direct modelling of normal seasonal changes and the ability to distinguish potential hazards. A modified structural similarity measure compares the generated images with actual satellite observations to compute region-level anomaly scores and pixel-level hazard maps. Additionally, a theoretically grounded seasonal threshold eliminates the need for dataset-specific optimisation. Evaluated on four diverse datasets that contain bushfires (wildfires), burned regions, extreme and out-of-season snowfall, floods, droughts, algal blooms, and deforestation, SHAZAM achieved F1 score improvements of between 0.066 and 0.234 over existing methods. This was achieved primarily through more effective hazard detection (higher recall) while using only 473K parameters. SHAZAM demonstrated superior mapping capabilities through higher spatial resolution and improved ability to suppress background features while accentuating both immediate and gradual hazards. SHAZAM has been established as an effective and generalisable solution for hazard detection and mapping across different geographical regions and a diverse range of hazards.
With the increasing use of image generation technology, understanding its social biases, including gender bias, is essential. This paper presents the first large-scale study on gender bias in text-to-image (T2I) models, focusing on everyday situations. While previous research has examined biases in occupations, we extend this analysis to gender associations in daily activities, objects, and contexts. We create a dataset of 3,217 gender-neutral prompts and generate 200 images per prompt from five leading T2I models. We automatically detect the perceived gender of people in the generated images and filter out images with no person or multiple people of different genders, leaving 2,293,295 images. To enable a broad analysis of gender bias in T2I models, we group prompts into semantically similar concepts and calculate the proportion of male- and female-gendered images for each prompt. Our analysis shows that T2I models reinforce traditional gender roles, reflect common gender stereotypes in household roles, and underrepresent women in financial related activities. Women are predominantly portrayed in care- and human-centered scenarios, and men in technical or physical labor scenarios.
Interpretable and Reliable Machine Learning
Interpretable and Reliable Machine Learning
In this paper, we propose a methodology for extracting molecular tumor biomarkers from hyperspectral imaging (HSI), an emerging technology for intraoperative tissue assessment. To achieve this, we employ spectral unmixing, allowing to decompose the spectral signals recorded by the HSI camera into their constituent molecular components. Traditional unmixing approaches are based on physical models that establish a relationship between tissue molecules and the recorded spectra. However, these methods commonly assume a linear relationship between the spectra and molecular content, which does not capture the whole complexity of light-matter interaction. To address this limitation, we introduce a novel unmixing procedure that allows to take into account non-linear optical effects while preserving the computational benefits of linear spectral unmixing. We validate our methodology on an in-vivo brain tissue HSI dataset and demonstrate that the extracted molecular information leads to superior classification performance.
Understanding how regulatory DNA elements shape gene expression across individual cells is a fundamental challenge in genomics. Joint RNA-seq and epigenomic profiling provides opportunities to build unifying models of gene regulation capturing sequence determinants across steps of gene expression. However, current models, developed primarily for bulk omics data, fail to capture the cellular heterogeneity and dynamic processes revealed by single-cell multi-modal technologies. Here, we introduce scooby, the first model to predict scRNA-seq coverage and scATAC-seq insertion profiles along the genome from sequence at single-cell resolution. For this, we leverage the pre-trained multi-omics profile predictor Borzoi as a foundation model, equip it with a cell-specific decoder, and fine-tune its sequence embeddings. Specifically, we condition the decoder on the cell position in a precomputed single-cell embedding resulting in strong generalization capability. Applied to a hematopoiesis dataset, scooby recapitulates cell-specific expression levels of held-out genes and cells, and identifies regulators and their putative target genes through in silico motif deletion. Moreover, accurate variant effect prediction with scooby allows for breaking down bulk eQTL effects into single-cell effects and delineating their impact on chromatin accessibility and gene expression. We anticipate scooby to aid unraveling the complexities of gene regulation at the resolution of individual cells.Competing Interest StatementJ.D.B. holds patents related to ATAC-seq and is an SAB member of Camp4 and seqWell. F.J.T. consults for Immunai Inc., Singularity Bio B.V., CytoReason Ltd and Omniscope Ltd, and has ownership interest in Dermagnostix GmbH and Cellarity.
Recent advances in Computer Vision have introduced the concept of pretrained representation uncertainty, enabling zero-shot uncertainty estimation. This holds significant potential for Earth Observation (EO), where trustworthiness is critical, yet the complexity of EO data poses challenges to uncertainty-aware methods. In this work, we investigate the generalization of representation uncertainty in EO, considering the domain’s unique semantic characteristics. We pretrain uncertainties on large EO datasets and propose an evaluation framework to assess their zero-shot performance in multi-label classification and segmentation EO tasks. Our findings reveal that, unlike uncertainties pretrained on natural images, EO-pretraining exhibits strong generalization across unseen EO domains, geographic locations, and target granularities, while maintaining sensitivity to variations in ground sampling distance. We demonstrate the practical utility of pretrained uncertainties showcasing their alignment with task-specific uncertainties in downstream tasks, their sensitivity to real-world EO image noise, and their ability to generate spatial uncertainty estimates out-of-the-box. Initiating the discussion on representation uncertainty in EO, our study provides insights into its strengths and limitations, paving the way for future research in the field.
Empirical substantive research, such as in the life or social sciences, is commonly categorized into the two modes exploratory and confirmatory, both of which are essential to scientific progress. The former is also referred to as hypothesis-generating or data-contingent research, the latter is also called hypothesis-testing research. In the context of empirical methodological research in statistics, however, the exploratory-confirmatory distinction has received very little attention so far. Our paper aims to fill this gap. First, we revisit the concept of empirical methodological research through the lens of the exploratory-confirmatory distinction. Secondly, we examine current practice with respect to this distinction through a literature survey including 115 articles from the field of biostatistics. Thirdly, we provide practical recommendations towards more appropriate design, interpretation, and reporting of empirical methodological research in light of this distinction. In particular, we argue that both modes of research are crucial to methodological progress, but that most published studies – even if sometimes disguised as confirmatory – are essentially of exploratory nature. We emphasize that it may be adequate to consider empirical methodological research as a continuum between ‘pure’ exploration and ‘strict’ confirmation, recommend transparently reporting the mode of conducted research within the spectrum between exploratory and confirmatory, and stress the importance of study protocols written before conducting the study, especially in confirmatory methodological research.
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Visual Language Models (VLMs) have demonstrated impressive capabilities in visual grounding tasks. However, their effectiveness in the medical domain, particularly for abnormality detection and localization within medical images, remains underexplored. A major challenge is the complex and abstract nature of medical terminology, which makes it difficult to directly associate pathological anomaly terms with their corresponding visual features. In this work, we introduce a novel approach to enhance VLM performance in medical abnormality detection and localization by leveraging decomposed medical knowledge. Instead of directly prompting models to recognize specific abnormalities, we focus on breaking down medical concepts into fundamental attributes and common visual patterns. This strategy promotes a stronger alignment between textual descriptions and visual features, improving both the recognition and localization of abnormalities in medical images. We evaluate our method on the 0.23B Florence-2 base model and demonstrate that it achieves comparable performance in abnormality grounding to significantly larger 7B LLaVA-based medical VLMs, despite being trained on only 1.5% of the data used for such models. Experimental results also demonstrate the effectiveness of our approach in both known and previously unseen abnormalities, suggesting its strong generalization capabilities.
Artificial Intelligence (AI) has achieved new levels of performance and spread in public usage with the rise of deep neural networks (DNNs). Initially inspired by human neurons and their connections, NNs have become the foundation of AI models for many advanced architectures. However, some of the most integral processes in the human brain, particularly neurogenesis and neuroplasticity in addition to the more spread neuroapoptosis have largely been ignored in DNN architecture design. Instead, contemporary AI development predominantly focuses on constructing advanced frameworks, such as large language models, which retain a static structure of neural connections during training and inference. In this light, we explore how neurogenesis, neuroapoptosis, and neuroplasticity can inspire future AI advances. Specifically, we examine analogous activities in artificial NNs, introducing the concepts of dropin'' for neurogenesis and revisiting
dropout’’ and structural pruning for neuroapoptosis. We additionally suggest neuroplasticity combining the two for future large NNs in ``life-long learning’’ settings following the biological inspiration. We conclude by advocating for greater research efforts in this interdisciplinary domain and identifying promising directions for future exploration.
Affective Computing (AC) is essential for advancing Artificial General Intelligence (AGI), with emotion recognition serving as a key component. However, human emotions are inherently dynamic, influenced not only by an individual’s expressions but also by interactions with others, and single-modality approaches often fail to capture their full dynamics. Multimodal Emotion Recognition (MER) leverages multiple signals but traditionally relies on utterance-level analysis, overlooking the dynamic nature of emotions in conversations. Emotion Recognition in Conversation (ERC) addresses this limitation, yet existing methods struggle to align multimodal features and explain why emotions evolve within dialogues. To bridge this gap, we propose GatedxLSTM, a novel speech-text multimodal ERC model that explicitly considers voice and transcripts of both the speaker and their conversational partner(s) to identify the most influential sentences driving emotional shifts. By integrating Contrastive Language-Audio Pretraining (CLAP) for improved cross-modal alignment and employing a gating mechanism to emphasise emotionally impactful utterances, GatedxLSTM enhances both interpretability and performance. Additionally, the Dialogical Emotion Decoder (DED) refines emotion predictions by modelling contextual dependencies. Experiments on the IEMOCAP dataset demonstrate that GatedxLSTM achieves state-of-the-art (SOTA) performance among open-source methods in four-class emotion classification. These results validate its effectiveness for ERC applications and provide an interpretability analysis from a psychological perspective.
The term ‘researcher degrees of freedom’ (RDF), which was introduced in metascientific literature in the context of the replication crisis in science, refers to the extent of flexibility a scientist has in making decisions related to data analysis. These choices occur at all stages of the data analysis process. In combination with selective reporting, RDF may lead to over-optimistic statements and an increased rate of false positive findings. Even though the concept has been mainly discussed in fields such as epidemiology or psychology, similar problems affect methodological statistical research. Researchers who develop and evaluate statistical methods are left with a multitude of decisions when designing their comparison studies. This leaves room for an over-optimistic representation of the performance of their preferred method(s). The present paper defines and explores a particular RDF that has not been previously identified and discussed. When interpreting the results of real data examples that are most often part of methodological evaluations, authors typically tell a domain-specific ‘story’ that best supports their argumentation in favor of their preferred method. However, there are often plenty of other plausible stories that would support different conclusions. We define the ‘storytelling fallacy’ as the selective use of anecdotal domain-specific knowledge to support the superiority of specific methods in real data examples. While such examples fed by domain knowledge play a vital role in methodological research, if deployed inappropriately they can also harm the validity of conclusions on the investigated methods. The goal of our work is to create awareness for this issue, fuel discussions on the role of real data in generating evidence in methodological research and warn readers of methodological literature against naive interpretations of real data examples.
Biometry in Molecular Medicine
Biometry in Molecular Medicine
We tackle the problem of monocular 3D object detection across different sensors, environments, and camera setups. In this paper, we introduce a novel unsupervised domain adaptation approach, MonoCT, that generates highly accurate pseudo labels for self-supervision. Inspired by our observation that accurate depth estimation is critical to mitigating domain shifts, MonoCT introduces a novel Generalized Depth Enhancement (GDE) module with an ensemble concept to improve depth estimation accuracy. Moreover, we introduce a novel Pseudo Label Scoring (PLS) module by exploring inner-model consistency measurement and a Diversity Maximization (DM) strategy to further generate high-quality pseudo labels for self-training. Extensive experiments on six benchmarks show that MonoCT outperforms existing SOTA domain adaptation methods by large margins (~21% minimum for AP Mod.) and generalizes well to car, traffic camera and drone views.
Computer Vision & Artificial Intelligence
Supervised contrastive learning (SupCon) has proven to be a powerful alternative to the standard cross-entropy loss for classification of multi-class balanced datasets. However, it struggles to learn well-conditioned representations of datasets with long-tailed class distributions. This problem is potentially exacerbated for binary imbalanced distributions, which are commonly encountered during many real-world problems such as medical diagnosis. In experiments on seven binary datasets of natural and medical images, we show that the performance of SupCon decreases with increasing class imbalance. To substantiate these findings, we introduce two novel metrics that evaluate the quality of the learned representation space. By measuring the class distribution in local neighborhoods, we are able to uncover structural deficiencies of the representation space that classical metrics cannot detect. Informed by these insights, we propose two new supervised contrastive learning strategies tailored to binary imbalanced datasets that improve the structure of the representation space and increase downstream classification accuracy over standard SupCon by up to 35%. We make our code available.
Artificial Intelligence in Healthcare and Medicine
Recognition and forecasting of surgical events from video sequences are crucial for advancing computer-assisted surgery. Surgical events are often characterized by specific tool-tissue interactions; for example, ”bleeding damage” occurs when a tool unintentionally cuts a tissue, leading to blood flow. Despite progress in general event classification, recognizing and forecasting events in medical contexts remains challenging due to data scarcity and the complexity of these events. To address these challenges, we propose a method utilizing video masked autoencoders (VideoMAE) for surgical event recognition. This approach focuses the network on the most informative areas of the video while minimizing the need for extensive annotations. We introduce a novel mask sampling technique based on an estimated prior probability map derived from optical flow. We hypothesize that leveraging prior knowledge of tool-tissue interactions will enable the network to concentrate on the most relevant regions in the video. We propose two methods for estimating the prior probability map: (a) retaining areas with the fastest motion and (b) incorporating an additional encoding pathway for optical flow. Our extensive experiments on the public dataset CATARACTS and our in-house neurosurgical data demonstrate that optical flow-based masking consistently outperforms random masking strategies of VideoMAE in phase and event classification tasks. We find that an optical flow encoder enhances classification accuracy by directing the network’s focus to the most relevant information, even in regions without rapid motion. Finally, we investigate sequential and multi-task training strategies to identify the best-performing model, which surpasses the current state-of-the-art by 5% on the CATARACTS dataset and 27% on our in-house neurosurgical data.
Computer Aided Medical Procedures & Augmented Reality
Multivariate Time Series Classification (MTSC) is crucial in extensive practical applications, such as environmental monitoring, medical EEG analysis, and action recognition. Real-world time series datasets typically exhibit complex dynamics. To capture this complexity, RNN-based, CNN-based, Transformer-based, and hybrid models have been proposed. Unfortunately, current deep learning-based methods often neglect the simultaneous construction of local features and global dependencies at different time scales, lacking sufficient feature extraction capabilities to achieve satisfactory classification accuracy. To address these challenges, we propose a novel Multiscale Periodic Time Series Network (MPTSNet), which integrates multiscale local patterns and global correlations to fully exploit the inherent information in time series. Recognizing the multi-periodicity and complex variable correlations in time series, we use the Fourier transform to extract primary periods, enabling us to decompose data into multiscale periodic segments. Leveraging the inherent strengths of CNN and attention mechanism, we introduce the PeriodicBlock, which adaptively captures local patterns and global dependencies while offering enhanced interpretability through attention integration across different periodic scales. The experiments on UEA benchmark datasets demonstrate that the proposed MPTSNet outperforms 21 existing advanced baselines in the MTSC tasks.
Deep learning models based on graph neural networks have emerged as a popular approach for solving computer vision problems. They encode the image into a graph structure and can be beneficial for efficiently capturing the long-range dependencies typically present in remote sensing imagery. However, an important drawback of these methods is their black-box nature which may hamper their wider usage in critical applications. In this work, we tackle the self-interpretability of the graph-based vision models by proposing our Interpretable Window Vision GNN (i-WiViG) approach, which provides explanations by automatically identifying the relevant subgraphs for the model prediction. This is achieved with window-based image graph processing that constrains the node receptive field to a local image region and by using a self-interpretable graph bottleneck that ranks the importance of the long-range relations between the image regions. We evaluate our approach to remote sensing classification and regression tasks, showing it achieves competitive performance while providing inherent and faithful explanations through the identified relations. Further, the quantitative evaluation reveals that our model reduces the infidelity of post-hoc explanations compared to other Vision GNN models, without sacrificing explanation sparsity.
Cell tracking is a key computational task in live-cell microscopy, but fully automated analysis of high-throughput imaging requires reliable and, thus, uncertainty-aware data analysis tools, as the amount of data recorded within a single experiment exceeds what humans are able to overlook. We here propose and benchmark various methods to reason about and quantify uncertainty in linear assignment-based cell tracking algorithms. Our methods take inspiration from statistics and machine learning, leveraging two perspectives on the cell tracking problem explored throughout this work: Considering it as a Bayesian inference problem and as a classification problem. Our methods admit a framework-like character in that they equip any frame-to-frame tracking method with uncertainty quantification. We demonstrate this by applying it to various existing tracking algorithms including the recently presented Transformer-based trackers. We demonstrate empirically that our methods yield useful and well-calibrated tracking uncertainties.
Statistics, Data Science and Machine Learning
In this paper, we seek to combine two emerging standpoints in control theory. On the one hand, recent advances in infinite-dimensional geometric control have unlocked a method for controlling (with arbitrary precision and in arbitrarily small times) state transfers for bilinear Schrödinger PDEs posed on a Riemannian manifold M. In particular, these arguments rely on controllability results in the group of the diffeomorphisms of M. On the other hand, using tools of Γ-convergence, it has been proved that we can phrase the retrieve of a diffeomorphism of M as an ensemble optimal control problem. More precisely, this is done by employing a control-affine system for emph{simultaneously} steering a finite swarm of points towards the respective targets. Here we blend these two theoretical approaches and numerically find control laws driving state transitions (such as eigenstate transfers) in a bilinear Schrödinger PDE posed on the torus. Such systems have experimental relevance and are currently used to model rotational dynamics of molecules, and cold atoms trapped in periodic optical lattices.
Applied Numerical Analysis
Exposure assessment in occupational epidemiology may involve multiple unknown quantities that are measured or reconstructed simultaneously for groups of workers and over several years. Additionally, exposures may be collected using different assessment strategies, depending on the period of exposure. As a consequence, researchers who are analyzing occupational cohort studies are commonly faced with challenging structures of exposure measurement error, involving complex dependence structures and multiple measurement error models, depending on the period of exposure. However, previous work has often made many simplifying assumptions concerning these errors. In this work, we propose a Bayesian hierarchical approach to account for a broad range of error structures arising in occupational epidemiology. The considered error structures may involve several unknown quantities that can be subject to mixtures of Berkson and classical measurement error. It is possible to account for different error structures, depending on the exposure period and the location of a worker. Moreover, errors can present complex dependence structures over time and between workers. We illustrate the proposed hierarchical approach on a subgroup of the German cohort of uranium miners to account for potential exposure uncertainties in the association between radon exposure and lung cancer mortality. The performance of the proposed approach and its sensitivity to model misspecification are evaluated in a simulation study. The results show that biases in estimates arising from very complex measurement errors can be corrected through the proposed Bayesian hierarchical approach.
Biometry in Molecular Medicine
In this paper, we explore the application of ensemble optimal control to derive enhanced strategies for pharmacological cancer treatment. In particular, we focus on moving beyond the classical clinical approach of giving the patient the maximal tolerated drug dose (MTD), which does not properly exploit the fight among sensitive and resistant cells for the available resources. Here, we employ a Lotka-Volterra model to describe the two competing subpopulations, and we enclose this system within the ensemble control framework. In the first part, we establish general results suitable for application to various solid cancers. Then, we carry out numerical simulations in the setting of prostate cancer treated with androgen deprivation therapy, yielding a computed policy that is reminiscent of the medical ‘active surveillance’ paradigm. Finally, inspired by the numerical evidence, we propose a variant of the celebrated adaptive therapy (AT), which we call ‘Off-On’ AT.
Applied Numerical Analysis
Scene graphs capture complex relationships among objects, serving as strong priors for content generation and manipulation. Yet, reasonably manipulating scene graphs – whether by adding nodes or modifying edges – remains a challenging and untouched task. Tasks such as adding a node to the graph or reasoning about a node’s relationships with all others are computationally intractable, as even a single edge modification can trigger conflicts due to the intricate interdependencies within the graph. To address these challenges, we introduce SG-Tailor, an autoregressive model that predicts the conflict-free relationship between any two nodes. SG-Tailor not only infers inter-object relationships, including generating commonsense edges for newly added nodes but also resolves conflicts arising from edge modifications to produce coherent, manipulated graphs for downstream tasks. For node addition, the model queries the target node and other nodes from the graph to predict the appropriate relationships. For edge modification, SG-Tailor employs a Cut-And-Stitch strategy to solve the conflicts and globally adjust the graph. Extensive experiments demonstrate that SG-Tailor outperforms competing methods by a large margin and can be seamlessly integrated as a plug-in module for scene generation and robotic manipulation tasks.
Computer Aided Medical Procedures & Augmented Reality
We tackle the challenge of LiDAR-based place recognition, which traditionally depends on costly and time-consuming prior 3D maps. To overcome this, we first construct XA-L&RSI dataset, which encompasses approximately 110,000 remote sensing submaps and 13,000 LiDAR point cloud submaps captured in urban scenes, and propose a novel method, L2RSI, for cross-view LiDAR place recognition using high-resolution Remote Sensing Imagery. This approach enables large-scale localization capabilities at a reduced cost by leveraging readily available overhead images as map proxies. L2RSI addresses the dual challenges of cross-view and cross-modal place recognition by learning feature alignment between point cloud submaps and remote sensing submaps in the semantic domain. Additionally, we introduce a novel probability propagation method based on a dynamic Gaussian mixture model to refine position predictions, effectively leveraging temporal and spatial information. This approach enables large-scale retrieval and cross-scene generalization without fine-tuning. Extensive experiments on XA-L&RSI demonstrate that, within a 100km2 retrieval range, L2RSI accurately localizes 95.08% of point cloud submaps within a 30m radius for top-1 retrieved location. We provide a video to more vividly display the place recognition results of L2RSI at this https URL.
People can generate high-quality ideas by building on each other’s ideas. By enabling individuals to contribute their ideas at their own comfortable time and method (i.e., asynchronous ideation), they can deeply engage in ideation and improve idea quality. However, running asynchronous ideation faces a practical constraint. Whereas trained human facilitators are needed to guide effective idea exchange, they cannot be continuously available to engage with individuals joining at varying hours. In this paper, we ask how chatbots can be designed to facilitate asynchronous ideation. For this, we adopted the guidelines found in the literature about human facilitators and designed two chatbots: one provides a structured ideation process, and another adapts the ideation process to individuals’ ideation performance. We invited 48 participants to generate and select ideas by interacting with one of our chatbots and invited an expert facilitator to review our chatbots. We found that both chatbots can guide users to build on each other’s ideas and converge them into a few satisfying ideas. However, we also found the chatbots’ limitations in social interaction with collaborators, which only human facilitators can provide. Accordingly, we conclude that chatbots can be promising facilitators of asynchronous ideation, but hybrid facilitation with human facilitators would be needed to address the social aspects of collaborative ideation.
Recent advancements in large language models (LLMs) have demonstrated that fine-tuning and human alignment can render LLMs harmless. In practice, such ‘harmlessness’ behavior is mainly achieved by training models to reject harmful requests, such as ‘Explain how to burn down my neighbor’s house’, where the model appropriately declines to respond. However, this approach can inadvertently result in false refusal, where models reject benign queries as well, such as ‘Tell me how to kill a Python process’. In this work, we demonstrate that prompting safety reflection before generating a response can mitigate false refusal behavior. Building on this finding, we introduce the Think-Before-Refusal (TBR) schema and conduct safety-aware instruction fine-tuning incorporating safety reflection. In an ablation study across 15 pre-trained models, we show that models fine-tuned with safety reflection significantly reduce false refusal behavior while maintaining safety and overall performance compared to those fine-tuned without safety reflection.
AI and Computational Linguistics
Computer Aided Medical Procedures & Augmented Reality
Evaluating deformable image registration (DIR) is challenging due to the inherent trade-off between achieving high alignment accuracy and maintaining deformation regularity. In this work, we introduce a novel evaluation scheme based on the alignment-regularity characteristic (ARC) to systematically capture and analyze this trade-off. We first introduce the ARC curves, which describe the performance of a given registration algorithm as a spectrum measured by alignment and regularity metrics. We further adopt a HyperNetwork-based approach that learns to continuously interpolate across the full regularization range, accelerating the construction and improving the sample density of ARC curves. We empirically demonstrate our evaluation scheme using representative learning-based deformable image registration methods with various network architectures and transformation models on two public datasets. We present a range of findings not evident from existing evaluation practices and provide general recommendations for model evaluation and selection using our evaluation scheme. All code relevant is made publicly available.
Large language models (LLMs) are increasingly used by physicians for diagnostic support. A key advantage of LLMs is the ability to generate explanations that can help physicians understand the reasoning behind a diagnosis. However, the best-suited format for LLM-generated explanations remains unclear. In this large-scale study, we examined the effect of different formats for LLM explanations on clinical decision-making. For this, we conducted a randomized experiment with radiologists reviewing patient cases with radiological images (N=2020 assessments). Participants received either no LLM support (control group) or were supported by one of three LLM-generated explanations: (1) a standard output providing the diagnosis without explanation; (2) a differential diagnosis comparing multiple possible diagnoses; or (3) a chain-of-thought explanation offering a detailed reasoning process for the diagnosis. We find that the format of explanations significantly influences diagnostic accuracy. The chain-of-thought explanations yielded the best performance, improving the diagnostic accuracy by 12.2% compared to the control condition without LLM support (P=0.001). The chain-of-thought explanations are also superior to the standard output without explanation (+7.2%; P=0.040) and the differential diagnosis format (+9.7%; P=0.004). Evidently, explaining the reasoning for a diagnosis helps physicians to identify and correct potential errors in LLM predictions and thus improve overall decisions. Altogether, the results highlight the importance of how explanations in medical LLMs are generated to maximize their utility in clinical practice. By designing explanations to support the reasoning processes of physicians, LLMs can improve diagnostic performance and, ultimately, patient outcomes.
Artificial Intelligence in Management
A safe and trustworthy use of Large Language Models (LLMs) requires an accurate expression of confidence in their answers. We introduce a novel Reinforcement Learning (RL) approach for LLM calibration that fine-tunes LLMs to elicit calibrated confidence estimations in their answers to factual questions. We model the problem as a betting game where the model predicts a confidence score together with every answer, and design a reward function that penalizes both over and under-confidence. We prove that under our reward design an optimal policy would result in a perfectly calibrated confidence estimation. Our experiments demonstrate significantly improved confidence calibration and generalization to new tasks without re-training, indicating that our approach teaches a general confidence awareness. This approach enables the training of inherently calibrated LLMs.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Keeping large language models factually up-to-date is crucial for deployment, yet costly retraining remains a challenge. Knowledge editing offers a promising alternative, but methods are only tested on small-scale or synthetic edit benchmarks. In this work, we aim to bridge research into lifelong knowledge editing to real-world edits at practically relevant scale. We first introduce WikiBigEdit; a large-scale benchmark of real-world Wikidata edits, built to automatically extend lifelong for future-proof benchmarking. In its first instance, it includes over 500K question-answer pairs for knowledge editing alongside a comprehensive evaluation pipeline. Finally, we use WikiBigEdit to study existing knowledge editing techniques’ ability to incorporate large volumes of real-world facts and contrast their capabilities to generic modification techniques such as retrieval augmentation and continual finetuning to acquire a complete picture of the practical extent of current lifelong knowledge editing.
Current 3D stylization techniques primarily focus on static scenes, while our world is inherently dynamic, filled with moving objects and changing environments. Existing style transfer methods primarily target appearance – such as color and texture transformation – but often neglect the geometric characteristics of the style image, which are crucial for achieving a complete and coherent stylization effect. To overcome these shortcomings, we propose GAS-NeRF, a novel approach for joint appearance and geometry stylization in dynamic Radiance Fields. Our method leverages depth maps to extract and transfer geometric details into the radiance field, followed by appearance transfer. Experimental results on synthetic and real-world datasets demonstrate that our approach significantly enhances the stylization quality while maintaining temporal coherence in dynamic scenes.
Advances in Earth observation (EO) foundation models have unlocked the potential of big satellite data to learn generic representations from space, benefiting a wide range of downstream applications crucial to our planet. However, most existing efforts remain limited to fixed spectral sensors, focus solely on the Earth’s surface, and overlook valuable metadata beyond imagery. In this work, we take a step towards next-generation EO foundation models with three key components: 1) Copernicus-Pretrain, a massive-scale pretraining dataset that integrates 18.7M aligned images from all major Copernicus Sentinel missions, spanning from the Earth’s surface to its atmosphere; 2) Copernicus-FM, a unified foundation model capable of processing any spectral or non-spectral sensor modality using extended dynamic hypernetworks and flexible metadata encoding; and 3) Copernicus-Bench, a systematic evaluation benchmark with 15 hierarchical downstream tasks ranging from preprocessing to specialized applications for each Sentinel mission. Our dataset, model, and benchmark greatly improve the scalability, versatility, and multimodal adaptability of EO foundation models, while also creating new opportunities to connect EO, weather, and climate research.
Computer Vision & Artificial Intelligence
The histopathological classification of whole-slide images (WSIs) is a fundamental task in digital pathology; yet it requires extensive time and expertise from specialists. While deep learning methods show promising results, they typically process WSIs by dividing them into artificial patches, which inherently prevents a network from learning from the entire image context, disregards natural tissue structures and compromises interpretability. Our method overcomes this limitation through a novel graph-based framework that constructs WSI graph representations. The WSI-graph efficiently captures essential histopathological information in a compact form. We build tissue representations (nodes) that follow biological boundaries rather than arbitrary patches all while providing interpretable features for explainability. Through adaptive graph coarsening guided by learned embeddings, we progressively merge regions while maintaining discriminative local features and enabling efficient global information exchange. In our method’s final step, we solve the diagnostic task through a graph attention network. We empirically demonstrate strong performance on multiple challenging tasks such as cancer stage classification and survival prediction, while also identifying predictive factors using Integrated Gradients.
Physics-based models provide accurate flood modeling but are limited by their dependence on high-quality data and computational demands, particularly in complex urban environments. Machine learning-based surrogate models like neural operators present a promising alternative; however, their practical application in urban flood modeling remains challenges, such as insufficient feature representation, high memory demands, and limited transferability. To address these challenges, this study introduces a deep neural operator (DNO) and a transfer learning-based DNO for fast, accurate, resolution-invariant, and cross-scenario urban flood forecasting. The DNO features an enhanced Fourier layer with skip connections for improved memory efficiency, alongside a deep encoder-decoder framework and an urban-embedded residual loss to enhance modeling effectiveness. The transfer learning-based DNO further integrates a fine-tuning-based approach for efficient cross-scenario forecasting in the target domain and a domain adaptation-based strategy for continuous learning across diverse domains. The fine-tuning-based DNO enables rapid adaptation to target domains, while the domain adaptation-based DNO mitigates knowledge forgetting from the source domain. Experimental results demonstrate that the proposed DNO significantly outperforms existing neural solvers using a comprehensive urban flood benchmark dataset, particularly in predicting high water depths and exhibiting exceptional zero-shot downscaling performance for high-resolution forecasting. Moreover, the fine-tuning-based DNO enhances transferability for cross-scenario urban flood forecasting, while the domain adaptation-based DNO achieves accurate flood predictions in both source and target domains, even with limited labeled target data. Through the combination of these ML methods and the benchmark dataset, a practical tool is established for effective, cross-scenario, and downscaled spatiotemporal urban flood forecasting.
Visual Question Answering (VQA) systems witnessed a significant advance in recent years due to the development of large-scale Vision-Language Pre-trained Models (VLPMs). As the application scenario and user demand change over time, an advanced VQA system is expected to be capable of continuously expanding its knowledge and capabilities over time, not only to handle new tasks (i.e., new question types or visual scenes) but also to answer questions in new specialized domains without forgetting previously acquired knowledge and skills. Existing works studying CL on VQA tasks primarily consider answer- and question-type incremental learning or scene- and function-incremental learning, whereas how VQA systems perform when they encounter new domains and increasing user demands has not been studied. Motivated by this, we introduce CL-CrossVQA, a rigorous Continual Learning benchmark for Cross-domain Visual Question Answering, through which we conduct extensive experiments on 4 VLPMs, 5 CL approaches, and 5 VQA datasets from different domains. In addition, by probing the forgetting phenomenon of the intermediate layers, we provide insights into how model architecture affects CL performance, why CL approaches can help mitigate forgetting in VLPMs, and how to design CL approaches suitable for VLPMs in this challenging continual learning environment. To facilitate future work on developing an advanced All-in-One VQA system, we will release our datasets and code.
Video Question Answering (Video QA) is a challenging video understanding task that requires models to comprehend entire videos, identify the most relevant information based on contextual cues from a given question, and reason accurately to provide answers. Recent advancements in Multimodal Large Language Models (MLLMs) have transformed video QA by leveraging their exceptional commonsense reasoning capabilities. This progress is largely driven by the effective alignment between visual data and the language space of MLLMs. However, for video QA, an additional space-time alignment poses a considerable challenge for extracting question-relevant information across frames. In this work, we investigate diverse temporal modeling techniques to integrate with MLLMs, aiming to achieve question-guided temporal modeling that leverages pre-trained visual and textual alignment in MLLMs. We propose T-Former, a novel temporal modeling method that creates a question-guided temporal bridge between frame-wise visual perception and the reasoning capabilities of LLMs. Our evaluation across multiple video QA benchmarks demonstrates that T-Former competes favorably with existing temporal modeling approaches and aligns with recent advancements in video QA.
Direct image-to-graph transformation is a challenging task that involves solving object detection and relationship prediction in a single model. Due to this task’s complexity, large training datasets are rare in many domains, making the training of deep-learning methods challenging. This data sparsity necessitates transfer learning strategies akin to the state-of-the-art in general computer vision. In this work, we introduce a set of methods enabling cross-domain and cross-dimension learning for image-to-graph transformers. We propose (1) a regularized edge sampling loss to effectively learn object relations in multiple domains with different numbers of edges, (2) a domain adaptation framework for image-to-graph transformers aligning image- and graph-level features from different domains, and (3) a projection function that allows using 2D data for training 3D transformers. We demonstrate our method’s utility in cross-domain and cross-dimension experiments, where we utilize labeled data from 2D road networks for simultaneous learning in vastly different target domains. Our method consistently outperforms standard transfer learning and self-supervised pretraining on challenging benchmarks, such as retinal or whole-brain vessel graph extraction.
Georgios Kaissis
Dr.
* Former Member
Large Language Models (LLMs) with in-context learning (ICL) ability can quickly adapt to a specific context given a few demonstrations (demos). Recently, Multimodal Large Language Models (MLLMs) built upon LLMs have also shown multimodal ICL ability, i.e., responding to queries given a few multimodal demos, including images, queries, and answers. While ICL has been extensively studied on LLMs, its research on MLLMs remains limited. One essential question is whether these MLLMs can truly conduct multimodal ICL, or if only the textual modality is necessary. We investigate this question by examining two primary factors that influence ICL: 1) Demo content, i.e., understanding the influences of demo content in different modalities. 2) Demo selection strategy, i.e., how to select better multimodal demos for improved performance. Experiments revealed that multimodal ICL is predominantly driven by the textual content whereas the visual information in the demos has little influence. Interestingly, visual content is still necessary and useful for selecting demos to increase performance. Motivated by our analysis, we propose a simple yet effective approach, termed Mixed Modality In-Context Example Selection (MMICES), which considers both visual and language modalities when selecting demos. Extensive experiments are conducted to support our findings and verify the improvement brought by our method.
The bidirectional reflectance distribution function (BRDF) is an essential tool to capture the complex interaction of light and matter. Recently, several works have employed neural methods for BRDF modeling, following various strategies, ranging from utilizing existing parametric models to purely neural parametrizations. While all methods yield impressive results, a comprehensive comparison of the different approaches is missing in the literature. In this work, we present a thorough evaluation of several approaches, including results for qualitative and quantitative reconstruction quality and an analysis of reciprocity and energy conservation. Moreover, we propose two extensions that can be added to existing approaches: A novel additive combination strategy for neural BRDFs that split the reflectance into a diffuse and a specular part, and an input mapping that ensures reciprocity exactly by construction, while previous approaches only ensure it by soft constraints.
Computer Vision & Artificial Intelligence
Diagnosing dementia, particularly for Alzheimer’s Disease (AD) and frontotemporal dementia (FTD), is complex due to overlapping symptoms. While magnetic resonance imaging (MRI) and positron emission tomography (PET) data are critical for the diagnosis, integrating these modalities in deep learning faces challenges, often resulting in suboptimal performance compared to using single modalities. Moreover, the potential of multi-modal approaches in differential diagnosis, which holds significant clinical importance, remains largely unexplored. We propose a novel framework, DiaMond, to address these issues with vision Transformers to effectively integrate MRI and PET. DiaMond is equipped with self-attention and a novel bi-attention mechanism that synergistically combine MRI and PET, alongside a multi-modal normalization to reduce redundant dependency, thereby boosting the performance. DiaMond significantly outperforms existing multi-modal methods across various datasets, achieving a balanced accuracy of 92.4% in AD diagnosis, 65.2% for AD-MCI-CN classification, and 76.5% in differential diagnosis of AD and FTD. We also validated the robustness of DiaMond in a comprehensive ablation study.
Artificial Intelligence in Medical Imaging
Current discriminative depth estimation methods often produce blurry artifacts, while generative approaches suffer from slow sampling due to curvatures in the noise-to-depth transport. Our method addresses these challenges by framing depth estimation as a direct transport between image and depth distributions. We are the first to explore flow matching in this field, and we demonstrate that its interpolation trajectories enhance both training and sampling efficiency while preserving high performance. While generative models typically require extensive training data, we mitigate this dependency by integrating external knowledge from a pre-trained image diffusion model, enabling effective transfer even across differing objectives. To further boost our model performance, we employ synthetic data and utilize image-depth pairs generated by a discriminative model on an in-the-wild image dataset. As a generative model, our model can reliably estimate depth confidence, which provides an additional advantage. Our approach achieves competitive zero-shot performance on standard benchmarks of complex natural scenes while improving sampling efficiency and only requiring minimal synthetic data for training.
Federated Learning (FL) is a distributed machine learning (ML) paradigm, in which multiple clients collaboratively train ML models without centralizing their local data. Similar to conventional ML pipelines, the client local optimization and server aggregation procedure in FL are sensitive to the hyperparameter (HP) selection. Despite extensive research on tuning HPs for centralized ML, these methods yield suboptimal results when employed in FL. This is mainly because their ’training-after-tuning’ framework is unsuitable for FL with limited client computation power. While some approaches have been proposed for HP-Tuning in FL, they are limited to the HPs for client local updates. In this work, we propose a novel HP-tuning algorithm, called Federated Population-based Hyperparameter Tuning (FedPop), to address this vital yet challenging problem. FedPop employs population-based evolutionary algorithms to optimize the HPs, which accommodates various HP types at both the client and server sides. Compared with prior tuning methods, FedPop employs an online ’tuning-while-training’ framework, offering computational efficiency and enabling the exploration of a broader HP search space. Our empirical validation on the common FL benchmarks and complex real-world FL datasets, including full-sized Non-IID ImageNet-1K, demonstrates the effectiveness of the proposed method, which substantially outperforms the concurrent state-of-the-art HP-tuning methods in FL.
In this work we propose a novel method for unsupervised controllable video generation. Once trained on a dataset of unannotated videos, at inference our model is capable of both composing scenes of predefined object parts and animating them in a plausible and controlled way. This is achieved by conditioning video generation on a randomly selected subset of local pre-trained self-supervised features during training. We call our model CAGE for visual Composition and Animation for video GEneration. We conduct a series of experiments to demonstrate capabilities of CAGE in various settings.
Leveraging the vast genetic diversity within microbiomes offers unparalleled insights into complex phenotypes, yet the task of accurately predicting and understanding such traits from genomic data remains challenging. We propose a framework taking advantage of existing large models for gene vectorization to predict habitat specificity from entire microbial genome sequences. Based on our model, we develop attribution techniques to elucidate gene interaction effects that drive microbial adaptation to diverse environments. We train and validate our approach on a large dataset of high quality microbiome genomes from different habitats. We not only demonstrate solid predictive performance, but also how sequence-level information of entire genomes allows us to identify gene associations underlying complex phenotypes. Our attribution recovers known important interaction networks and proposes new candidates for experimental follow up.
Ethics in Systems Design and Machine Learning
Accurately describing images with text is a foundation of explainable AI. Vision-Language Models (VLMs) like CLIP have recently addressed this by aligning images and texts in a shared embedding space, expressing semantic similarities between vision and language embeddings. VLM classification can be improved with descriptions generated by Large Language Models (LLMs). However, it is difficult to determine the contribution of actual description semantics, as the performance gain may also stem from a semantic-agnostic ensembling effect, where multiple modified text prompts act as a noisy test-time augmentation for the original one. We propose an alternative evaluation scenario to decide if a performance boost of LLM-generated descriptions is caused by such a noise augmentation effect or rather by genuine description semantics. The proposed scenario avoids noisy test-time augmentation and ensures that genuine, distinctive descriptions cause the performance boost. Furthermore, we propose a training-free method for selecting discriminative descriptions that work independently of classname-ensembling effects. Our approach identifies descriptions that effectively differentiate classes within a local CLIP label neighborhood, improving classification accuracy across seven datasets. Additionally, we provide insights into the explainability of description-based image classification with VLMs.
Medical multimodal large language models (MLLMs) are becoming an instrumental part of healthcare systems, assisting medical personnel with decision making and results analysis. Models for radiology report generation are able to interpret medical imagery, thus reducing the workload of radiologists. As medical data is scarce and protected by privacy regulations, medical MLLMs represent valuable intellectual property. However, these assets are potentially vulnerable to model stealing, where attackers aim to replicate their functionality via black-box access. So far, model stealing for the medical domain has focused on classification; however, existing attacks are not effective against MLLMs. In this paper, we introduce Adversarial Domain Alignment (ADA-STEAL), the first stealing attack against medical MLLMs. ADA-STEAL relies on natural images, which are public and widely available, as opposed to their medical counterparts. We show that data augmentation with adversarial noise is sufficient to overcome the data distribution gap between natural images and the domain-specific distribution of the victim MLLM. Experiments on the IU X-RAY and MIMIC-CXR radiology datasets demonstrate that Adversarial Domain Alignment enables attackers to steal the medical MLLM without any access to medical data.
LLM-based autonomous agents often fail to execute complex web tasks that require dynamic interaction due to the inherent uncertainty and complexity of these environments. Existing LLM-based web agents typically rely on rigid, expert-designed policies specific to certain states and actions, which lack the flexibility and generalizability needed to adapt to unseen tasks. In contrast, humans excel by exploring unknowns, continuously adapting strategies, and resolving ambiguities through exploration. To emulate human-like adaptability, web agents need strategic exploration and complex decision-making. Monte Carlo Tree Search (MCTS) is well-suited for this, but classical MCTS struggles with vast action spaces, unpredictable state transitions, and incomplete information in web tasks. In light of this, we develop WebPilot, a multi-agent system with a dual optimization strategy that improves MCTS to better handle complex web environments. Specifically, the Global Optimization phase involves generating a high-level plan by breaking down tasks into manageable subtasks and continuously refining this plan, thereby focusing the search process and mitigating the challenges posed by vast action spaces in classical MCTS. Subsequently, the Local Optimization phase executes each subtask using a tailored MCTS designed for complex environments, effectively addressing uncertainties and managing incomplete information. Experimental results on WebArena and MiniWoB++ demonstrate the effectiveness of WebPilot. Notably, on WebArena, WebPilot achieves SOTA performance with GPT-4, achieving a 93% relative increase in success rate over the concurrent tree search-based method. WebPilot marks a significant advancement in general autonomous agent capabilities, paving the way for more advanced and reliable decision-making in practical environments.
Breast cancer is the world’s most prevalent cancer type. Risk models predicting the chance of near future cancer development can help to increase the efficiency of screening programs by targeting high risk patients specifically. In this study we develop machine learning models for predicting the 2 year risk for breast cancer and current breast cancer detection. Therefore, we leverage feature sets based on background parenchymal enhancement (BPE), radiomics and breast symmetry. We train and evaluate our models on longitudinal MRI data from a German high risk screening program using random forests and 5-fold cross validation. The models, which are developed similar to prior work for breast cancer risk prediction, have low predictive power on our dataset. The best performing model is based on BPE features and achieves an AUC of 0.57 for 2 year breast cancer risk prediction.
Breast cancer has the highest prevalence in the world, and thus, most countries have screening programs which aim to detect the cancer onset early. In these screening programs, negative studies dominate the dataset. Unsu- pervised anomaly detection promises to take advantage of the negative studies by using it to detect abnormalities as cancer or signs of cancer onset. In this study, we evaluate an anomaly detection method for cancer predic- tion (1-year ahead) on a MRI dataset of a high risk cohort with BRCA1 and BRCA2 gene mutations. As the approach fails to predict cancer risk on the dataset, we investigate the intrinsic behavior of the method. Our analysis reveals, that the reconstruction based method might only detect high intensity anomalies and that the reconstruction quality is highly correlated with noisy patterns in the image patches.
Variable selection is an important step in the analysis of high-dimensional data, yet there are limited options for survival outcomes in the presence of competing risks. Commonly employed penalized Cox regression considers each event type separately through cause-specific models, neglecting possibly shared information between them. We adapt the feature-weighted elastic net (fwelnet), an elastic net generalization, to survival outcomes and competing risks. For two causes, our proposed algorithm fits two alternating cause-specific models, where each model receives the coefficient vector of the complementary model as prior information. We dub this ‘‘cooperative penalized regression’’, as it enables the modeling of competing risk data with cause-specific models while accounting for shared effects between causes. Coefficients that are shrunken toward zero in the model for the first cause will receive larger penalization weights in the model for the second cause and vice versa. Through multiple iterations, this process ensures stronger penalization of uninformative predictors in both models. We demonstrate our method’s variable selection capabilities on simulated genomics data and apply it to bladder cancer microarray data. We evaluate selection performance using the positive predictive value for the correct selection of informative features and the false positive rate for the selection of uninformative variables. The benchmark compares results with cause-specific penalized Cox regression, random survival forests, and likelihood-boosted Cox regression. Results indicate that our approach is more effective at selecting informative features and removing uninformative features. In settings without shared effects, variable selection performance is similar to cause-specific penalized Cox regression.
Statistical Learning and Data Science
Machine Learning Consulting Unit (MLCU)
Gene set analysis, a popular approach for analyzing high-throughput gene expression data, aims to identify sets of genes that show enriched expression patterns between two conditions. In addition to the multitude of methods available for this task, users are typically left with many options when creating the required input and specifying the internal parameters of the chosen method. This flexibility can lead to uncertainty about the “right” choice, further reinforced by a lack of evidence-based guidance. Especially when their statistical experience is scarce, this uncertainty might entice users to produce preferable results using a ’trial-and-error’ approach. While it may seem unproblematic at first glance, this practice can be viewed as a form of ‘cherry-picking’ and cause an optimistic bias, rendering the results nonreplicable on independent data. After this problem has attracted a lot of attention in the context of classical hypothesis testing, we now aim to raise awareness of such overoptimism in the different and more complex context of gene set analyses. We mimic a hypothetical researcher who systematically selects the analysis variants yielding their preferred results, thereby considering three distinct goals they might pursue. Using a selection of popular gene set analysis methods, we tweak the results in this way for two frequently used benchmark gene expression data sets. Our study indicates that the potential for overoptimism is particularly high for a group of methods frequently used despite being commonly criticized. We conclude by providing practical recommendations to counter overoptimism in research findings in gene set analysis and beyond.
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Introduced in 2017, Consensus-Based Optimization (CBO) has rapidly emerged as a significant breakthrough in global optimization. This straightforward yet powerful multi-particle, zero-order optimization method draws inspiration from Simulated Annealing and Particle Swarm Optimization. Using a quantitative mean-field approximation, CBO dynamics can be described by a nonlinear Fokker-Planck equation with degenerate diffusion, which does not follow a gradient flow structure. In this paper, we demonstrate that solutions to the CBO equation remain positive and maintain full support. Building on this foundation, we establish the { unconditional} global convergence of CBO methods to global minimizers. Our results are derived through an analysis of solution regularity and the proof of existence for smooth, classical solutions to a broader class of drift-diffusion equations, despite the challenges posed by degenerate diffusion.
Crime is responsible for major financial losses and serious harm to the well-being of individuals, and, hence, a crucial task of police operations is effective patrolling. Yet, in existing decision models aimed at police operations, microscopic routing decisions from patrolling are not considered, and, furthermore, the objective is limited to surrogate metrics (e. g., response time) instead of crime prevention. In this paper, we thus formalize the decision problem of dynamic police patrolling as a Markov decision process that models microscopic routing decisions, so that the expected number of prevented crimes are maximized. We experimentally show that standard solution approaches for our decision problem are not scalable to real-world settings. As a remedy, we present a tailored and highly efficient Monte Carlo tree search algorithm. We then demonstrate our algorithm numerically using real-world crime data from Chicago and show that the decision-making by our algorithm offers significant improvements for crime prevention over patrolling tactics from current practice. Informed by our results, we finally discuss implications for improving the patrolling tactics in police operations.
Artificial Intelligence in Management
This study investigates the predictive capability of radiomics in determining programmed cell death ligand 1 (PD-L1) expression (>=1%) status in non-small cell lung cancer (NSCLC) patients using a newly collected [18F]FDG PET/CT dataset. We aimed to replicate and validate the radiomics-based machine learning (ML) model proposed by Zhao et al. [2] predicting PD-L1 status from PET/CT-imaging.
An independent cohort of 254 NSCLC patients underwent [18F]FDG PET/CT imaging, with primary tumor segmentation conducted using lung tissue window (LTW) and more conservative soft tissue window (STW) methods. Radiomics models (“Rad-score” and “complex model”) and a clinical-stage model from Zhao et al. were evaluated via 10-fold cross-validation and AUC analysis, alongside a benchmark-study comparing different ML-model pipelines. Clinicopathological data were collected from medical records.
On our data, the Rad-score model yielded mean AUCs of 0.593 (STW) and 0.573 (LTW), below Zhao et al.’s 0.761. The complex model achieved mean AUCs of 0.505 (STW) and 0.519 (LTW), lower than Zhao et al.’s 0.769. The clinical model showed a mean AUC of 0.555, below Zhao et al.’s 0.64. All models performed significantly lower than Zhao et al.’s findings. Our benchmark study on four ML pipelines revealed consistently low performance across all configurations.
Our study failed to replicate original findings, suggesting poor model performance and questioning predictive value of radiomics features in classifying PD-L1 expression from PET/CT imaging. These results highlight challenges in replicating radiomics-based ML models and stress the need for rigorous validation
With great pride and anticipation, we present the first issue of IEEE TRANSACTIONS ON COMPUTATIONAL SOCIAL SYSTEMS (TCSS) for 2025. Reflecting on the remarkable achievements of 2024, this past year stands as a testament to academic excellence and prolific scholarly output. Over the course of the year, our journal published an impressive 642 high-quality articles, totaling approximately 5800 pages, distributed across six issues. These works collectively underscore the vibrant growth and interdisciplinary impact of computational social systems.
Query-based Transformers have been yielding impressive performance in object localization and detection tasks. However, their application to organ detection in 3D medical imaging data has been relatively unexplored. This study introduces Organ-DETR, featuring two innovative modules, MultiScale Attention (MSA) and Dense Query Matching (DQM), designed to enhance the performance of Detection Transformers (DETRs) for 3D organ detection. MSA is a novel top-down representation learning approach for efficiently encoding Computed Tomography (CT) features. This architecture employs a multiscale attention mechanism, utilizing both dual self-attention and cross-scale attention mechanisms to extract intra- and inter-scale spatial interactions in the attention mechanism. Organ-DETR also introduces DQM, an approach for one-to-many matching that tackles the label assignment difficulties in organ detection. DQM increases positive queries to enhance both recall scores and training efficiency without the need for additional learnable parameters. Extensive results on five 3D CT datasets indicate that the proposed Organ-DETR outperforms comparable techniques by achieving a remarkable improvement of +10.6 mAP COCO.
Artificial Intelligence in Medical Imaging
Precise percutaneous needle detection is crucial for ultrasound (US)-guided interventions. However, inherent limitations such as speckles, needle-like artifacts, and low resolution make it challenging to robustly detect needles, especially when their visibility is reduced or imperceptible. To address this challenge, we propose VibNet, a learning-based framework designed to enhance the robustness and accuracy of needle detection in US images by leveraging periodic vibration applied externally to the needle shafts. VibNet integrates neural Short-Time Fourier Transform and Hough Transform modules to achieve successive sub-goals, including motion feature extraction in the spatiotemporal space, frequency feature aggregation, and needle detection in the Hough space. Due to the periodic subtle vibration, the features are more robust in the frequency domain than in the image intensity domain, making VibNet more effective than traditional intensity-based methods. To demonstrate the effectiveness of VibNet, we conducted experiments on distinct ex vivo porcine and bovine tissue samples. The results obtained on porcine samples demonstrate that VibNet effectively detects needles even when their visibility is severely reduced, with a tip error of 1.61±1.56 mm compared to 8.15±9.98 mm for UNet and 6.63±7.58 mm for WNet, and a needle direction error of 1.64 ± 1.86° compared to 9.29 ± 15.30° for UNet and 8.54 ± 17.92° for WNet.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Land cover information is indispensable for advancing the United Nations’ sustainable development goals, and land cover mapping under a more detailed category system would significantly contribute to economic livelihood tracking and environmental degradation measurement. However, the substantial difficulty in acquiring fine-grained training data makes the implementation of this task particularly challenging. Here, we propose to combine fully labeled source domain and weakly labeled target domain for weakly supervised domain adaptation (WSDA). This is beneficial as the utilization of sparse and coarse weak labels can considerably alleviate the labor required for precise and detailed land cover annotation. Specifically, we introduce the Prototype-based pseudo-label Rectification and Expansion (PRE) approach, which leverages the prototypes (i.e., the class-wise feature centroids) as the bridge to connect sparse labels and global feature distributions. According to the feature distances to the prototypes, the confidence of pseudo-labels predicted in the unlabeled regions of the target domain is assessed. This confidence is then utilized to guide the dynamic expansion and rectification of pseudo-labels. Based on PRE, we carry out high categorical resolution land cover mapping for 10 cities in different regions around the world, severally using PlanetScope, Gaofen-1, and Sentinel-2 satellite images. In the study areas, we achieve cross-sensor, cross-category, and cross-continent WSDA, with the overall accuracy exceeding 80%. The promising results indicate that PRE is capable of reducing the dependency of land cover classification on high-quality annotations, thereby improving label efficiency. We expect our work to enable global fine-grained land cover mapping, which in turn promote Earth observation to provide more precise and thorough information for environmental monitoring.
Imagine that you are given access to an AI chatbot that compellingly mimics the personality and speech of a deceased loved one. If you start having regular interactions with this ’thanabot’, could this new relationship be a continuation of the relationship you had with your loved one? And could a relationship with a thanabot preserve or replicate the value of a close human relationship? To the first question, we argue that a relationship with a thanabot cannot be a true continuation of your relationship with a deceased loved one, though it might support one’s continuing bonds with the dead. To the second question, we argue that, in and of themselves, relationships with thanabots cannot benefit us as much as rewarding and healthy intimate relationships with other humans, though we explain why it is difficult to make reliable comparative generalizations about the instrumental value of these relationships.
A scoring system is a simple decision model that checks a set of features, adds a certain number of points to a total score for each feature that is satisfied, and finally makes a decision by comparing the total score to a threshold. Scoring systems have a long history of active use in safety-critical domains such as healthcare and justice, where they provide guidance for making objective and accurate decisions. Given their genuine interpretability, the idea of learning scoring systems from data is obviously appealing from the perspective of explainable AI. In this paper, we propose a practically motivated extension of scoring systems called probabilistic scoring lists (PSL), as well as a method for learning PSLs from data. Instead of making a deterministic decision, a PSL represents uncertainty in the form of probability distributions, or, more generally, probability intervals. Moreover, in the spirit of decision lists, a PSL evaluates features one by one and stops as soon as a decision can be made with enough confidence. To evaluate our approach, we conduct case studies in the medical domain and on standard benchmark data.
Artificial Intelligence and Machine Learning
Recent machine-learning (ML)-based advances in single-cell data science have enabled the stratification of human tissue donors at single-cell resolution, promising to provide valuable diagnostic and prognostic insights. However, such insights are susceptible to biases. Here we discuss various biases that emerge along the pipeline of ML-based single-cell analysis, ranging from societal biases affecting whose samples are collected, to clinical and cohort biases that influence the generalizability of single-cell datasets, biases stemming from single-cell sequencing, ML biases specific to (weakly supervised or unsupervised) ML models trained on human single-cell samples and biases during the interpretation of results from ML models. We end by providing methods for single-cell data scientists to assess and mitigate biases, and call for efforts to address the root causes of biases.
Algorithmic Machine Learning & Explainable AI
Normative representation learning focuses on understanding the typical anatomical distributions from large datasets of medical scans from healthy individuals. Generative Artificial Intelligence (AI) leverages this attribute to synthesize images that accurately reflect these normative patterns. This capability enables the AI allowing them to effectively detect and correct anomalies in new, unseen pathological data without the need for expert labeling. Traditional anomaly detection methods often evaluate the anomaly detection performance, overlooking the crucial role of normative learning. In our analysis, we introduce novel metrics, specifically designed to evaluate this facet in AI models. We apply these metrics across various generative AI frameworks, including advanced diffusion models, and rigorously test them against complex and diverse brain pathologies. In addition, we conduct a large multi-reader study to compare these metrics to experts’ evaluations. Our analysis demonstrates that models proficient in normative learning exhibit exceptional versatility, adeptly detecting a wide range of unseen medical conditions.
Many scientific datasets are compositional in nature. Important biological examples include species abundances in ecology, cell-type compositions derived from single-cell sequencing data, and amplicon abundance data in microbiome research. Here, we provide a causal view on compositional data in an instrumental variable setting where the composition acts as the cause. First, we crisply articulate potential pitfalls for practitioners regarding the interpretation of compositional causes from the viewpoint of interventions and warn against attributing causal meaning to common summary statistics such as diversity indices in microbiome data analysis. We then advocate for and develop multivariate methods using statistical data transformations and regression techniques that take the special structure of the compositional sample space into account while still yielding scientifically interpretable results. In a comparative analysis on synthetic and real microbiome data we show the advantages and limitations of our proposal. We posit that our analysis provides a useful framework and guidance for valid and informative cause-effect estimation in the context of compositional data.
The ice thickness of the world’s glaciers is mostly unmeasured, and physics-based models to reconstruct ice thickness cannot always deliver accurate estimates. In this study, we use deep learning paired with physical knowledge to generate ice thickness estimates for all glaciers of Spitsbergen, Barentsøya, and Edgeøya in Svalbard. We incorporate mass conservation and other physically derived conditions into a neural network to predict plausible ice thicknesses even for glaciers without any in situ ice thickness measurements. With a glacier-wise cross-validation scheme, we evaluate the performance of the physics-informed neural network. The results of these proof-of-concept experiments let us identify several challenges and opportunities that affect the model’s performance in a real-world setting.
Digital pathology is revolutionizing clinical diagnostics by offering enhanced efficiency, accuracy, and accessibility of pathological examinations. This study explores the implementation and validation of digital pathology in a large tertiary academic center, focusing on its gradual integration and transition into routine clinical diagnostics. In a comprehensive validation process over a 6-month period, we compared sign-out of digital and physical glass slides of a wide range of different tissue specimens and histopathological diagnoses. Key metrics such as diagnostic concordance and user satisfaction were assessed by involving the pathologists in a validation training and study phase. We measured turnaround times before and after transitioning to digital pathology to assess the impact on overall efficiency. Our results demonstrate a 99% concordance between the analog and digital reports while at the same time reducing the time to sign out a case by almost a minute, suggesting potential long-term efficiency gains. Our digital transition positively impacted our pathology workflow: Pathologists reported increased flexibility and satisfaction due to the ease of accessing and sharing digital slides. However, challenges were identified, including technical issues related to image quality and system integration. Lessons learned from this study emphasize the importance of robust training programs, adequate IT support, and ongoing evaluation to ensure successful integration. This validation study confirms that digital pathology is a viable and beneficial tool for accurate clinical routine diagnostics in large academic centers, offering insights for other institutions considering similar endeavors.
Many two-sample problems call for a comparison of two distributions from an exponential family. Density ratio estimation methods provide ways to solve such problems through direct estimation of the differences in natural parameters. The term direct indicates that one avoids estimating both marginal distributions. In this context, we consider the Kullback–Leibler Importance Estimation Procedure (KLIEP), which has been the subject of recent work on differential networks. Our main result shows that the existence of the KLIEP estimator is characterized by whether the average sufficient statistic for one sample belongs to the convex hull of the set of all sufficient statistics for data points in the second sample. For high-dimensional problems it is customary to regularize the KLIEP loss by adding the product of a tuning parameter and a norm of the vector of parameter differences. We show that the existence of the regularized KLIEP estimator requires the tuning parameter to be no less than the dual norm-based distance between the average sufficient statistic and the convex hull. The implications of these existence issues are explored in applications to differential network analysis.
Positivity violations pose a key challenge in the estimation of causal effects, particularly for continuous interventions. Current approaches for addressing this issue include the use of projection functions or modified treatment policies. While effective in many contexts, these methods can result in estimands that potentially do not align well with the original research question, thereby leading to compromises in interpretability. In this paper, we introduce a novel diagnostic tool, the non-overlap ratio, to detect positivity violations. To address these violations while maintaining interpretability, we propose a data-adaptive solution, specially a ‘most feasible’ intervention strategy. Our strategy operates on a unit-specific basis. For a given intervention of interest, we first assess whether the intervention value is feasible for each unit. For units with sufficient support, conditional on confounders, we adhere to the intervention of interest. However, for units lacking sufficient support, as identified through the assessment of the non-overlap ratio, we do not assign the actual intervention value of interest. Instead, we assign the closest feasible value within the support region. We propose an estimator using g-computation coupled with flexible conditional density estimation to estimate high- and low support regions to estimate this new estimand. Through simulations, we demonstrate that our method effectively reduces bias across various scenarios by addressing positivity violations. Moreover, when positivity violations are absent, the method successfully recovers the standard estimand. We further validate its practical utility using real-world data from the CHAPAS-3 trial, which enrolled HIV-positive children in Zambia and Uganda.
The ability of large language models (LLMs) to validate their output and identify potential errors is crucial for ensuring robustness and reliability. However, current research indicates that LLMs struggle with self-correction, encountering significant challenges in detecting errors. While studies have explored methods to enhance self-correction in LLMs, relatively little attention has been given to understanding the models’ internal mechanisms underlying error detection. In this paper, we present a mechanistic analysis of error detection in LLMs, focusing on simple arithmetic problems. Through circuit analysis, we identify the computational subgraphs responsible for detecting arithmetic errors across four smaller-sized LLMs. Our findings reveal that all models heavily rely on consistency heads–attention heads that assess surface-level alignment of numerical values in arithmetic solutions. Moreover, we observe that the models’ internal arithmetic computation primarily occurs in higher layers, whereas validation takes place in middle layers, before the final arithmetic results are fully encoded. This structural dissociation between arithmetic computation and validation seems to explain why current LLMs struggle to detect even simple arithmetic errors.
AI and Computational Linguistics
Visual instruction tuning refines pre-trained Multimodal Large Language Models (MLLMs) to enhance their real-world task performance. However, the rapid expansion of visual instruction datasets introduces significant data redundancy, leading to excessive computational costs. Existing data selection methods predominantly rely on proxy models or loss-based metrics, both of which impose substantial computational overheads due to the necessity of model inference and backpropagation. To address this challenge, we propose PRISM, a novel training-free approach for efficient multimodal data selection. Unlike existing methods, PRISM eliminates the reliance on proxy models, warm-up pretraining, and gradient-based optimization. Instead, it leverages Pearson correlation analysis to quantify the intrinsic visual encoding properties of MLLMs, computing a task-specific correlation score to identify high-value instances. This not only enbles data-efficient selection,but maintains the original performance. Empirical evaluations across multiple MLLMs demonstrate that PRISM reduces the overall time required for visual instruction tuning and data selection to just 30% of conventional methods, while surpassing fully fine-tuned models across eight multimodal and three language understanding benchmarks, achieving a 101.7% relative improvement in final performance.
Bias-transforming methods of fairness-aware machine learning aim to correct a non-neutral status quo with respect to a protected attribute (PA). Current methods, however, lack an explicit formulation of what drives non-neutrality. We introduce privilege scores (PS) to measure PA-related privilege by comparing the model predictions in the real world with those in a fair world in which the influence of the PA is removed. At the individual level, PS can identify individuals who qualify for affirmative action; at the global level, PS can inform bias-transforming policies. After presenting estimation methods for PS, we propose privilege score contributions (PSCs), an interpretation method that attributes the origin of privilege to mediating features and direct effects. We provide confidence intervals for both PS and PSCs. Experiments on simulated and real-world data demonstrate the broad applicability of our methods and provide novel insights into gender and racial privilege in mortgage and college admissions applications.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Neural operators aim to approximate the solution operator of a system of differential equations purely from data. They have shown immense success in modeling complex dynamical systems across various domains. However, the occurrence of uncertainties inherent in both model and data has so far rarely been taken into accounttextemdash{}a critical limitation in complex, chaotic systems such as weather forecasting. In this paper, we introduce the probabilistic neural operator (PNO), a framework for learning probability distributions over the output function space of neural operators. PNO extends neural operators with generative modeling based on strictly proper scoring rules, integrating uncertainty information directly into the training process. We provide a theoretical justification for the approach and demonstrate improved performance in quantifying uncertainty across different domains and with respect to different baselines. Furthermore, PNO requires minimal adjustment to existing architectures, shows improved performance for most probabilistic prediction tasks, and leads to well-calibrated predictive distributions and adequate uncertainty representations even for long dynamical trajectories. Implementing our approach into large-scale models for physical applications can lead to improvements in corresponding uncertainty quantification and extreme event identification, ultimately leading to a deeper understanding of the prediction of such surrogate models.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
We study direction-of-arrival (DOA) estimation from coarsely quantized data. We focus on a two-step approach which first estimates the signal subspace via covariance estimation and then extracts DOA angles by the ESPRIT algorithm. In particular, we analyze two stochastic quantization schemes which use dithering: a one-bit quantizer combined with rectangular dither and a multi-bit quantizer with triangular dither. For each quantizer, we derive rigorous high probability bounds for the distances between the true and estimated signal subspaces and DOA angles. Using our analysis, we identify scenarios in which subspace and DOA estimation via triangular dithering qualitatively outperforms rectangular dithering. We verify in numerical simulations that our estimates are optimal in their dependence on the smallest non-zero eigenvalue of the target matrix. The resulting subspace estimation guarantees are equally applicable in the analysis of other spectral estimation algorithms and related problems.
Mathematical Data Science and Artificial Intelligence
How we should design and interact with social artificial intelligence depends on the socio-relational role the AI is meant to emulate or occupy. In human society, relationships such as teacher-student, parent-child, neighbors, siblings, or employer-employee are governed by specific norms that prescribe or proscribe cooperative functions including hierarchy, care, transaction, and mating. These norms shape our judgments of what is appropriate for each partner. For example, workplace norms may allow a boss to give orders to an employee, but not vice versa, reflecting hierarchical and transactional expectations. As AI agents and chatbots powered by large language models are increasingly designed to serve roles analogous to human positions - such as assistant, mental health provider, tutor, or romantic partner - it is imperative to examine whether and how human relational norms should extend to human-AI interactions. Our analysis explores how differences between AI systems and humans, such as the absence of conscious experience and immunity to fatigue, may affect an AI’s capacity to fulfill relationship-specific functions and adhere to corresponding norms. This analysis, which is a collaborative effort by philosophers, psychologists, relationship scientists, ethicists, legal experts, and AI researchers, carries important implications for AI systems design, user behavior, and regulation. While we accept that AI systems can offer significant benefits such as increased availability and consistency in certain socio-relational roles, they also risk fostering unhealthy dependencies or unrealistic expectations that could spill over into human-human relationships. We propose that understanding and thoughtfully shaping (or implementing) suitable human-AI relational norms will be crucial for ensuring that human-AI interactions are ethical, trustworthy, and favorable to human well-being.
Introduced in 2017, Consensus-Based Optimization (CBO) has rapidly emerged as a significant breakthrough in global optimization. This straightforward yet powerful multi-particle, zero-order optimization method draws inspiration from Simulated Annealing and Particle Swarm Optimization. Using a quantitative mean-field approximation, CBO dynamics can be described by a nonlinear Fokker-Planck equation with degenerate diffusion, which does not follow a gradient flow structure. In this paper, we demonstrate that solutions to the CBO equation remain positive and maintain full support. Building on this foundation, we establish the { unconditional} global convergence of CBO methods to global minimizers. Our results are derived through an analysis of solution regularity and the proof of existence for smooth, classical solutions to a broader class of drift-diffusion equations, despite the challenges posed by degenerate diffusion.
The spectacular performance of halide perovskites in optoelectronic devices is rooted in their favorable tolerance to structural defects. Previous studies showed that defects in these materials generate shallow electronic states that do not degrade device performance. However, how these shallow states persist amid the pronounced thermally-stimulated atomic dynamics on halide perovskite surfaces remains unknown. This work reveals that electronic states at surfaces of the prototypical CsPbBr3 variant are energetically distributed at room temperature, akin to well-passivated inorganic semiconductors, even when covalent bonds remain cleaved and undercoordinated. Specifically, a striking tendency for shallow surface states is found with approximately 70% of surface-state energies appearing within 0.2 eV or ≈8kBT from the valence-band edge. Furthermore, we show that even when surface states appear deeper in the gap, they are not energetically isolated and are less likely to act as traps. We achieve this result by accelerating first-principles calculations via machine-learning techniques and show that the unique atomic dynamics in these materials render the formation of deep electronic states at their surfaces unlikely. These findings reveal the microscopic mechanism behind the low density of deep defect states at dynamic halide perovskite surfaces, which is key to their exceptional performance in devices.
High-detail semantic 3D building models are frequently utilized in robotics, geoinformatics, and computer vision. One key aspect of creating such models is employing 2D conflict maps that detect openings’ locations in building facades. Yet, in reality, these maps are often incomplete due to obstacles encountered during laser scanning. To address this challenge, we introduce FacaDiffy, a novel method for inpainting unseen facade parts by completing conflict maps with a personalized Stable Diffusion model. Specifically, we first propose a deterministic ray analysis approach to derive 2D conflict maps from existing 3D building models and corresponding laser scanning point clouds. Furthermore, we facilitate the inpainting of unseen facade objects into these 2D conflict maps by leveraging the potential of personalizing a Stable Diffusion model. To complement the scarcity of real-world training data, we also develop a scalable pipeline to produce synthetic conflict maps using random city model generators and annotated facade images. Extensive experiments demonstrate that FacaDiffy achieves state-of-the-art performance in conflict map completion compared to various inpainting baselines and increases the detection rate by 22% when applying the completed conflict maps for high-definition 3D semantic building reconstruction.
Generating long, high-quality videos remains a challenge due to the complex interplay of spatial and temporal dynamics and hardware limitations. In this work, we introduce textbf{MaskFlow}, a unified video generation framework that combines discrete representations with flow-matching to enable efficient generation of high-quality long videos. By leveraging a frame-level masking strategy during training, MaskFlow conditions on previously generated unmasked frames to generate videos with lengths ten times beyond that of the training sequences. MaskFlow does so very efficiently by enabling the use of fast Masked Generative Model (MGM)-style sampling and can be deployed in both fully autoregressive as well as full-sequence generation modes. We validate the quality of our method on the FaceForensics (FFS) and Deepmind Lab (DMLab) datasets and report Fréchet Video Distance (FVD) competitive with state-of-the-art approaches. We also provide a detailed analysis on the sampling efficiency of our method and demonstrate that MaskFlow can be applied to both timestep-dependent and timestep-independent models in a training-free manner.
Large ensembles of climate models are indispensable for analyzing natural climate variability and estimating the occurrence of rare extreme events. Many hydrometeorological applications—such as compound event analysis, return period estimation, weather forecasting, downscaling, and bias correction—rely on an accurate representation of the multivariate distribution of climate variables. However, at high temporal resolutions, variables like precipitation often exhibit significant zero-inflation and heavy-tailed distributions. This inflation propagates through the entire multivariate dependence structure, complicating the relationships between zero-inflated and non-inflated variables. Inadequate modeling and correction of these dependencies can substantially degrade the reliability of hydrometeorological methodologes.
In an earlier work, we developed a novel multivariate density decomposition for zero inflated variables based on vine copulas. This method has been integrated into multivariate Vine Copula Bias Correction for partially zero-inflated margins (VBC), with potential applications in other fields facing high-resolution climate data challenges. We resume the idea behind VBC and illustrate it’s advantages to other bias correction methods. This highlights the interpretability and the advantages of control and assessment of the results generated by VBC.
Statistical Consulting Unit (StaBLab)
Statistical Consulting Unit (StaBLab)
Computational Statistics & Data Science
We introduce XCOMPS in this work, a multilingual conceptual minimal pair dataset covering 17 languages. Using this dataset, we evaluate LLMs’ multilingual conceptual understanding through metalinguistic prompting, direct probability measurement, and neurolinguistic probing. By comparing base, instruction-tuned, and knowledge-distilled models, we find that: 1) LLMs exhibit weaker conceptual understanding for low-resource languages, and accuracy varies across languages despite being tested on the same concept sets. 2) LLMs excel at distinguishing concept-property pairs that are visibly different but exhibit a marked performance drop when negative pairs share subtle semantic similarities. 3) Instruction tuning improves performance in concept understanding but does not enhance internal competence; knowledge distillation can enhance internal competence in conceptual understanding for low-resource languages with limited gains in explicit task performance. 4) More morphologically complex languages yield lower concept understanding scores and require deeper layers for conceptual reasoning.
We develop a novel method for personalized off-policy learning in scenarios with unobserved confounding. Thereby, we address a key limitation of standard policy learning: standard policy learning assumes unconfoundedness, meaning that no unobserved factors influence both treatment assignment and outcomes. However, this assumption is often violated, because of which standard policy learning produces biased estimates and thus leads to policies that can be harmful. To address this limitation, we employ causal sensitivity analysis and derive a statistically efficient estimator for a sharp bound on the value function under unobserved confounding. Our estimator has three advantages: (1) Unlike existing works, our estimator avoids unstable minimax optimization based on inverse propensity weighted outcomes. (2) Our estimator is statistically efficient. (3) We prove that our estimator leads to the optimal confounding-robust policy. Finally, we extend our theory to the related task of policy improvement under unobserved confounding, i.e., when a baseline policy such as the standard of care is available. We show in experiments with synthetic and real-world data that our method outperforms simple plug-in approaches and existing baselines. Our method is highly relevant for decision-making where unobserved confounding can be problematic, such as in healthcare and public policy.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
The accurate representation of epistemic uncertainty is a challenging yet essential task in machine learning. A widely used representation corresponds to convex sets of probabilistic predictors, also known as credal sets. One popular way of constructing these credal sets is via ensembling or specialized supervised learning methods, where the epistemic uncertainty can be quantified through measures such as the set size or the disagreement among members. In principle, these sets should contain the true data-generating distribution. As a necessary condition for this validity, we adopt the strongest notion of calibration as a proxy. Concretely, we propose a novel statistical test to determine whether there is a convex combination of the set’s predictions that is calibrated in distribution. In contrast to previous methods, our framework allows the convex combination to be instance dependent, recognizing that different ensemble members may be better calibrated in different regions of the input space. Moreover, we learn this combination via proper scoring rules, which inherently optimize for calibration. Building on differentiable, kernel-based estimators of calibration errors, we introduce a nonparametric testing procedure and demonstrate the benefits of capturing instance-level variability on of synthetic and real-world experiments.
Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, are commonly used to adapt LLMs. However, the effectiveness of standard PEFT methods is limited in low-resource scenarios with only a few hundred examples. Recent advances in interpretability research have inspired the emergence of activation editing techniques, which modify the activations of specific model components. These methods, due to their extremely small parameter counts, show promise for small datasets. However, their performance is highly dependent on identifying the correct modules to edit and often lacks stability across different datasets. In this paper, we propose Joint Localization and Activation Editing (JoLA), a method that jointly learns (1) which heads in the Transformer to edit (2) whether the intervention should be additive, multiplicative, or both and (3) the intervention parameters themselves - the vectors applied as additive offsets or multiplicative scalings to the head output. Through evaluations on three benchmarks spanning commonsense reasoning, natural language understanding, and natural language generation, we demonstrate that JoLA consistently outperforms existing methods.
Machine learning methods are commonly used to solve inverse problems, wherein an unknown signal must be estimated from few measurements generated via a known acquisition procedure. In particular, neural networks perform well empirically but have limited theoretical guarantees. In this work, we study an underdetermined linear inverse problem that admits several possible solution mappings. A standard remedy (e.g., in compressed sensing) establishing uniqueness of the solution mapping is to assume knowledge of latent low-dimensional structure in the source signal. We ask the following question: do deep neural networks adapt to this low-dimensional structure when trained by gradient descent with weight decay regularization? We prove that mildly overparameterized deep linear networks trained in this manner converge to an approximate solution that accurately solves the inverse problem while implicitly encoding latent subspace structure. To our knowledge, this is the first result to rigorously show that deep linear networks trained with weight decay automatically adapt to latent subspace structure in the data under practical stepsize and weight initialization schemes. Our work highlights that regularization and overparameterization improve generalization, while overparameterization also accelerates convergence during training.
In large language models (LLMs), certain neurons can store distinct pieces of knowledge learned during pretraining. While knowledge typically appears as a combination of relations and entities, it remains unclear whether some neurons focus on a relation itself – independent of any entity. We hypothesize such neurons detect a relation in the input text and guide generation involving such a relation. To investigate this, we study the Llama-2 family on a chosen set of relations with a statistics-based method. Our experiments demonstrate the existence of relation-specific neurons. We measure the effect of selectively deactivating candidate neurons specific to relation r on the LLM’s ability to handle (1) facts whose relation is r and (2) facts whose relation is a different relation r′≠r. With respect to their capacity for encoding relation information, we give evidence for the following three properties of relation-specific neurons. (i) Neuron cumulativity. The neurons for r present a cumulative effect so that deactivating a larger portion of them results in the degradation of more facts in r. (ii) Neuron versatility. Neurons can be shared across multiple closely related as well as less related relations. Some relation neurons transfer across languages. (iii) Neuron interference. Deactivating neurons specific to one relation can improve LLM generation performance for facts of other relations.
Computational Linguistics
Computational Linguistics
Understanding pragmatics-the use of language in context-is crucial for developing NLP systems capable of interpreting nuanced language use. Despite recent advances in language technologies, including large language models, evaluating their ability to handle pragmatic phenomena such as implicatures and references remains challenging. To advance pragmatic abilities in models, it is essential to understand current evaluation trends and identify existing limitations. In this survey, we provide a comprehensive review of resources designed for evaluating pragmatic capabilities in NLP, categorizing datasets by the pragmatics phenomena they address. We analyze task designs, data collection methods, evaluation approaches, and their relevance to real-world applications. By examining these resources in the context of modern language models, we highlight emerging trends, challenges, and gaps in existing benchmarks. Our survey aims to clarify the landscape of pragmatic evaluation and guide the development of more comprehensive and targeted benchmarks, ultimately contributing to more nuanced and context-aware NLP models.
AI and Computational Linguistics
Representation learning is widely used for estimating causal quantities (e.g., the conditional average treatment effect) from observational data. While existing representation learning methods have the benefit of allowing for end-to-end learning, they do not have favorable theoretical properties of Neyman-orthogonal learners, such as double robustness and quasi-oracle efficiency. Also, such representation learning methods often employ additional constraints, like balancing, which may even lead to inconsistent estimation. In this paper, we propose a novel class of Neyman-orthogonal learners for causal quantities defined at the representation level, which we call OR-learners. Our OR-learners have several practical advantages: they allow for consistent estimation of causal quantities based on any learned representation, while offering favorable theoretical properties including double robustness and quasi-oracle efficiency. In multiple experiments, we show that, under certain regularity conditions, our OR-learners improve existing representation learning methods and achieve state-of-the-art performance. To the best of our knowledge, our OR-learners are the first work to offer a unified framework of representation learning methods and Neyman-orthogonal learners for causal quantities estimation.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Bespoke formation of Batteries offers improved lifetime and performance but is generally associated with long processing times, high cost, and large floorspace. Facile strategies like heating or increasing the formation current, as well as current alterations during formation have their limits in speed up and efficiency. We present pulsed formation on graphitic anode full cells as an accelerated formation strategy and investigate its influence on various quality parameters. Optimized pulsed charging is demonstrated herein to reduce the formation time by more than 50% whilst maintaining or improving all other cell quality parameters including discharge capacity. The newly discovered protocol is scaled up to 25Ah prismatic cells in the PHEV1 format that confirm the accelerated and improved pulsed formation strategy. We attribute the accelerated and improved formation to an apt balance of surface and bulk diffusion which results in thinner, more homogenous SEI. Dynamics of pulsed formation also allow for the extraction of new quality markers while formation is happening.
Recent large language models (LLMs) support long contexts ranging from 128K to 1M tokens. A popular method for evaluating these capabilities is the needle-in-a-haystack (NIAH) test, which involves retrieving a ’needle’ (relevant information) from a ‘haystack’ (long irrelevant context). Extensions of this approach include increasing distractors, fact chaining, and in-context reasoning. However, in these benchmarks, models can exploit existing literal matches between the needle and haystack to simplify the task. To address this, we introduce NoLiMa, a benchmark extending NIAH with a carefully designed needle set, where questions and needles have minimal lexical overlap, requiring models to infer latent associations to locate the needle within the haystack. We evaluate 12 popular LLMs that claim to support contexts of at least 128K tokens. While they perform well in short contexts (<1K), performance degrades significantly as context length increases. At 32K, for instance, 10 models drop below 50% of their strong short-length baselines. Even GPT-4o, one of the top-performing exceptions, experiences a reduction from an almost-perfect baseline of 99.3% to 69.7%. Our analysis suggests these declines stem from the increased difficulty the attention mechanism faces in longer contexts when literal matches are absent, making it harder to retrieve relevant information.
Assuming a directed acyclic graph (DAG) that represents prior knowledge of causal relationships between variables is a common starting point for cause-effect estimation. Existing literature typically invokes hypothetical domain expert knowledge or causal discovery algorithms to justify this assumption. In practice, neither may propose a single DAG with high confidence. Domain experts are hesitant to rule out dependencies with certainty or have ongoing disputes about relationships; causal discovery often relies on untestable assumptions itself or only provides an equivalence class of DAGs and is commonly sensitive to hyperparameter and threshold choices. We propose an efficient, gradient-based optimization method that provides bounds for causal queries over a collection of causal graphs – compatible with imperfect prior knowledge – that may still be too large for exhaustive enumeration. Our bounds achieve good coverage and sharpness for causal queries such as average treatment effects in linear and non-linear synthetic settings as well as on real-world data. Our approach aims at providing an easy-to-use and widely applicable rebuttal to the valid critique of `What if your assumed DAG is wrong?'.
Ethics in Systems Design and Machine Learning
Ethics in Systems Design and Machine Learning
Ethics in Systems Design and Machine Learning
In-context machine translation (MT) with large language models (LLMs) is a promising approach for low-resource MT, as it can readily take advantage of linguistic resources such as grammar books and dictionaries. Such resources are usually selectively integrated into the prompt so that LLMs can directly perform translation without any specific training, via their in-context learning capability (ICL). However, the relative importance of each type of resource e.g., dictionary, grammar book, and retrieved parallel examples, is not entirely clear. To address this gap, this study systematically investigates how each resource and its quality affects the translation performance, with the Manchu language as our case study. To remove any prior knowledge of Manchu encoded in the LLM parameters and single out the effect of ICL, we also experiment with an encrypted version of Manchu texts. Our results indicate that high-quality dictionaries and good parallel examples are very helpful, while grammars hardly help. In a follow-up study, we showcase a promising application of in-context MT: parallel data augmentation as a way to bootstrap the conventional MT model. When monolingual data abound, generating synthetic parallel data through in-context MT offers a pathway to mitigate data scarcity and build effective and efficient low-resource neural MT systems.
The Shapley value is the prevalent solution for fair division problems in which a payout is to be divided among multiple agents. By adopting a game-theoretic view, the idea of fair division and the Shapley value can also be used in machine learning to quantify the individual contribution of features or data points to the performance of a predictive model. Despite its popularity and axiomatic justification, the Shapley value suffers from a computational complexity that scales exponentially with the number of entities involved, and hence requires approximation methods for its reliable estimation. We propose SVAkADD, a novel approximation method that fits a k-additive surrogate game. By taking advantage of k-additivity, we are able to elicit the exact Shapley values of the surrogate game and then use these values as estimates for the original fair division problem. The efficacy of our method is evaluated empirically and compared to competing methods.
Artificial Intelligence and Machine Learning
Large language models (LLMs) have transformed code generation. However, most existing approaches focus on mainstream languages such as Python and Java, neglecting the Solidity language, the predominant programming language for Ethereum smart contracts. Due to the lack of adequate benchmarks for Solidity, LLMs’ ability to generate secure, cost-effective smart contracts remains unexplored. To fill this gap, we construct SolEval, the first repository-level benchmark designed for Solidity smart contract generation, to evaluate the performance of LLMs on Solidity. SolEval consists of 1,125 samples from 9 different repositories, covering 6 popular domains, providing LLMs with a comprehensive evaluation benchmark. Unlike the existing Solidity benchmark, SolEval not only includes complex function calls but also reflects the real-world complexity of the Ethereum ecosystem by incorporating gas fee and vulnerability rate. We evaluate 10 LLMs on SolEval, and our results show that the best-performing LLM achieves only 26.29% Pass@10, highlighting substantial room for improvement in Solidity code generation by LLMs.
The timely automated detection of building destruction in conflict zones is crucial for human rights monitoring, humanitarian response, and academic research. However, current approaches rely on expensive proprietary satellite imagery, limiting their scalability and accessibility. This study addresses these challenges by introducing an automated and unsupervised method that uses freely available Sentinel-1 synthetic aperture radar (SAR) imagery from the European Space Agency (ESA). By statistically assessing interferometric coherence changes over time, our approach enables the timely detection of building destruction at scale without requiring labeled training data, which are often not available in conflict-affected regions. We validate our method across three case studies, Beirut, Mariupol, and Gaza, demonstrating its ability to capture diverse patterns of destruction and their spatio-temporal dynamics, despite the moderate resolution of Sentinel-1 imagery. Our approach offers a scalable, global, and cost-effective solution for detecting building destruction in conflict zones.
Open-vocabulary semantic segmentation enables models to identify novel object categories beyond their training data. While this flexibility represents a significant advancement, current approaches still rely on manually specified class names as input, creating an inherent bottleneck in real-world applications. This work proposes a Vocabulary-Free Semantic Segmentation pipeline, eliminating the need for predefined class vocabularies. Specifically, we address the chicken-and-egg problem where users need knowledge of all potential objects within a scene to identify them, yet the purpose of segmentation is often to discover these objects. The proposed approach leverages Vision-Language Models to automatically recognize objects and generate appropriate class names, aiming to solve the challenge of class specification and naming quality. Through extensive experiments on several public datasets, we highlight the crucial role of the text encoder in model performance, particularly when the image text classes are paired with generated descriptions. Despite the challenges introduced by the sensitivity of the segmentation text encoder to false negatives within the class tagging process, which adds complexity to the task, we demonstrate that our fully automated pipeline significantly enhances vocabulary-free segmentation accuracy across diverse real-world scenarios.
Computer Aided Medical Procedures & Augmented Reality
Empirical human-AI alignment aims to make AI systems act in line with observed human behavior. While noble in its goals, we argue that empirical alignment can inadvertently introduce statistical biases that warrant caution. This position paper thus advocates against naive empirical alignment, offering prescriptive alignment and a posteriori empirical alignment as alternatives. We substantiate our principled argument by tangible examples like human-centric decoding of language models.
Statistical Learning and Data Science
The rapid development of multilingual large language models (LLMs) highlights the need for high-quality, diverse, and clean multilingual datasets. In this paper, we introduce DCAD-2000 (Data Cleaning as Anomaly Detection), a large-scale multilingual corpus built using newly extracted Common Crawl data and existing multilingual datasets. DCAD-2000 includes over 2,282 languages, 46.72TB of data, and 8.63 billion documents, spanning 155 high- and medium-resource languages and 159 writing scripts. To overcome the limitations of current data cleaning methods, which rely on manual heuristic thresholds, we propose reframing data cleaning as an anomaly detection task. This dynamic filtering approach significantly enhances data quality by identifying and removing noisy or anomalous content. We evaluate the quality of DCAD-2000 on the FineTask benchmark, demonstrating substantial improvements in multilingual dataset quality and task performance.
We study the statistical-computational trade-offs for learning with exact invariances (or symmetries) using kernel regression. Traditional methods, such as data augmentation, group averaging, canonicalization, and frame-averaging, either fail to provide a polynomial-time solution or are not applicable in the kernel setting. However, with oracle access to the geometric properties of the input space, we propose a polynomial-time algorithm that learns a classifier with emph{exact} invariances. Moreover, our approach achieves the same excess population risk (or generalization error) as the original kernel regression problem. To the best of our knowledge, this is the first polynomial-time algorithm to achieve exact (not approximate) invariances in this context. Our proof leverages tools from differential geometry, spectral theory, and optimization. A key result in our development is a new reformulation of the problem of learning under invariances as optimizing an infinite number of linearly constrained convex quadratic programs, which may be of independent interest.
Factor analysis models explain dependence among observed variables by a smaller number of unobserved factors. A main challenge in confirmatory factor analysis is determining whether the factor loading matrix is identifiable from the observed covariance matrix. The factor loading matrix captures the linear effects of the factors and, if unrestricted, can only be identified up to an orthogonal transformation of the factors. However, in many applications the factor loadings exhibit an interesting sparsity pattern that may lead to identifiability up to column signs. We study this phenomenon by connecting sparse factor models to bipartite graphs and providing sufficient graphical conditions for identifiability of the factor loading matrix up to column signs. In contrast to previous work, our main contribution, the matching criterion, exploits sparsity by operating locally on the graph structure, thereby improving existing conditions. Our criterion is efficiently decidable in time that is polynomial in the size of the graph, when restricting the search steps to sets of bounded size.
Mathematical Statistics
Out-of-distribution generalization of machine learning models remains challenging since the models are inherently bound to the training data distribution. This especially manifests, when the learned models rely on spurious correlations. Most of the existing approaches apply data manipulation, representation learning, or learning strategies to achieve generalizable models. Unfortunately, these approaches usually require multiple training domains, group labels, specialized augmentation, or pre-processing to reach generalizable models. We propose a novel approach that addresses these limitations by providing a technique to guide the neural network through the training phase. We first establish input pairs, representing the spurious attribute and describing the invariance, a characteristic that should not affect the outcome of the model. Based on these pairs, we form a corrective gradient complementing the traditional gradient descent approach. We further make this correction mechanism adaptive based on a predefined invariance condition. Experiments on ColoredMNIST, Waterbird-100, and CelebA datasets demonstrate the effectiveness of our approach and the robustness to group shifts.
Statistical Learning and Data Science
The success of foundation models in natural language processing and computer vision has motivated similar approaches for general time series analysis. While these models are effective for a variety of tasks, their applicability in medical domains with limited data remains largely unexplored. To address this, we investigate the effectiveness of foundation models in medical time series analysis involving electroencephalography (EEG). Through extensive experiments on tasks such as age prediction, seizure detection, and the classification of clinically relevant EEG events, we compare their diagnostic accuracy with that of specialised EEG models. Our analysis shows that foundation models extract meaningful EEG features, outperform specialised models even without domain adaptation, and localise task-specific biomarkers. Moreover, we demonstrate that diagnostic accuracy is substantially influenced by architectural choices such as context length. Overall, our study reveals that foundation models with general time series understanding eliminate the dependency on large domain-specific datasets, making them valuable tools for clinical practice.
Adapting large language models (LLMs) to new and diverse knowledge is essential for their lasting effectiveness in real-world applications. This survey provides an overview of state-of-the-art methods for expanding the knowledge of LLMs, focusing on integrating various knowledge types, including factual information, domain expertise, language proficiency, and user preferences. We explore techniques, such as continual learning, model editing, and retrieval-based explicit adaptation, while discussing challenges like knowledge consistency and scalability. Designed as a guide for researchers and practitioners, this survey sheds light on opportunities for advancing LLMs as adaptable and robust knowledge systems.
Aspect-based sentiment analysis (ABSA) is a sequence labeling task that has garnered growing research interest in multilingual contexts. However, recent studies lack more robust feature alignment and finer aspect-level alignment. In this paper, we propose a novel framework, Multi-Scale and Multi-Objective optimization (MSMO) for cross-lingual ABSA. During multi-scale alignment, we achieve cross-lingual sentence-level and aspect-level alignment, aligning features of aspect terms in different contextual environments. Specifically, we introduce code-switched bilingual sentences into the language discriminator and consistency training modules to enhance the model’s robustness. During multi-objective optimization, we design two optimization objectives: supervised training and consistency training, aiming to enhance cross-lingual semantic alignment. To further improve model performance, we incorporate distilled knowledge of the target language into the model. Results show that MSMO significantly enhances cross-lingual ABSA by achieving state-of-the-art performance across multiple languages and models.
Aspect-based sentiment analysis (ABSA) is a crucial task in information extraction and sentiment analysis, aiming to identify aspects with associated sentiment elements in text. However, existing ABSA datasets are predominantly English-centric, limiting the scope for multilingual evaluation and research. To bridge this gap, we present M-ABSA, a comprehensive dataset spanning 7 domains and 21 languages, making it the most extensive multilingual parallel dataset for ABSA to date. Our primary focus is on triplet extraction, which involves identifying aspect terms, aspect categories, and sentiment polarities. The dataset is constructed through an automatic translation process with human review to ensure quality. We perform extensive experiments using various baselines to assess performance and compatibility on M-ABSA. Our empirical findings highlight that the dataset enables diverse evaluation tasks, such as multilingual and multi-domain transfer learning, and large language model evaluation, underscoring its inclusivity and its potential to drive advancements in multilingual ABSA research.
Understanding neural networks is challenging due to their high-dimensional, interacting components. Inspired by human cognition, which processes complex sensory data by chunking it into recurring entities, we propose leveraging this principle to interpret artificial neural population activities. Biological and artificial intelligence share the challenge of learning from structured, naturalistic data, and we hypothesize that the cognitive mechanism of chunking can provide insights into artificial systems. We first demonstrate this concept in recurrent neural networks (RNNs) trained on artificial sequences with imposed regularities, observing that their hidden states reflect these patterns, which can be extracted as a dictionary of chunks that influence network responses. Extending this to large language models (LLMs) like LLaMA, we identify similar recurring embedding states corresponding to concepts in the input, with perturbations to these states activating or inhibiting the associated concepts. By exploring methods to extract dictionaries of identifiable chunks across neural embeddings of varying complexity, our findings introduce a new framework for interpreting neural networks, framing their population activity as structured reflections of the data they process.
Interpretable and Reliable Machine Learning
The increased adoption of Large Language Models (LLMs) and their potential to shape public opinion have sparked interest in assessing these models’ political leanings. Building on previous research that compared LLMs and human opinions and observed political bias in system responses, we take a step further to investigate the underlying causes of such biases by empirically examining how the values and biases embedded in training corpora shape model outputs. Specifically, we propose a method to quantitatively evaluate political leanings embedded in the large pretraining corpora. Subsequently we investigate to whom are the LLMs’ political leanings more aligned with, their pretrainig corpora or the surveyed human opinions. As a case study, we focus on probing the political leanings of LLMs in 32 U.S. Supreme Court cases, addressing contentious topics such as abortion and voting rights. Our findings reveal that LLMs strongly reflect the political leanings in their training data, and no strong correlation is observed with their alignment to human opinions as expressed in surveys. These results underscore the importance of responsible curation of training data and the need for robust evaluation metrics to ensure LLMs’ alignment with human-centered values.
Earth Observation (EO) data encompass a vast range of remotely sensed information, featuring multi-sensor and multi-temporal, playing an indispensable role in understanding our planet’s dynamics. Recently, Vision Language Models (VLMs) have achieved remarkable success in perception and reasoning tasks, bringing new insights and opportunities to the EO field. However, the potential for EO applications, especially for scientific regression related applications remains largely unexplored. This paper bridges that gap by systematically examining the challenges and opportunities of adapting VLMs for EO regression tasks. The discussion first contrasts the distinctive properties of EO data with conventional computer vision datasets, then identifies four core obstacles in applying VLMs to EO regression: 1) the absence of dedicated benchmarks, 2) the discrete-versus-continuous representation mismatch, 3) cumulative error accumulation, and 4) the suboptimal nature of text-centric training objectives for numerical tasks. Next, a series of methodological insights and potential subtle pitfalls are explored. Lastly, we offer some promising future directions for designing robust, domain-aware solutions. Our findings highlight the promise of VLMs for scientific regression in EO, setting the stage for more precise and interpretable modeling of critical environmental processes.
Fine-tuning is a key approach for adapting language models to specific downstream tasks, but updating all model parameters becomes impractical as model sizes increase. Parameter-Efficient Fine-Tuning (PEFT) methods, such as Low-Rank Adaptation (LoRA), address this challenge by introducing additional adaptation parameters into pre-trained weight matrices. However, LoRA’s performance varies across different insertion points within the model, highlighting potential parameter inefficiency due to unnecessary insertions. To this end, we propose SSMLoRA (State Space Model Low-Rank Adaptation), an extension of LoRA that incorporates a State Space Model (SSM) to interconnect low-rank matrices. SSMLoRA ensures that performance is maintained even with sparser insertions. SSMLoRA allows the model to not only map inputs to a low-rank space for better feature extraction but also leverage the computations from the previous low-rank space. Our method achieves comparable performance to LoRA on the General Language Understanding Evaluation (GLUE) benchmark while using only half the parameters. Additionally, due to its structure, SSMLoRA shows promise in handling tasks with longer input sequences.
The continuous operation of Earth-orbiting satellites generates vast and ever-growing archives of Remote Sensing (RS) images. Natural language presents an intuitive interface for accessing, querying, and interpreting the data from such archives. However, existing Vision-Language Models (VLMs) are predominantly trained on web-scraped, noisy image-text data, exhibiting limited exposure to the specialized domain of RS. This deficiency results in poor performance on RS-specific tasks, as commonly used datasets often lack detailed, scientifically accurate textual descriptions and instead emphasize solely on attributes like date and location. To bridge this critical gap, we introduce GAIA, a novel dataset designed for multi-scale, multi-sensor, and multi-modal RS image analysis. GAIA comprises of 205,150 meticulously curated RS image-text pairs, representing a diverse range of RS modalities associated to different spatial resolutions. Unlike existing vision-language datasets in RS, GAIA specifically focuses on capturing a diverse range of RS applications, providing unique information about environmental changes, natural disasters, and various other dynamic phenomena. The dataset provides a spatially and temporally balanced distribution, spanning across the globe, covering the last 25 years with a balanced temporal distribution of observations. GAIA’s construction involved a two-stage process: (1) targeted web-scraping of images and accompanying text from reputable RS-related sources, and (2) generation of five high-quality, scientifically grounded synthetic captions for each image using carefully crafted prompts that leverage the advanced vision-language capabilities of GPT-4o. Our extensive experiments, including fine-tuning of CLIP and BLIP2 models, demonstrate that GAIA significantly improves performance on RS image classification, cross-modal retrieval and image captioning tasks.
Multimodal large language models (MLLMs) have demonstrated strong performance in understanding videos holistically, yet their ability to process streaming videos-videos are treated as a sequence of visual events-remains underexplored. Intuitively, leveraging past events as memory can enrich contextual and temporal understanding of the current event. In this paper, we show that leveraging memories as contexts helps MLLMs better understand video events. However, because such memories rely on predictions of preceding events, they may contain misinformation, leading to confabulation and degraded performance. To address this, we propose a confabulation-aware memory modification method that mitigates confabulated memory for memory-enhanced event understanding.
In this paper, we consider functionals of the form Hα(u)=F(u)+αG(u) with α∈[0,+∞), where u varies in a set U≠∅ (without further structure). We first show that, excluding at most countably many values of α, we have that infH⋆αG=supH⋆αG, where H⋆α:=argminUHα, which is assumed to be non-empty. We further prove a stronger result that concerns the {invariance of the} limiting value of the functional G along minimizing sequences for Hα. This fact in turn implies an unexpected consequence for functionals regularized with uniformly convex norms: excluding again at most countably many values of α, it turns out that for a minimizing sequence, convergence to a minimizer in the weak or strong sense is equivalent.
Applied Numerical Analysis
Decoding strategies for large language models (LLMs) are a critical but often underexplored aspect of text generation tasks. Since LLMs produce probability distributions over the entire vocabulary, various decoding methods have been developed to transform these probabilities into coherent and fluent text, each with its own set of hyperparameters. In this study, we present a large-scale, comprehensive analysis of how hyperparameter selection affects text quality in open-ended text generation across multiple LLMs, datasets, and evaluation metrics. Through an extensive sensitivity analysis, we provide practical guidelines for hyperparameter tuning and demonstrate the substantial influence of these choices on text quality. Using three established datasets, spanning factual domains (e.g., news) and creative domains (e.g., fiction), we show that hyperparameter tuning significantly impacts generation quality, though its effects vary across models and tasks. We offer in-depth insights into these effects, supported by both human evaluations and a synthesis of widely-used automatic evaluation metrics.
Statistical Learning and Data Science
Statistical Learning and Data Science
A large amount of local and culture-specific knowledge (e.g., people, traditions, food) can only be found in documents written in dialects. While there has been extensive research conducted on cross-lingual information retrieval (CLIR), the field of cross-dialect retrieval (CDIR) has received limited attention. Dialect retrieval poses unique challenges due to the limited availability of resources to train retrieval models and the high variability in non-standardized languages. We study these challenges on the example of German dialects and introduce the first German dialect retrieval dataset, dubbed WikiDIR, which consists of seven German dialects extracted from Wikipedia. Using WikiDIR, we demonstrate the weakness of lexical methods in dealing with high lexical variation in dialects. We further show that commonly used zero-shot cross-lingual transfer approach with multilingual encoders do not transfer well to extremely low-resource setups, motivating the need for resource-lean and dialect-specific retrieval models. We finally demonstrate that (document) translation is an effective way to reduce the dialect gap in CDIR.
AI and Computational Linguistics
AI and Computational Linguistics
Transliterating related languages that use different scripts into a common script shows effectiveness in improving crosslingual transfer in downstream tasks. However, this methodology often makes pretraining a model from scratch unavoidable, as transliteration brings about new subwords not covered in existing multilingual pretrained language models (mPLMs). This is not desired because it takes a lot of computation budget for pretraining. A more promising way is to make full use of available mPLMs. To this end, this paper proposes a simple but effective framework: Transliterate-Merge-Initialize (TransMI), which can create a strong baseline well-suited for data that is transliterated into a common script by exploiting an mPLM and its accompanied tokenizer. TransMI has three stages: (a) transliterate the vocabulary of an mPLM into a common script; (b) merge the new vocabulary with the original vocabulary; and (c) initialize the embeddings of the new subwords. We applied TransMI to three recent strong mPLMs, and our experiments demonstrate that TransMI not only preserves their ability to handle non-transliterated data, but also enables the models to effectively process transliterated data: the results show a consistent improvement of 3% to 34%, varying across different models and tasks.
Recent studies have shown that post-aligning multilingual pretrained language models (mPLMs) using alignment objectives on both original and transliterated data can improve crosslingual alignment. This improvement further leads to better crosslingual transfer performance. However, it remains unclear how and why a better crosslingual alignment is achieved, as this technique only involves transliterations, and does not use any parallel data. This paper attempts to explicitly evaluate the crosslingual alignment and identify the key elements in transliteration-based approaches that contribute to better performance. For this, we train multiple models under varying setups for two pairs of related languages: (1) Polish and Ukrainian and (2) Hindi and Urdu. To assess alignment, we define four types of similarities based on sentence representations. Our experiments show that adding transliterations alone improves the overall similarities, even for random sentence pairs. With the help of auxiliary alignment objectives, especially the contrastive objective, the model learns to distinguish matched from random pairs, leading to better alignments. However, we also show that better alignment does not always yield better downstream performance, suggesting that further research is needed to clarify the connection between alignment and performance.
Computational Linguistics
We explore the potential of pixel-based models for transfer learning from standard languages to dialects. These models convert text into images that are divided into patches, enabling a continuous vocabulary representation that proves especially useful for out-of-vocabulary words common in dialectal data. Using German as a case study, we compare the performance of pixel-based models to token-based models across various syntactic and semantic tasks. Our results show that pixel-based models outperform token-based models in part-of-speech tagging, dependency parsing and intent detection for zero-shot dialect evaluation by up to 26 percentage points in some scenarios, though not in Standard German. However, pixel-based models fall short in topic classification. These findings emphasize the potential of pixel-based models for handling dialectal data, though further research should be conducted to assess their effectiveness in various linguistic contexts.
AI and Computational Linguistics
The capacity of large language models (LLMs) to understand and distinguish socially unacceptable texts enables them to play a promising role in abusive language detection. However, various factors can affect their sensitivity. In this work, we test whether LLMs have an unintended bias in abusive language detection, i.e., whether they predict more or less of a given abusive class than expected in zero-shot settings. Our results show that instruction-tuned LLMs tend to under-predict positive classes, since datasets used for tuning are dominated by the negative class. On the contrary, models fine-tuned with human feedback tend to be overly sensitive. In an exploratory approach to mitigate these issues, we show that label frequency in the prompt helps with the significant over-prediction.
Slot and intent detection (SID) is a classic natural language understanding task. Despite this, research has only more recently begun focusing on SID for dialectal and colloquial varieties. Many approaches for low-resource scenarios have not yet been applied to dialectal SID data, or compared to each other on the same datasets. We participate in the VarDial 2025 shared task on slot and intent detection in Norwegian varieties, and compare multiple set-ups: varying the training data (English, Norwegian, or dialectal Norwegian), injecting character-level noise, training on auxiliary tasks, and applying Layer Swapping, a technique in which layers of models fine-tuned on different datasets are assembled into a model. We find noise injection to be beneficial while the effects of auxiliary tasks are mixed. Though some experimentation was required to successfully assemble a model from layers, it worked surprisingly well; a combination of models trained on English and small amounts of dialectal data produced the most robust slot predictions. Our best models achieve 97.6% intent accuracy and 85.6% slot F1 in the shared task.
AI and Computational Linguistics
AI and Computational Linguistics
Reliable slot and intent detection (SID) is crucial in natural language understanding for applications like digital assistants. Encoder-only transformer models fine-tuned on high-resource languages generally perform well on SID. However, they struggle with dialectal data, where no standardized form exists and training data is scarce and costly to produce. We explore zero-shot transfer learning for SID, focusing on multiple Bavarian dialects, for which we release a new dataset for the Munich dialect. We evaluate models trained on auxiliary tasks in Bavarian, and compare joint multi-task learning with intermediate-task training. We also compare three types of auxiliary tasks: token-level syntactic tasks, named entity recognition (NER), and language modelling. We find that the included auxiliary tasks have a more positive effect on slot filling than intent classification (with NER having the most positive effect), and that intermediate-task training yields more consistent performance gains. Our best-performing approach improves intent classification performance on Bavarian dialects by 5.1 and slot filling F1 by 8.4 percentage points.
AI and Computational Linguistics
Orthographic variation is very common in Luxembourgish texts due to the absence of a fully-fledged standard variety. Additionally, developing NLP tools for Luxembourgish is a difficult task given the lack of annotated and parallel data, which is exacerbated by ongoing standardization. In this paper, we propose the first sequence-to-sequence normalization models using the ByT5 and mT5 architectures with training data obtained from word-level real-life variation data. We perform a fine-grained, linguistically-motivated evaluation to test byte-based, word-based and pipeline-based models for their strengths and weaknesses in text normalization. We show that our sequence model using real-life variation data is an effective approach for tailor-made normalization in Luxembourgish.
High-performance batteries need accelerated discovery and optimization of new anode materials. Herein, we explore the Si─Ge─Sn ternary alloy system as a candidate fast-charging anode materials system by utilizing a scanning droplet cell (SDC) as an autonomous electrochemical characterization tool with the goal of subsequent upscaling. As the SDC is performing experiments sequentially, an exploration of the entire ternary space is unfeasible due to time constraints. Thus, closed-loop optimization, guided by real-time data analysis and sequential learning algorithms, is utilized to direct experiments. The lead material identified is scaled up to a coin cell to validate the findings from the autonomous millimeter-scale thin-film electrochemical experimentation. Explainable machine learning (ML) models incorporating data from high-throughput Raman spectroscopy and X-ray diffraction (XRD) are used to elucidate the effect of short and long-range ordering on material performance.
Quantitative bias analysis (QBA) permits assessment of the expected impact of various imperfections of the available data on the results and conclusions of a particular real-world study. This article extends QBA methodology to multivariable time-to-event analyses with right-censored endpoints, possibly including time-varying exposures or covariates. The proposed approach employs data-driven simulations, which preserve important features of the data at hand while offering flexibility in controlling the parameters and assumptions that may affect the results. First, the steps required to perform data-driven simulations are described, and then two examples of real-world time-to-event analyses illustrate their implementation and the insights they may offer. The first example focuses on the omission of an important time-invariant predictor of the outcome in a prognostic study of cancer mortality, and permits separating the expected impact of confounding bias from noncollapsibility. The second example assesses how imprecise timing of an interval-censored event—ascertained only at sparse times of clinic visits—affects its estimated association with a time-varying drug exposure. The simulation results also provide a basis for comparing the performance of two alternative strategies for imputing the unknown event times in this setting. The R scripts that permit the reproduction of our examples are provided.
Biometry in Molecular Medicine
Chemical ionization mass spectrometry (CIMS) is widely used in atmospheric chemistry studies. However, due to the complex interactions between reagent ions and target compounds, chemical understanding remains limited and compound identification difficult. In this study, we apply machine learning to a reference dataset of pesticides in two standard solutions to build a model that can provide insights from CIMS analyses in atmospheric science. The CIMS measurements were performed with an Orbitrap mass spectrometer coupled to a thermal desorption multi-scheme chemical ionization inlet unit (TD-MION-MS) with both negative and positive ionization modes utilizing Br−, , H3O+ and (CH3)2COH+ (AceH+) as reagent ions. We then trained two machine learning methods on these data: (1) random forest (RF) for classifying if a pesticide can be detected with CIMS and (2) kernel ridge regression (KRR) for predicting the expected CIMS signals. We compared their performance on five different representations of the molecular structure: the topological fingerprint (TopFP), the molecular access system keys (MACCS), a custom descriptor based on standard molecular properties (RDKitPROP), the Coulomb matrix (CM) and the many-body tensor representation (MBTR). The results indicate that MACCS outperforms the other descriptors. Our best classification model reaches a prediction accuracy of 0.85 ± 0.02 and a receiver operating characteristic curve area of 0.91 ± 0.01. Our best regression model reaches an accuracy of 0.44 ± 0.03 logarithmic units of the signal intensity. Subsequent feature importance analysis of the classifiers reveals that the most important sub-structures are NH and OH for the negative ionization schemes and nitrogen-containing groups for the positive ionization schemes.
Objectives: Adenomatous colorectal polyps require endoscopic resection, as opposed to non-adenomatous hyperplastic colorectal polyps. This study aims to evaluate the effect of artificial intelligence (AI)-assisted differentiation of adenomatous and non-adenomatous colorectal polyps at CT colonography on radiologists’ therapy management.
Materials and methods: Five board-certified radiologists evaluated CT colonography images with colorectal polyps of all sizes and morphologies retrospectively and decided whether the depicted polyps required endoscopic resection. After a primary unassisted reading based on current guidelines, a second reading with access to the classification of a radiomics-based random-forest AI-model labelling each polyp as ’non-adenomatous’ or ‘adenomatous’ was performed. Performance was evaluated using polyp histopathology as the reference standard.
Results: 77 polyps in 59 patients comprising 118 polyp image series (47% supine position, 53% prone position) were evaluated unassisted and AI-assisted by five independent board-certified radiologists, resulting in a total of 1180 readings (subsequent polypectomy: yes or no). AI-assisted readings had higher accuracy (76% +/− 1% vs. 84% +/− 1%), sensitivity (78% +/− 6% vs. 85% +/− 1%), and specificity (73% +/− 8% vs. 82% +/− 2%) in selecting polyps eligible for polypectomy (p < 0.001). Inter-reader agreement was improved in the AI-assisted readings (Fleiss’ kappa 0.69 vs. 0.92).
Conclusion: AI-based characterisation of colorectal polyps at CT colonography as a second reader might enable a more precise selection of polyps eligible for subsequent endoscopic resection. However, further studies are needed to confirm this finding and histopathologic polyp evaluation is still mandatory.
Statistical Learning and Data Science
Deep-learning-based classification of pollen grains has been a major driver towards automatic monitoring of airborne pollen. Yet, despite an abundance of available datasets, little effort has been spent to investigate which aspects pose the biggest challenges to the (often black-box- resembling) pollen classification approaches. To shed some light on this issue, we conducted a sample-level difficulty analysis based on the likelihood for one of the largest automatically-generated datasets of pollen grains on microscopy images and investigated the reason for which certain airborne samples and specific pollen taxa pose particular problems to deep learning algorithms. It is here concluded that the main challenges lie in A) the (partly) co-occurring of multiple pollen grains in a single image, B) the occlusion of specific markers through the 2D capturing of microscopy images, and C) for some taxa, a general lack of salient, unique features.
The development of affective computing and medical electronic technologies has led to the emergence of Artificial Intelligence (AI)-based methods for the early detection of depression. However, previous studies have often overlooked the necessity for the AI-assisted diagnosis system to be wearable and accessible in practical scenarios for depression recognition. In this work, we present an on-board executable multi-feature transfer-enhanced fusion model for our custom-designed wearable three-lead Electroencephalogram (EEG) sensor, based on EEG data collected from 73 depressed patients and 108 healthy controls. Experimental results show that the proposed model exhibits low-computational complexity (65.0 K parameters), promising Floating-Point Operations (FLOPs) performance (25.6 M), real-time processing (1.5 s/execution), and low power consumption (320.8 mW). Furthermore, it requires only 202.0 KB of Random Access Memory (RAM) and 279.6 KB of Read-Only Memory (ROM) when deployed on the EEG sensor. Despite its low computational and spatial complexity, the model achieves a notable classification accuracy of 95.2%, specificity of 94.0%, and sensitivity of 96.9% under independent test conditions. These results underscore the potential of deploying the model on the wearable three-lead EEG sensor for assisting in the diagnosis of depression.
High-quality annotations are a critical success factor for machine learning (ML) applications. To achieve this, we have
traditionally relied on human annotators, navigating the challenges of limited budgets and the varying task-specific expertise, costs, and availability. Since the emergence of Large Language Models (LLMs), their popularity for generating automated annotations has grown, extending possibilities and complexity of designing an efficient annotation strategy. Increasingly, computer vision capabilities have been integrated into general-purpose LLMs like ChatGPT. This raises the question of how effectively LLMs can be used in satellite image annotation tasks and how they compare to traditional annotator types. This study presents a comprehensive investigation and comparison of various human and automated annotators for image classification. We evaluate the feasibility and economic competitiveness of using the ChatGPT4-V model for a complex land usage annotation task and compare it with alternative human annotators. A set of satellite images is annotated by a domain expert and 15 additional human and automated annotators, differing in expertise and costs. Our analyses examine the annotation quality loss between the expert and other annotators. This comparison is conducted through (1) descriptive analyses, (2) fitting linear probability models, and (3) comparing F1-scores. Ultimately, we simulate annotation strategies where samples are split according to an automatically assigned certainty score. Routing low-certainty images to human annotators can cut total annotation costs by over 50% with minimal impact on label quality. We discuss implications regarding the economic competitiveness of annotation strategies, prompt engineering and the task-specificity of expertise.
Foundation models are widely utilised for their strong representational capabilities, driven by training on extensive datasets with self-supervised learning. The increasing complexity of these models highlights the importance of interpretability to enhance transparency and improve human understanding of their decision-making processes. Most existing interpretability methods explain model behaviour by attributing importance to individual data elements across different layers, based on their influence on the final prediction. These approaches often emphasise only the most relevant features, overlooking the broader representational space, removing less important features. In this study, we propose a novel framework for explanation generation that serves as an alternative to feature removal, offering a more comprehensive understanding of model behaviour. Our framework leverages the generative abilities of audio language models to replace removed features with contextually appropriate alternatives, providing a more complete view of the model’s decision-making process. Through extensive evaluations on standard benchmarks, including keyword spotting and speech emotion recognition, our approach demonstrates its effectiveness in generating high-quality audio explanations.
Automated Depression Detection (ADD) in speech aims to automatically estimate one’s depressive attributes through artificial intelligence tools towards spoken signals. Nevertheless, existing speech-based ADD works fail to sufficiently consider weakly-supervised cases with inaccurate labels, which may typically appear in intelligent mental health. In this regard, we propose the Self-Learning-based Label Correction (SLLC) approach for weakly-supervised depression detection in speech. The proposed approach employs a self-learning manner connecting a label correction module and a depression detection module. Within the approach, the label correction module fuses likelihood-ratio-based and prototype-based label correction strategies in order to effectively correct the inaccurate labels, while the depression detection module aims at detecting depressed samples through a 1D convolutional recurrent neural network with multiple types of losses. The experimental results on two depression detection corpora show that our proposed SLLC approach performs better compared with existing state-of-the-art speech-based depression detection approaches, in the case of weak supervision with inaccurate labels for depression detection in speech.
Accurate extraction of building footprints from satellite imagery is of high value. Currently, deep learning methods are predominant in this field due to their powerful representation capabilities. However, they generally require extensive pixel-wise annotations, which constrains their practical application. Semi-supervised learning (SSL) significantly mitigates this requirement by leveraging large volumes of unlabeled data for model self-training (ST), thus enhancing the viability of building footprint extraction. Despite its advantages, SSL faces a critical challenge: the imbalanced distribution between the majority background class and the minority building class, which often results in model bias toward the background during training. To address this issue, this article introduces a novel method called DeBiased matching (DBMatch) for semi-supervised building footprint extraction. DBMatch comprises three main components: 1) a basic supervised learning module (SUP) that uses labeled data for initial model training; 2) a classical weak-to-strong ST module that generates pseudo-labels from unlabeled data for further model ST; and 3) a novel logit debiasing (LDB) module that calculates a global logit bias between building and background, allowing for dynamic pseudo-label calibration. To verify the effectiveness of the proposed DBMatch, extensive experiments are performed on three public building footprint extraction datasets covering six global cities in SSL setting. The experimental results demonstrate that our method significantly outperforms some advanced SSL methods in semi-supervised building footprint extraction.
Automatic report generation has arisen as a significant research area in computer-aided diagnosis, aiming to alleviate the burden on clinicians by generating reports automatically based on medical images. In this work, we propose a novel framework for automatic ultrasound report generation, leveraging a combination of unsupervised and supervised learning methods to aid the report generation process. Our framework incorporates unsupervised learning methods to extract potential knowledge from ultrasound text reports, serving as the prior information to guide the model in aligning visual and textual features, thereby addressing the challenge of feature discrepancy. Additionally, we design a global semantic comparison mechanism to enhance the performance of generating more comprehensive and accurate medical reports. To enable the implementation of ultrasound report generation, we constructed three large-scale ultrasound image-text datasets from different organs for training and validation purposes. Extensive evaluations with other state-of-the-art approaches exhibit its superior performance across all three datasets.
Computer Aided Medical Procedures & Augmented Reality
Earth observation (EO) has inevitably entered the Big Data era. The computational challenge associated with analyzing large EO data using sophisticated deep learning models has become a significant bottleneck. To address this challenge, there has been a growing interest in exploring quantum computing as a potential solution. However, the process of encoding EO data into quantum states for analysis potentially undermines the efficiency advantages gained from quantum computing. This article introduces a hybrid quantum deep learning model that effectively encodes and analyzes EO data for classification tasks. The proposed model uses an efficient encoding approach called superpixel encoding, which reduces the quantum resources required for large image representation by incorporating the concept of superpixels. To validate the effectiveness of our model, we conducted evaluations on multiple EO benchmarks, including Overhead-MNIST, So2Sat LCZ42, and SAT-6 datasets. In addition, we studied the impacts of different interaction gates and measurements on classification performance to guide model optimization. The experimental results suggest the validity of our model for accurate classification of EO data.
Background: Chronic obstructive pulmonary disease (COPD) affects breathing, speech production, and coughing. We evaluated a machine learning analysis of speech for classifying the disease severity of COPD.
Methods: In this single centre study, non-consecutive COPD patients were prospectively recruited for comparing their speech characteristics during and after an acute COPD exacerbation. We extracted a set of spectral, prosodic, and temporal variability features, which were used as input to a support vector machine (SVM). Our baseline for predicting patient state was an SVM model using self-reported BORG and COPD Assessment Test (CAT) scores.
Results: In 50 COPD patients (52% males, 22% GOLD II, 44% GOLD III, 32% GOLD IV, all patients group E), speech analysis was superior in distinguishing during and after exacerbation status compared to BORG and CAT scores alone by achieving 84% accuracy in prediction. CAT scores correlated with reading rhythm, and BORG scales with stability in articulation. Pulmonary function testing (PFT) correlated with speech pause rate and speech rhythm variability.
Conclusion: Speech analysis may be a viable technology for classifying COPD status, opening up new opportunities for remote disease monitoring.
Age estimations are relevant for pre-trial detention, sentencing in criminal cases and as part of the evaluation in asylum processes to protect the rights and privileges of minors. No current method can determine an exact chronological age due to individual variations in biological development. This study seeks to develop a validated statistical model for estimating an age relative to key legal thresholds (15, 18, and 21 years) based on a skeletal (CT-clavicle, radiography-hand/wrist or MR-knee) and tooth (radiography-third molar) developmental stages. The whole model is based on 34 scientific studies, divided into examinations of the hand/wrist (15 studies), clavicle (5 studies), distal femur (4 studies), and third molars (10 studies). In total, data from approximately 27,000 individuals have been incorporated and the model has subsequently been validated with data from 5,000 individuals. The core framework of the model is built upon transition analysis and is further developed by a combination of a type of parametric bootstrapping and Bayesian theory. Validation of the model includes testing the models on independent datasets of individuals with known ages and shows a high precision with separate populations aligning closely with the model’s predictions. The practical use of the complex statistical model requires a user-friendly tool to provide probabilities together with the margin of error. The assessment based on the model forms the medical component for the overall evaluation of an individual’s age.
I am grateful to James Cordeiro, Timothy Murphy, Heloise Robinson and Teresa Baron for their perceptive and stimulating comments on my article in this journal. In what follows, I seek to respond to some of the main points raised in each commentary.
Parenting our biological children is a centrally important matter, but how, if it all, can it be justified? According to a contemporary influential line of thinking, the acquisition by parents of a moral right to parent their biological children should be grounded by appeal to the value of the intimate emotional relationship that gestation facilitates between a newborn and a gestational procreator. I evaluate two arguments in defence of this proposal and argue that both are unconvincing.Data are available in a public, open access repository.
Accurate assessment of lymph node size in 3D CT scans is crucial for cancer staging, therapeutic management, and monitoring treatment response. Existing state-of-the-art segmentation frameworks in medical imaging often rely on fully annotated datasets. However, for lymph node segmentation, these datasets are typically small due to the extensive time and expertise required to annotate the numerous lymph nodes in 3D CT scans. Weakly-supervised learning, which leverages incomplete or noisy annotations, has recently gained interest in the medical imaging community as a potential solution. Despite the variety of weakly-supervised techniques proposed, most have been validated only on private datasets or small publicly available datasets. To address this limitation, the Mediastinal Lymph Node Quantification (LNQ) challenge was organized in conjunction with the 26th International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI 2023). This challenge aimed to advance weakly-supervised segmentation methods by providing a new, partially annotated dataset and a robust evaluation framework. A total of 16 teams from 5 countries submitted predictions to the validation leaderboard, and 6 teams from 3 countries participated in the evaluation phase. The results highlighted both the potential and the current limitations of weakly-supervised approaches. On one hand, weakly-supervised approaches obtained relatively good performance with a median Dice score of 61.0%. On the other hand, top-ranked teams, with a median Dice score exceeding 70%, boosted their performance by leveraging smaller but fully annotated datasets to combine weak supervision and full supervision. This highlights both the promise of weakly-supervised methods and the ongoing need for high-quality, fully annotated data to achieve higher segmentation performance.
Background: Deep learning-based methods led to significant advancements in many areas of medical imaging, most of which are concerned with the reduction of artifacts caused by motion, scatter, or noise. However, with most neural networks being black boxes, they remain notoriously difficult to interpret, hindering their clinical implementation. In particular, it has been shown that networks exhibit invariances w.r.t. input features, that is, they learn to ignore certain information in the input data.
Purpose: To improve the interpretability of deep learning-based low-dose CT image denoising networks.
Methods: We learn a complete data representation of low-dose input images using a conditional variational autoencoder (cVAE). In this representation, invariances of any given denoising network are then disentangled from the information it is not invariant to using a conditional invertible neural network (cINN). At test time, image-space invariances are generated by applying the inverse of the cINN and subsequent decoding using the cVAE. We propose two methods to analyze sampled invariances and to find those that correspond to alterations of anatomical structures.
Results: The proposed method is applied to four popular deep learning-based low-dose CT image denoising networks. We find that the networks are not only invariant to noise amplitude and realizations, but also to anatomical structures.
Conclusions: The proposed method is capable of reconstructing and analyzing invariances of deep learning-based low-dose CT image denoising networks. This is an important step toward interpreting deep learning-based methods for medical imaging, which is essential for their clinical implementation.
We study a controversial application of algorithmic profiling in the public sector, the Austrian AMAS system. AMAS was supposed to help caseworkers at the Public Employment Service (PES) Austria to allocate support measures to job seekers based on their predicted chance of (re-)integration into the labor market. Shortly after its release, AMAS was criticized for its apparent unequal treatment of job seekers based on gender and citizenship. We systematically investigate the AMAS model using a novel real-world dataset of young job seekers from Vienna, which allows us to provide the first empirical evaluation of the AMAS model with a focus on fairness measures. We further apply bias mitigation strategies to study their effectiveness in our real-world setting. Our findings indicate that the prediction performance of the AMAS model is insufficient for use in practice, as more than 30% of job seekers would be misclassified in our use case. Further, our results confirm that the original model is biased with respect to gender as it tends to (incorrectly) assign women to the group with high chances of re-employment, which is not prioritized in the PES’ allocation of support measures. However, most bias mitigation strategies were able to improve fairness without compromising performance and thus may form an important building block in revising profiling schemes in the present context.
A major uncertainty in predicting the behaviour of marine-terminating glaciers is ice dynamics driven by non-linear calving front retreat, which is poorly understood and modelled. Using 124919 calving front positions for 149 marine-terminating glaciers in Svalbard from 1985 to 2023, generated with deep learning, we identify pervasive calving front retreats for non-surging glaciers over the past 38 years. We observe widespread seasonal cycles in calving front position for over half of the glaciers. At the seasonal timescale, peak retreat rates exhibit a several-month phase lag, with changes on the west coast occurring before those on the east coast, coincident with regional ocean warming. This spatial variability in seasonal patterns is linked to different timings of warm ocean water inflow from the West Spitsbergen Current, demonstrating the dominant role of ice-ocean interaction in seasonal front changes. The interannual variability of calving front retreat shows a strong sensitivity to both atmospheric and oceanic warming, with immediate responses to large air and ocean temperature anomalies in 2016 and 2019, likely driven by atmospheric blocking that can influence extreme temperature variability. With more frequent blocking occurring and continued regional warming, future calving front retreats will likely intensify, leading to more significant glacier mass loss.
Language is a uniquely human trait at the core of human interactions. The language people use often reflects their personality, intentions and state of mind. With the integration of the Internet and social media into everyday life, much of human communication is documented as written text. These online forms of communication (for example, blogs, reviews, social media posts and emails) provide a window into human behaviour and therefore present abundant research opportunities for behavioural science. In this Review, we describe how natural language processing (NLP) can be used to analyse text data in behavioural science. First, we review applications of text data in behavioural science. Second, we describe the NLP pipeline and explain the underlying modelling approaches (for example, dictionary-based approaches and large language models). We discuss the advantages and disadvantages of these methods for behavioural science, in particular with respect to the trade-off between interpretability and accuracy. Finally, we provide actionable recommendations for using NLP to ensure rigour and reproducibility.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Digital duplicates reduce the scarcity of individuals and thus may impact their instrumental and intrinsic value. I here expand upon this idea by introducing the notion of collective scarcity, which pertains to the limitations faced by social groups in maintaining their size, cohesion and function.
Large language models (LLMs) are being increasingly incorporated into scientific workflows. However, we have yet to fully grasp the implications of this integration. How should the advancement of large language models affect the practice of science? For this opinion piece, we have invited four diverse groups of scientists to reflect on this query, sharing their perspectives and engaging in debate. Schulz et al. make the argument that working with LLMs is not fundamentally different from working with human collaborators, while Bender et al. argue that LLMs are often misused and overhyped, and that their limitations warrant a focus on more specialized, easily interpretable tools. Marelli et al. emphasize the importance of transparent attribution and responsible use of LLMs. Finally, Botvinick and Gershman advocate that humans should retain responsibility for determining the scientific roadmap. To facilitate the discussion, the four perspectives are complemented with a response from each group. By putting these different perspectives in conversation, we aim to bring attention to important considerations within the academic community regarding the adoption of LLMs and their impact on both current and future scientific practices.
Interpretable and Reliable Machine Learning
We address the computational barrier of deploying advanced deep learning segmentation models in clinical settings by studying the efficacy of network compression through tensor decomposition. We propose a post-training Tucker factorization that enables the decomposition of pre-existing models to reduce computational requirements without impeding segmentation accuracy. We applied Tucker decomposition to the convolutional kernels of the TotalSegmentator (TS) model, an nnU-Net model trained on a comprehensive dataset for automatic segmentation of 117 anatomical structures. Our approach reduced the floating-point operations (FLOPs) and memory required during inference, offering an adjustable trade-off between computational efficiency and segmentation quality. This study utilized the publicly available TS dataset, employing various downsampling factors to explore the relationship between model size, inference speed, and segmentation performance. The application of Tucker decomposition to the TS model substantially reduced the model parameters and FLOPs across various compression rates, with limited loss in segmentation accuracy. We removed up to 88% of the model’s parameters with no significant performance changes in the majority of classes after fine-tuning. Practical benefits varied across different graphics processing unit (GPU) architectures, with more distinct speed-ups on less powerful hardware. Post-hoc network compression via Tucker decomposition presents a viable strategy for reducing the computational demand of medical image segmentation models without substantially sacrificing accuracy. This approach enables the broader adoption of advanced deep learning technologies in clinical practice, offering a way to navigate the constraints of hardware capabilities.
Statistics, Data Science and Machine Learning
In this paper, we consider ensembles of control-affine systems in ℝd, and we study simultaneous optimal control problems related to the worst-case minimization. After proving that such problems admit solutions, denoting with (ΘN)N a sequence of compact sets that parametrize the ensembles of systems, we first show that the corresponding minimax optimal control problems are Γ-convergent whenever (ΘN)N has a limit with respect to the Hausdorff distance. Besides its independent interest, the previous result plays a crucial role for establishing the Pontryagin Maximum Principle (PMP) when the ensemble is parametrized by a set Θ consisting of infinitely many points. Namely, we first approximate Θ by finite and increasing-in-size sets (ΘN)N for which the PMP is known, and then we derive the PMP for the Γ-limiting problem. The same strategy can be pursued in applications, where we can reduce infinite ensembles to finite ones to compute the minimizers numerically. We bring as a numerical example the Schrödinger equation for a qubit with uncertain resonance frequency.
Applied Numerical Analysis
Loss of kidney function is a substantial personal and public health burden. Kidney function is typically assessed as estimated glomerular filtration rate (eGFR) based on serum creatinine. UK Biobank provides serum creatinine measurements from study center assessments (SC, n = 425,147 baseline, n = 15,314 with follow-up) and emerging electronic Medical Records (eMR, ‘GP-clinical’) present a promising resource to augment this data longitudinally. However, it is unclear whether eMR-based and SC-based creatinine values can be used jointly for research on eGFR decline. When comparing eMR-based with SC-based creatinine by calendar year (n = 70,231), we found a year-specific multiplicative bias for eMR-based creatinine that decreased over time (factor 0.84 for 2007, 0.97 for 2013). Deriving eGFR based on SC- and bias-corrected eMR-creatinine yielded 454,907 individuals with ≥ 1eGFR assessment (2,102,174 assessments). This included 206,063 individuals with ≥ 2 assessments over up to 60.2 years (median 6.00 assessments, median time = 8.7 years), where we also obtained eMR-based information on kidney disease or renal replacement therapy. We found an annual eGFR decline of 0.11 (95%-CI = 0.10–0.12) versus 1.04 mL/min/1.73m2/year (9%-CI = 1.03–1.05) without and with bias-correction, the latter being in line with literature. In summary, our bias-corrected eMR-based creatinine values enabled a 4-fold increased number of eGFR assessments in UK Biobank suitable for kidney function research.
Statistical Consulting Unit (StaBLab)
Active learning (AL) has shown promise to be a particularly data-efficient machine learning approach. Yet, its performance depends on the application, and it is not clear when AL practitioners can expect computational savings. Here, we carry out a systematic AL performance assessment for three diverse molecular datasets and two common scientific tasks: compiling compact, informative datasets and targeted molecular searches. We implemented AL with Gaussian processes (GP) and used the many-body tensor as molecular representation. For the first task, we tested different data acquisition strategies, batch sizes, and GP noise settings. AL was insensitive to the acquisition batch size, and we observed the best AL performance for the acquisition strategy that combines uncertainty reduction with clustering to promote diversity. However, for optimal GP noise settings, AL did not outperform the randomized selection of data points. Conversely, for targeted searches, AL outperformed random sampling and achieved data savings of up to 64%. Our analysis provides insight into this task-specific performance difference in terms of target distributions and data collection strategies. We established that the performance of AL depends on the relative distribution of the target molecules in comparison to the total dataset distribution, with the largest computational savings achieved when their overlap is minimal.
In a typical Bayesian inference problem, the data likelihood is not known. However, in recent
years, machine learning methods for density estimation can allow for inference using an estimator
of the data likelihood. This likelihood estimator is fit with neural networks that are trained on
simulations to maximise the likelihood of the simulation-parameter pairs - one of the many
available tools for Simulation Based Inference (SBI), (Cranmer et al., 2020)…
Astrophysics, Cosmology and Artificial Intelligence
Clinical theories suggest that trauma-focused interventions reduce intrusive memories while preserving voluntary recall. However, concerns persist that they may inadvertently compromise factual memory content. To test these contrasting predictions, we examined the effects of Eye Movement Desensitization and Reprocessing (EMDR), Imagery Rescripting (ImRs), Imaginal Exposure (IE), on involuntary and voluntary memories of an aversive autobiographical event. Healthy participants (N = 182), recruited between 2021 and 2023, completed a free recall task before receiving either one of the interventions or no intervention (NIC). One week later, the recall task was repeated. Intrusion load and frequency were assessed with an app-diary; psychophysiological responses to intrusions were assessed in a laboratory task. Independent raters evaluated disorganization, coherence, consistency of voluntary memory. All interventions reduced intrusion load, but only ImRs decreased intrusion frequency compared to NIC. Psychophysiological responses to intrusions showed no group differences. IE improved the structural organization of voluntary memory by reducing disorganized thoughts, while EMDR and ImRs enhanced conceptual organization by increasing contextual coherence. None of the interventions impaired memory consistency, with no group differences in contradictions or omissions. These findings suggest that these interventions reduce distressing intrusions without compromising voluntary memory. Further research should replicate these effects in clinical samples.
Statistical Consulting Unit (StaBLab)
Dark-field radiography of the human chest has been demonstrated to have promising potential for the analysis of the lung microstructure and the diagnosis of respiratory diseases. However, previous studies of dark-field chest radiographs evaluated the lung signal only in the inspiratory breathing state. Our work aims to add a new perspective to these previous assessments by locally comparing dark-field lung information between different respiratory states. To this end, we discuss suitable image registration methods for dark-field chest radiographs to enable consistent spatial alignment of the lung in distinct breathing states. Utilizing full inspiration and expiration scans from a clinical chronic obstructive pulmonary disease study, we assess the performance of the proposed registration framework and outline applicable evaluation approaches. Our regional characterization of lung dark-field signal changes between the breathing states provides a proof-of-principle that dynamic radiography-based lung function assessment approaches may benefit from considering registered dark-field images in addition to standard plain chest radiographs.
Traditional ultrasound simulators solve the wave equation to model pressure distribution fields, achieving high accuracy but requiring significant computational time and resources. To address this, ray tracing approaches have been introduced, modeling wave propagation as rays interacting with boundaries and scatterers. However, existing models simplify ray propagation, generating echoes at interaction points without considering return paths to the sensor. This can result in unrealistic artifacts and necessitates careful scene tuning for plausible results. We propose a novel ultrasound simulation pipeline that utilizes a ray tracing algorithm to generate echo data, tracing each ray from the transducer through the scene and back to the sensor. To replicate advanced ultrasound imaging, we introduce a ray emission scheme optimized for plane wave imaging, incorporating delay and steering capabilities. Furthermore, we integrate a standard signal processing pipeline to simulate end-to-end ultrasound image formation. We showcase the efficacy of the proposed pipeline by modeling synthetic scenes featuring highly reflective objects, such as bones. In doing so, our proposed approach, UltraRay, not only enhances the overall visual quality but also improves the realism of the simulated images by accurately capturing secondary reflections and reducing unnatural artifacts. By building on top of a differentiable framework, the proposed pipeline lays the groundwork for a fast and differentiable ultrasound simulation tool necessary for gradient-based optimization, enabling advanced ultrasound beamforming strategies, neural network integration, and accurate inverse scene reconstruction.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Models trained on crowdsourced labels may not reflect broader population views when annotator pools are not representative. Since collecting representative labels is challenging, we propose Population-Aligned Instance Replication (PAIR), a method to address this bias through statistical adjustment. Using a simulation study of hate speech and offensive language detection, we create two types of annotators with different labeling tendencies and generate datasets with varying proportions of the types. Models trained on unbalanced annotator pools show poor calibration compared to those trained on representative data. However, PAIR, which duplicates labels from underrepresented annotator groups to match population proportions, significantly reduces bias without requiring new data collection. These results suggest statistical techniques from survey research can help align model training with target populations even when representative annotator pools are unavailable. We conclude with three practical recommendations for improving training data quality.
Large language models (LLMs) are increasingly prevalent in recommender systems, where LLMs can be used to generate personalized recommendations. Here, we examine how different LLM-generated explanations for movie recommendations affect users’ perceptions of cognitive, affective, and utilitarian needs and consumption intentions. In a pre-registered, between-subject online experiment (N=759) and follow-up interviews (N=30), we compare (a) LLM-generated generic explanations, and (b) LLM-generated contextualized explanations. Our findings show that contextualized explanations (i.e., explanations that incorporate users’ past behaviors) effectively meet users’ cognitive needs while increasing users’ intentions to watch recommended movies. However, adding explanations offers limited benefits in meeting users’ utilitarian and affective needs, raising concerns about the proper design and implications of LLM-generated explanations. Qualitative insights from interviews reveal that referencing users’ past preferences enhances trust and understanding but can feel excessive if overused. Furthermore, users with more active and positive engagement with the recommender system and movie-watching get substantial gains from contextualized explanations. Overall, our research clarifies how LLM-generated recommendations influence users’ motivations and behaviors, providing valuable insights for the future development of user-centric recommender systems, a key element in social media platforms and online ecosystems.
Artificial Intelligence in Management
Machine learning is increasingly used in government programs to identify and support the most vulnerable individuals, prioritizing assistance for those at greatest risk over optimizing aggregate outcomes. This paper examines the welfare impacts of prediction in equity-driven contexts, and how they compare to other policy levers, such as expanding bureaucratic capacity. Through mathematical models and a real-world case study on long-term unemployment amongst German residents, we develop a comprehensive understanding of the relative effectiveness of prediction in surfacing the worst-off. Our findings provide clear analytical frameworks and practical, data-driven tools that empower policymakers to make principled decisions when designing these systems.
Social Data Science and AI
Glioblastoma, a highly aggressive brain tumor, poses major challenges due to its poor prognosis and high morbidity rates. Partial differential equation-based models offer promising potential to enhance therapeutic outcomes by simulating patient-specific tumor behavior for improved radiotherapy planning. However, model calibration remains a bottleneck due to the high computational demands of optimization methods like Monte Carlo sampling and evolutionary algorithms. To address this, we recently introduced an approach leveraging a neural forward solver with gradient-based optimization to significantly reduce calibration time. This approach requires a highly accurate and fully differentiable forward model. We investigate multiple architectures, including (i) an enhanced TumorSurrogate, (ii) a modified nnU-Net, and (iii) a 3D Vision Transformer (ViT). The optimized TumorSurrogate achieved the best overall results, excelling in both tumor outline matching and voxel-level prediction of tumor cell concentration. It halved the MSE relative to the baseline model and achieved the highest Dice score across all tumor cell concentration thresholds. Our study demonstrates significant enhancement in forward solver performance and outlines important future research directions.
Predicting future brain states is crucial for understanding healthy aging and neurodegenerative diseases. Longitudinal brain MRI registration, a cornerstone for such analyses, has long been limited by its inability to forecast future developments, reliance on extensive, dense longitudinal data, and the need to balance registration accuracy with temporal smoothness. In this work, we present emph{TimeFlow}, a novel framework for longitudinal brain MRI registration that overcomes all these challenges. Leveraging a U-Net architecture with temporal conditioning inspired by diffusion models, TimeFlow enables accurate longitudinal registration and facilitates prospective analyses through future image prediction. Unlike traditional methods that depend on explicit smoothness regularizers and dense sequential data, TimeFlow achieves temporal consistency and continuity without these constraints. Experimental results highlight its superior performance in both future timepoint prediction and registration accuracy compared to state-of-the-art methods. Additionally, TimeFlow supports novel biological brain aging analyses, effectively differentiating neurodegenerative conditions from healthy aging. It eliminates the need for segmentation, thereby avoiding the challenges of non-trivial annotation and inconsistent segmentation errors. TimeFlow paves the way for accurate, data-efficient, and annotation-free prospective analyses of brain aging and chronic diseases.
Fabian Bongratz
Artificial Intelligence in Medical Imaging
Occupational data play a vital role in research, official statistics, and policymaking, yet their collection and accurate classification remain a persistent challenge. This study investigates the effects of occupational question wording on data variability and the performance of automatic coding tools. Through a series of survey experiments conducted and replicated in Germany, we tested two widely-used occupational question formats: one focusing on ‘job title’ (Berufsbezeichnung) and another on ‘occupational tasks’ (berufliche Tätigkeit). Our analysis reveals that automatic coding tools, such as CASCOT and OccuCoDe, exhibit significant sensitivity to the form and origin of the data. Specifically, these tools performed more efficiently when coding responses to the job title question format compared to the occupational task format. Additionally, we found that including examples of main tasks and duties in the questions led respondents to provide more detailed but less linguistically diverse responses. This reduced diversity may negatively affect the precision of automatic coding. These findings highlight the importance of tailoring automatic coding tools to the specific structure and origin of the data they are applied to. We emphasize the need for further research to optimize question design and coding tools for greater accuracy and applicability in occupational data collection.
Social Data Science and AI
Social Data Science and AI
Training machine learning models for fair decisions faces two key challenges: The fairness-accuracy trade-off results from enforcing fairness which weakens its predictive performance in contrast to an unconstrained model. The incompatibility of different fairness metrics poses another trade-off – also known as the impossibility theorem. Recent work identifies the bias within the observed data as a possible root cause and shows that fairness and predictive performance are in fact in accord when predictive performance is measured on unbiased data. We offer a causal explanation for these findings using the framework of the FiND (fictitious and normatively desired) world, a ‘fair’ world, where protected attributes have no causal effects on the target variable. We show theoretically that (i) classical fairness metrics deemed to be incompatible are naturally satisfied in the FiND world, while (ii) fairness aligns with high predictive performance. We extend our analysis by suggesting how one can benefit from these theoretical insights in practice, using causal pre-processing methods that approximate the FiND world. Additionally, we propose a method for evaluating the approximation of the FiND world via pre-processing in practical use cases where we do not have access to the FiND world. In simulations and empirical studies, we demonstrate that these pre-processing methods are successful in approximating the FiND world and resolve both trade-offs. Our results provide actionable solutions for practitioners to achieve fairness and high predictive performance simultaneously.
Statistical Learning and Data Science
Statistical Learning and Data Science
Efficient preference optimization algorithms such as Direct Preference Optimization (DPO) have become a popular approach in aligning large language models (LLMs) with human preferences. These algorithms implicitly treat the LLM as a reward model, and focus on training it to correct misranked preference pairs. However, recent work~citep{chen2024preference} empirically finds that DPO training textit{rarely improves these misranked preference pairs}, despite its gradient emphasizing on these cases. We introduce FocalPO, a DPO variant that instead textit{down-weighs} misranked preference pairs and prioritizes enhancing the model’s understanding of pairs that it can already rank correctly. Inspired by Focal Loss used in vision tasks, FocalPO achieves this by adding a modulating factor to dynamically scale DPO loss. Our experiment demonstrates that FocalPO surpasses DPO and its variants on popular benchmarks like Alpaca Eval 2.0 using Mistral-Base-7B and Llama-3-Instruct-8B. Additionally, we empirically reveals how FocalPO affects training on correct and incorrect sample groups, further underscoring its effectiveness.
Conformal prediction has emerged as a widely used framework for constructing valid prediction sets in classification and regression tasks. In this work, we extend the split conformal prediction framework to hierarchical classification, where prediction sets are commonly restricted to internal nodes of a predefined hierarchy, and propose two computationally efficient inference algorithms. The first algorithm returns internal nodes as prediction sets, while the second relaxes this restriction, using the notion of representation complexity, yielding a more general and combinatorial inference problem, but smaller set sizes. Empirical evaluations on several benchmark datasets demonstrate the effectiveness of the proposed algorithms in achieving nominal coverage.
Artificial Intelligence and Machine Learning
Transformers have emerged as the dominant architecture in the field of deep learning, with a broad range of applications and remarkable in-context learning (ICL) capabilities. While not yet fully understood, ICL has already proved to be an intriguing phenomenon, allowing transformers to learn in context – without requiring further training. In this paper, we further advance the understanding of ICL by demonstrating that transformers can perform full Bayesian inference for commonly used statistical models in context. More specifically, we introduce a general framework that builds on ideas from prior fitted networks and continuous normalizing flows which enables us to infer complex posterior distributions for methods such as generalized linear models and latent factor models. Extensive experiments on real-world datasets demonstrate that our ICL approach yields posterior samples that are similar in quality to state-of-the-art MCMC or variational inference methods not operating in context.
Statistics, Data Science and Machine Learning
Stylizing a dynamic scene based on an exemplar image is critical for various real-world applications, including gaming, filmmaking, and augmented and virtual reality. However, achieving consistent stylization across both spatial and temporal dimensions remains a significant challenge. Most existing methods are designed for static scenes and often require an optimization process for each style image, limiting their adaptability. We introduce ZDySS, a zero-shot stylization framework for dynamic scenes, allowing our model to generalize to previously unseen style images at inference. Our approach employs Gaussian splatting for scene representation, linking each Gaussian to a learned feature vector that renders a feature map for any given view and timestamp. By applying style transfer on the learned feature vectors instead of the rendered feature map, we enhance spatio-temporal consistency across frames. Our method demonstrates superior performance and coherence over state-of-the-art baselines in tests on real-world dynamic scenes, making it a robust solution for practical applications.
Computer Vision & Artificial Intelligence
Computer Vision & Artificial Intelligence
Computer Vision & Artificial Intelligence
Proposed in Hyvärinen (2005), score matching is a parameter estimation procedure that does not require computation of distributional normalizing constants. In this work we utilize the geometric median of means to develop a robust score matching procedure that yields consistent parameter estimates in settings where the observed data has been contaminated. A special appeal of the proposed method is that it retains convexity in exponential family models. The new method is therefore particularly attractive for non-Gaussian, exponential family graphical models where evaluation of normalizing constants is intractable. Support recovery guarantees for such models when contamination is present are provided. Additionally, support recovery is studied in numerical experiments and on a precipitation dataset. We demonstrate that the proposed robust score matching estimator performs comparably to the standard score matching estimator when no contamination is present but greatly outperforms this estimator in a setting with contamination.
The Random Forest (RF) classifier is often claimed to be relatively well calibrated when compared with other machine learning methods. Moreover, the existing literature suggests that traditional calibration methods, such as isotonic regression, do not substantially enhance the calibration of RF probability estimates unless supplied with extensive calibration data sets, which can represent a significant obstacle in cases of limited data availability. Nevertheless, there seems to be no comprehensive study validating such claims and systematically comparing state-of-the-art calibration methods specifically for RF. To close this gap, we investigate a broad spectrum of calibration methods tailored to or at least applicable to RF, ranging from scaling techniques to more advanced algorithms. Our results based on synthetic as well as real-world data unravel the intricacies of RF probability estimates, scrutinize the impacts of hyper-parameters, compare calibration methods in a systematic way. We show that a well-optimized RF performs as well as or better than leading calibration approaches.
Artificial Intelligence and Machine Learning
The DeepFilterNet (DFN) architecture was recently proposed as a deep learning model suited for hearing aid devices. Despite its competitive performance on numerous benchmarks, it still follows a `one-size-fits-all’ approach, which aims to train a single, monolithic architecture that generalises across different noises and environments. However, its limited size and computation budget can hamper its generalisability. Recent work has shown that in-context adaptation can improve performance by conditioning the denoising process on additional information extracted from background recordings to mitigate this. These recordings can be offloaded outside the hearing aid, thus improving performance while adding minimal computational overhead. We introduce these principles to the DFN model, thus proposing the DFingerNet (DFiN) model, which shows superior performance on various benchmarks inspired by the DNS Challenge.
The deployment of deep learning models in critical domains necessitates a balance between high accuracy and interpretability. We introduce WASUP, an inherently interpretable neural network that provides local and global explanations of its decision-making process. We prove that these explanations are faithful by fulfilling established axioms for explanations. Leveraging the concept of case-based reasoning, WASUP extracts class-representative support vectors from training images, ensuring they capture relevant features while suppressing irrelevant ones. Classification decisions are made by calculating and aggregating similarity scores between these support vectors and the input’s latent feature vector. We employ B-Cos transformations, which align model weights with inputs to enable faithful mappings of latent features back to the input space, facilitating local explanations in addition to global explanations of case-based reasoning. We evaluate WASUP on three tasks: fine-grained classification on Stanford Dogs, multi-label classification on Pascal VOC, and pathology detection on the RSNA dataset. Results indicate that WASUP not only achieves competitive accuracy compared to state-of-the-art black-box models but also offers insightful explanations verified through theoretical analysis. Our findings underscore WASUP’s potential for applications where understanding model decisions is as critical as the decisions themselves.
The Mice Autism Detection via Ultrasound Vocalization (MADUV) Challenge introduces the first INTERSPEECH challenge focused on detecting autism spectrum disorder (ASD) in mice through their vocalizations. Participants are tasked with developing models to automatically classify mice as either wild-type or ASD models based on recordings with a high sampling rate. Our baseline system employs a simple CNN-based classification using three different spectrogram features. Results demonstrate the feasibility of automated ASD detection, with the considered audible-range features achieving the best performance (UAR of 0.600 for segment-level and 0.625 for subject-level classification). This challenge bridges speech technology and biomedical research, offering opportunities to advance our understanding of ASD models through machine learning approaches. The findings suggest promising directions for vocalization analysis and highlight the potential value of audible and ultrasound vocalizations in ASD detection.
This thesis presents deep reinforcement learning approaches for complex resource allocation tasks, including discrete, continuous, and resource collection problems. It introduces novel neural architectures achieving state-of-the-art results in spatial resource allocation, multi-agent collection, and dynamic ambulance redeployment, including electric ambulances. For continuous tasks like portfolio optimization, it proposes efficient methods to handle allocation constraints, ensuring compliance during training and deployment. (Shortened).
Climate models play a critical role in understanding and projecting climate change. Due to their complexity, their horizontal resolution of about 40-100 km remains too coarse to resolve processes such as clouds and convection, which need to be approximated via parameterizations. These parameterizations are a major source of systematic errors and large uncertainties in climate projections. Deep learning (DL)-based parameterizations, trained on data from computationally expensive short, high-resolution simulations, have shown great promise for improving climate models in that regard. However, their lack of interpretability and tendency to learn spurious non-physical correlations result in reduced trust in the climate simulation. We propose an efficient supervised learning framework for DL-based parameterizations that leads to physically consistent models with improved interpretability and negligible computational overhead compared to standard supervised training. First, key features determining the target physical processes are uncovered. Subsequently, the neural network is fine-tuned using only those relevant features. We show empirically that our method robustly identifies a small subset of the inputs as actual physical drivers, therefore removing spurious non-physical relationships. This results in by design physically consistent and interpretable neural networks while maintaining the predictive performance of unconstrained black-box DL-based parameterizations.
Birgit Kühbacher
Ethics in Systems Design and Machine Learning
Many systems occurring in real-world applications, such as controlling the motions of robots or modeling the spread of diseases, are switched impulsive systems. To ensure that the system state stays in a safe region (e.g., to avoid collisions with obstacles), barrier functions are widely utilized. As the system dimension increases, deriving suitable barrier functions becomes extremely complex. Fortunately, many systems consist of multiple subsystems, such as different areas where the disease occurs. In this work, we present sufficient conditions for interconnected switched impulsive systems to maintain safety by constructing local barrier functions for the individual subsystems instead of a global one, allowing for much easier and more efficient derivation. To validate our results, we numerically demonstrate its effectiveness using an epidemiological model.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Generalization of machine learning models can be severely compromised by data poisoning, where adversarial changes are applied to the training data. This vulnerability has led to interest in certifying (i.e., proving) that such changes up to a certain magnitude do not affect test predictions. We, for the first time, certify Graph Neural Networks (GNNs) against poisoning attacks, including backdoors, targeting the node features of a given graph. Our certificates are white-box and based upon (i) the neural tangent kernel, which characterizes the training dynamics of sufficiently wide networks; and (ii) a novel reformulation of the bilevel optimization describing poisoning as a mixed-integer linear program. We note that our framework is more general and constitutes the first approach to derive white-box poisoning certificates for NNs, which can be of independent interest beyond graph-related tasks.
Theoretical Foundations of Artificial Intelligence
Neural networks have been successfully applied in modeling partial differential equations, especially in dynamical systems. Commonly used models, such as neural operators, are performing well at deterministic prediction tasks, but lack a quantification of the uncertainty inherent in many complex systems, for example weather forecasting. In this paper, we explore a new approach that combines Fourier neural operators with generative modeling based on strictly proper scoring rules in order to create well-calibrated probabilistic predictions of dynamical systems. We demonstrate improved predictive uncertainty for our approach, especially in settings with very high inherent uncertainty.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
We study the problem of monitoring machine learning models under temporal distribution shifts, where circumstances change gradually over time, often leading to unnoticed yet significant declines in accuracy. We propose Incremental Uncertainty-aware Performance Monitoring (IUPM), a novel label-free method that estimates model performance by modeling time-dependent shifts using optimal transport. IUPM also quantifies uncertainty in performance estimates and introduces an active labeling strategy to reduce this uncertainty. We further showcase the benefits of IUPM on different datasets and simulated temporal shifts over existing baselines.
Neural differential equations offer a powerful approach for data-driven simulation. However, many applications in science and engineering possess known constraints that should be obeyed by the learned model. We introduce projected neural differential equations (PNDEs), a new method for constraining neural differential equations based on projection of the learned vector field to the tangent space of the constraint manifold. In tests on two challenging examples from power grid modeling, PNDEs outperform existing methods while requiring fewer hyperparameters. Our approach demonstrates significant potential for enhancing the modeling of constrained dynamical systems, particularly in complex domains like power grid dynamics where accuracy and reliability are essential.
We show that variational learning can significantly improve the accuracy and calibration of Low-Rank Adaptation (LoRA) without a substantial increase in the cost. We replace AdamW by the Improved Variational Online Newton (IVON) algorithm to finetune large language models. For Llama-2 with 7 billion parameters, IVON improves the accuracy over AdamW by 2.8% and expected calibration error by 4.6%. The accuracy is also better than the other Bayesian alternatives, yet the cost is lower and the implementation is easier. Our work provides additional evidence for the effectiveness of IVON for large language models.
Scientific hypotheses typically concern specific aspects of complex, imperfectly understood or entirely unknown mechanisms, such as the effect of gene expression levels on phenotypes or how microbial communities influence environmental health. Such queries are inherently causal (rather than purely associational), but in many settings, experiments can not be conducted directly on the target variables of interest, but are indirect. Therefore, they perturb the target variable, but do not remove potential confounding factors. If, additionally, the resulting experimental measurements are multi-dimensional and the studied mechanisms nonlinear, the query of interest is generally not identified. We develop an adaptive strategy to design indirect experiments that optimally inform a targeted query about the ground truth mechanism in terms of sequentially narrowing the gap between an upper and lower bound on the query. While the general formulation consists of a bi-level optimization procedure, we derive an efficiently estimable analytical kernel-based estimator of the bounds for the causal effect, a query of key interest, and demonstrate the efficacy of our approach in confounded, multivariate, nonlinear synthetic settings.
The Neural Tangent Kernel (NTK) viewpoint is widely employed to analyze the training dynamics of overparameterized Physics-Informed Neural Networks (PINNs). However, unlike the case of linear Partial Differential Equations (PDEs), we show how the NTK perspective falls short in the nonlinear scenario. Specifically, we establish that the NTK yields a random matrix at initialization that is not constant during training, contrary to conventional belief. Another significant difference from the linear regime is that, even in the idealistic infinite-width limit, the Hessian does not vanish and hence it cannot be disregarded during training. This motivates the adoption of second-order optimization methods. We explore the convergence guarantees of such methods in both linear and nonlinear cases, addressing challenges such as spectral bias and slow convergence. Every theoretical result is supported by numerical examples with both linear and nonlinear PDEs, and we highlight the benefits of second-order methods in benchmark test cases.
Neural network sparsification is a promising avenue to save computational time and memory costs, especially in an age where many successful AI models are becoming too large to naïvely deploy on consumer hardware. While much work has focused on different weight pruning criteria, the overall sparsifiability of the network, i.e., its capacity to be pruned without quality loss, has often been overlooked. We present Sparsifiability via the Marginal likelihood (SpaM), a pruning framework that highlights the effectiveness of using the Bayesian marginal likelihood in conjunction with sparsity-inducing priors for making neural networks more sparsifiable. Our approach implements an automatic Occam’s razor that selects the most sparsifiable model that still explains the data well, both for structured and unstructured sparsification. In addition, we demonstrate that the pre-computed posterior Hessian approximation used in the Laplace approximation can be re-used to define a cheap pruning criterion, which outperforms many existing (more expensive) approaches. We demonstrate the effectiveness of our framework, especially at high sparsity levels, across a range of different neural network architectures and datasets.
Text-to-Image (T2I) models have made significant advancements in recent years, but they still struggle to accurately capture intricate details specified in complex compositional prompts. While fine-tuning T2I models with reward objectives has shown promise, it suffers from ‘reward hacking’ and may not generalize well to unseen prompt distributions. In this work, we propose Reward-based Noise Optimization (ReNO), a novel approach that enhances T2I models at inference by optimizing the initial noise based on the signal from one or multiple human preference reward models. Remarkably, solving this optimization problem with gradient ascent for 50 iterations yields impressive results on four different one-step models across two competitive benchmarks, T2I-CompBench and GenEval. Within a computational budget of 20-50 seconds, ReNO-enhanced one-step models consistently surpass the performance of all current open-source Text-to-Image models. Extensive user studies demonstrate that our model is preferred nearly twice as often compared to the popular SDXL model and is on par with the proprietary Stable Diffusion 3 with 8B parameters. Moreover, given the same computational resources, a ReNO-optimized one-step model outperforms widely-used open-source models such as SDXL and PixArt-α, highlighting the efficiency and effectiveness of ReNO in enhancing T2I model performance at inference time.
Interpretable and Reliable Machine Learning
Uncertainty quantification (UQ) is a crucial but challenging task in many high-dimensional regression or learning problems to increase the confidence of a given predictor. We develop a new data-driven approach for UQ in regression that applies both to classical regression approaches such as the LASSO as well as to neural networks. One of the most notable UQ techniques is the debiased LASSO, which modifies the LASSO to allow for the construction of asymptotic confidence intervals by decomposing the estimation error into a Gaussian and an asymptotically vanishing bias component. However, in real-world problems with finite-dimensional data, the bias term is often too significant to be neglected, resulting in overly narrow confidence intervals. Our work rigorously addresses this issue and derives a data-driven adjustment that corrects the confidence intervals for a large class of predictors by estimating the means and variances of the bias terms from training data, exploiting high-dimensional concentration phenomena. This gives rise to non-asymptotic confidence intervals, which can help avoid overestimating uncertainty in critical applications such as MRI diagnosis. Importantly, our analysis extends beyond sparse regression to data-driven predictors like neural networks, enhancing the reliability of model-based deep learning. Our findings bridge the gap between established theory and the practical applicability of such debiased methods.
Mathematical Data Science and Artificial Intelligence
Credal sets are sets of probability distributions that are considered as candidates for an imprecisely known ground-truth distribution. In machine learning, they have recently attracted attention as an appealing formalism for uncertainty representation, in particular due to their ability to represent both the aleatoric and epistemic uncertainty in a prediction. However, the design of methods for learning credal set predictors remains a challenging problem. In this paper, we make use of conformal prediction for this purpose. More specifically, we propose a method for predicting credal sets in the classification task, given training data labeled by probability distributions. Since our method inherits the coverage guarantees of conformal prediction, our conformal credal sets are guaranteed to be valid with high probability (without any assumptions on model or distribution). We demonstrate the applicability of our method to natural language inference, a highly ambiguous natural language task where it is common to obtain multiple annotations per example.
Artificial Intelligence and Machine Learning
The need for large text corpora has increased with the advent of pretrained language models and, in particular, the discovery of scaling laws for these models. Most available corpora have sufficient data only for languages with large dominant communities. However, there is no corpus available that (i) covers a wide range of minority languages; (ii) is generated by an open-source reproducible pipeline; and (iii) is rigorously cleaned from noise, making it trustworthy to use. We present GlotCC, a clean, document-level, 2TB general domain corpus derived from CommonCrawl, covering more than 1000 languages. We make GlotCC and the system used to generate it - including the pipeline, language identification model, and filters - available to the research community.
Computational Linguistics
We introduce the Autoregressive PDE Emulator Benchmark (APEBench), a comprehensive benchmark suite to evaluate autoregressive neural emulators for solving partial differential equations. APEBench is based on JAX and provides a seamlessly integrated differentiable simulation framework employing efficient pseudo-spectral methods, enabling 46 distinct PDEs across 1D, 2D, and 3D. Facilitating systematic analysis and comparison of learned emulators, we propose a novel taxonomy for unrolled training and introduce a unique identifier for PDE dynamics that directly relates to the stability criteria of classical numerical methods. APEBench enables the evaluation of diverse neural architectures, and unlike existing benchmarks, its tight integration of the solver enables support for differentiable physics training and neural-hybrid emulators. Moreover, APEBench emphasizes rollout metrics to understand temporal generalization, providing insights into the long-term behavior of emulating PDE dynamics. In several experiments, we highlight the similarities between neural emulators and numerical simulators.
Hierarchical clustering has usually been addressed by discrete optimization using heuristics or continuous optimization of relaxed scores for hierarchies. In this work, we propose to optimize expected scores under a probabilistic model over hierarchies. (1) We show theoretically that the global optimal values of the expected Dasgupta cost and Tree-Sampling divergence (TSD), two unsupervised metrics for hierarchical clustering, are equal to the optimal values of their discrete counterparts contrary to some relaxed scores. (2) We propose Expected Probabilistic Hierarchies (EPH), a probabilistic model to learn hierarchies in data by optimizing expected scores. EPH uses differentiable hierarchy sampling enabling end-to-end gradient descent based optimization, and an unbiased subgraph sampling approach to scale to large datasets. (3) We evaluate EPH on synthetic and real-world datasets including vector and graph datasets. EPH outperforms all other approaches quantitatively and provides meaningful hierarchies in qualitative evaluations.
Data Analytics & Machine Learning
In many applications, we desire neural networks to exhibit invariance or equivariance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames. In this work, we introduce a canonicalization perspective that provides an essential and complete view of the design of frames. Canonicalization is a classic approach for attaining invariance by mapping inputs to their canonical forms. We show that there exists an inherent connection between frames and canonical forms. Leveraging this connection, we can efficiently compare the complexity of frames as well as determine the optimality of certain frames. Guided by this principle, we design novel frames for eigenvectors that are strictly superior to existing methods – some are even optimal – both theoretically and empirically. The reduction to the canonicalization perspective further uncovers equivalences between previous methods. These observations suggest that canonicalization provides a fundamental understanding of existing frame-averaging methods and unifies existing equivariant and invariant learning methods.
Predicting potential outcomes of interventions from observational data is crucial for decision-making in medicine, but the task is challenging due to the fundamental problem of causal inference. Existing methods are largely limited to point estimates of potential outcomes with no uncertain quantification; thus, the full information about the distributions of potential outcomes is typically ignored. In this paper, we propose a novel causal diffusion model called DiffPO, which is carefully designed for reliable inferences in medicine by learning the distribution of potential outcomes. In our DiffPO, we leverage a tailored conditional denoising diffusion model to learn complex distributions, where we address the selection bias through a novel orthogonal diffusion loss. Another strength of our DiffPO method is that it is highly flexible (e.g., it can also be used to estimate different causal quantities such as CATE). Across a wide range of experiments, we show that our method achieves state-of-the-art performance.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Estimating causal quantities from observational data is crucial for understanding the safety and effectiveness of medical treatments. However, to make reliable inferences, medical practitioners require not only estimating averaged causal quantities, such as the conditional average treatment effect, but also understanding the randomness of the treatment effect as a random variable. This randomness is referred to as aleatoric uncertainty and is necessary for understanding the probability of benefit from treatment or quantiles of the treatment effect. Yet, the aleatoric uncertainty of the treatment effect has received surprisingly little attention in the causal machine learning community. To fill this gap, we aim to quantify the aleatoric uncertainty of the treatment effect at the individualized (covariate-conditional) level, namely, the conditional distribution of the treatment effect (CDTE). Unlike average causal quantities, the CDTE is not point identifiable without strong additional assumptions. As a remedy, we employ partial identification to obtain sharp bounds on the CDTE and thereby quantify the aleatoric uncertainty of the treatment effect. We then develop a novel, orthogonal learner for the bounds on the CDTE, which we call AU-learner. We further show that our AU-learner has several strengths in that it satisfies Neyman-orthogonality and is doubly robust. Finally, we propose a fully-parametric deep learning instantiation of our AU-learner.
Artificial Intelligence in Management
Artificial Intelligence in Management
Originally rooted in game theory, the Shapley Value (SV) has recently become an important tool in machine learning research. Perhaps most notably, it is used for feature attribution and data valuation in explainable artificial intelligence. Shapley Interactions (SIs) naturally extend the SV and address its limitations by assigning joint contributions to groups of entities, which enhance understanding of black box machine learning models. Due to the exponential complexity of computing SVs and SIs, various methods have been proposed that exploit structural assumptions or yield probabilistic estimates given limited resources. In this work, we introduce shapiq, an open-source Python package that unifies state-of-the-art algorithms to efficiently compute SVs and any-order SIs in an application-agnostic framework. Moreover, it includes a benchmarking suite containing 11 machine learning applications of SIs with pre-computed games and ground-truth values to systematically assess computational performance across domains. For practitioners, shapiq is able to explain and visualize any-order feature interactions in predictions of models, including vision transformers, language models, as well as XGBoost and LightGBM with TreeSHAP-IQ. With shapiq, we extend shap beyond feature attributions and consolidate the application of SVs and SIs in machine learning that facilitates future research.
Artificial Intelligence and Machine Learning
Artificial Intelligence and Machine Learning
Hyperparameter optimization is crucial for obtaining peak performance of machine learning models. The standard protocol evaluates various hyperparameter configurations using a resampling estimate of the generalization error to guide optimization and select a final hyperparameter configuration. Without much evidence, paired resampling splits, i.e., either a fixed train-validation split or a fixed cross-validation scheme, are often recommended. We show that, surprisingly, reshuffling the splits for every configuration often improves the final model’s generalization performance on unseen data. Our theoretical analysis explains how reshuffling affects the asymptotic behavior of the validation loss surface and provides a bound on the expected regret in the limiting regime. This bound connects the potential benefits of reshuffling to the signal and noise characteristics of the underlying optimization problem. We confirm our theoretical results in a controlled simulation study and demonstrate the practical usefulness of reshuffling in a large-scale, realistic hyperparameter optimization experiment. While reshuffling leads to test performances that are competitive with using fixed splits, it drastically improves results for a single train-validation holdout protocol and can often make holdout become competitive with standard CV while being computationally cheaper.
Computational Statistics & Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
We introduce r-loopy Weisfeiler-Leman (r-ℓWL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, r-ℓMPNN, that can count cycles up to length r+2. Most notably, we show that r-ℓWL can count homomorphisms of cactus graphs. This strictly extends classical 1-WL, which can only count homomorphisms of trees and, in fact, is incomparable to k-WL for any fixed k. We empirically validate the expressive and counting power of the proposed r-ℓMPNN on several synthetic datasets and present state-of-the-art predictive performance on various real-world datasets.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
Semi-structured networks (SSNs) merge the structures familiar from additive models with deep neural networks, allowing the modeling of interpretable partial feature effects while capturing higher-order non-linearities at the same time. A significant challenge in this integration is maintaining the interpretability of the additive model component. Inspired by large-scale biomechanics datasets, this paper explores extending SSNs to functional data. Existing methods in functional data analysis are promising but often not expressive enough to account for all interactions and non-linearities and do not scale well to large datasets. Although the SSN approach presents a compelling potential solution, its adaptation to functional data remains complex. In this work, we propose a functional SSN method that retains the advantageous properties of classical functional regression approaches while also improving scalability. Our numerical experiments demonstrate that this approach accurately recovers underlying signals, enhances predictive performance, and performs favorably compared to competing methods.
Statistics, Data Science and Machine Learning
Continuous action spaces in reinforcement learning (RL) are commonly defined as multidimensional intervals. While intervals usually reflect the action boundaries for tasks well, they can be challenging for learning because the typically large global action space leads to frequent exploration of irrelevant actions. Yet, little task knowledge can be sufficient to identify significantly smaller state-specific sets of relevant actions. Focusing learning on these relevant actions can significantly improve training efficiency and effectiveness. In this paper, we propose to focus learning on the set of relevant actions and introduce three continuous action masking methods for exactly mapping the action space to the state-dependent set of relevant actions. Thus, our methods ensure that only relevant actions are executed, enhancing the predictability of the RL agent and enabling its use in safety-critical applications. We further derive the implications of the proposed methods on the policy gradient. Using proximal policy optimization (PPO), we evaluate our methods on four control tasks, where the relevant action set is computed based on the system dynamics and a relevant state set. Our experiments show that the three action masking methods achieve higher final rewards and converge faster than the baseline without action masking.
Multimodal foundation models serve numerous applications at the intersection of vision and language. Still, despite being pretrained on extensive data, they become outdated over time. To keep models updated, research into continual pretraining mainly explores scenarios with either (1) infrequent, indiscriminate updates on large-scale new data, or (2) frequent, sample-level updates. However, practical model deployment often operates in the gap between these two limit cases, as real-world applications often demand adaptation to specific subdomains, tasks or concepts – spread over the entire, varying life cycle of a model. In this work, we complement current perspectives on continual pretraining through a research test bed as well as provide comprehensive guidance for effective continual model updates in such scenarios. We first introduce FoMo-in-Flux, a continual multimodal pretraining benchmark with realistic compute constraints and practical deployment requirements, constructed over 63 datasets with diverse visual and semantic coverage. Using FoMo-in-Flux, we explore the complex landscape of practical continual pretraining through multiple perspectives: (1) A data-centric investigation of data mixtures and stream orderings that emulate real-world deployment situations, (2) a method-centric investigation ranging from simple fine-tuning and traditional continual learning strategies to parameter-efficient updates and model merging, (3) meta learning rate schedules and mechanistic design choices, and (4) the influence of model and compute scaling. Together, our insights provide a practitioner’s guide to continual multimodal pretraining for real-world deployment.
Controllable text-to-image (T2I) diffusion models have shown impressive performance in generating high-quality visual content through the incorporation of various conditions. Current methods, however, exhibit limited performance when guided by skeleton human poses, especially in complex pose conditions such as side or rear perspectives of human figures. To address this issue, we present Stable-Pose, a novel adapter model that introduces a coarse-to-fine attention masking strategy into a vision Transformer (ViT) to gain accurate pose guidance for T2I models. Stable-Pose is designed to adeptly handle pose conditions within pre-trained Stable Diffusion, providing a refined and efficient way of aligning pose representation during image synthesis. We leverage the query-key self-attention mechanism of ViTs to explore the interconnections among different anatomical parts in human pose skeletons. Masked pose images are used to smoothly refine the attention maps based on target pose-related features in a hierarchical manner, transitioning from coarse to fine levels. Additionally, our loss function is formulated to allocate increased emphasis to the pose region, thereby augmenting the model’s precision in capturing intricate pose details. We assessed the performance of Stable-Pose across five public datasets under a wide range of indoor and outdoor human pose scenarios. Stable-Pose achieved an AP score of 57.1 in the LAION-Human dataset, marking around 13% improvement over the established technique ControlNet.
Artificial Intelligence in Medical Imaging
Contrastive learning has been a leading paradigm for self-supervised learning, but it is widely observed that it comes at the price of sacrificing useful features (eg colors) by being invariant to data augmentations. Given this limitation, there has been a surge of interest in equivariant self-supervised learning (E-SSL) that learns features to be augmentation-aware. However, even for the simplest rotation prediction method, there is a lack of rigorous understanding of why, when, and how E-SSL learns useful features for downstream tasks. To bridge this gap between practice and theory, we establish an information-theoretic perspective to understand the generalization ability of E-SSL. In particular, we identify a critical explaining-away effect in E-SSL that creates a synergy between the equivariant and classification tasks. This synergy effect encourages models to extract class-relevant features to improve its equivariant prediction, which, in turn, benefits downstream tasks requiring semantic features. Based on this perspective, we theoretically analyze the influence of data transformations and reveal several principles for practical designs of E-SSL. Our theory not only aligns well with existing E-SSL methods but also sheds light on new directions by exploring the benefits of model equivariance. We believe that a theoretically grounded understanding on the role of equivariance would inspire more principled and advanced designs in this field.
Going beyond mimicking limited human experiences, recent studies show initial evidence that, like humans, large language models (LLMs) are capable of improving their abilities purely by self-correction, i.e., correcting previous responses through self-examination, in certain circumstances. Nevertheless, little is known about how such capabilities arise. In this work, based on a simplified setup akin to an alignment task, we theoretically analyze self-correction from an in-context learning perspective, showing that when LLMs give relatively accurate self-examinations as rewards, they are capable of refining responses in an in-context way. Notably, going beyond previous theories on over-simplified linear transformers, our theoretical construction underpins the roles of several key designs of realistic transformers for self-correction: softmax attention, multi-head attention, and the MLP block. We validate these findings extensively on synthetic datasets. Inspired by these findings, we also illustrate novel applications of self-correction, such as defending against LLM jailbreaks, where a simple self-correction step does make a large difference. We believe that these findings will inspire further research on understanding, exploiting, and enhancing self-correction for building better foundation models.
Allocation tasks represent a class of problems where a limited amount of resources must be allocated to a set of entities at each time step. Prominent examples of this task include portfolio optimization or distributing computational workloads across servers. Allocation tasks are typically bound by linear constraints describing practical requirements that have to be strictly fulfilled at all times. In portfolio optimization, for example, investors may be obligated to allocate less than 30% of the funds into a certain industrial sector in any investment period. Such constraints restrict the action space of allowed allocations in intricate ways, which makes learning a policy that avoids constraint violations difficult. In this paper, we propose a new method for constrained allocation tasks based on an autoregressive process to sequentially sample allocations for each entity. In addition, we introduce a novel de-biasing mechanism to counter the initial bias caused by sequential sampling. We demonstrate the superior performance of our approach compared to a variety of Constrained Reinforcement Learning (CRL) methods on three distinct constrained allocation tasks: portfolio optimization, computational workload distribution, and a synthetic allocation benchmark.
Spatial Artificial Intelligence
In this work we design graph neural network architectures that capture optimal approximation algorithms for a large class of combinatorial optimization problems, using powerful algorithmic tools from semidefinite programming (SDP). Concretely, we prove that polynomial-sized message-passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high-quality approximate solutions on landmark combinatorial optimization problems such as Max-Cut, Min-Vertex-Cover, and Max-3-SAT. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against solvers and neural baselines. Finally, we take advantage of OptGNN’s ability to capture convex relaxations to design an algorithm for producing bounds on the optimal solution from the learned embeddings of OptGNN.
Overparametrized transformer networks are the state-of-the-art architecture for Large Language Models (LLMs). However, such models contain billions of parameters making large compute a necessity, while raising environmental concerns. To address these issues, we propose FinerCut, a new form of fine-grained layer pruning, which in contrast to prior work at the transformer block level, considers all self-attention and feed-forward network (FFN) layers within blocks as individual pruning candidates. FinerCut prunes layers whose removal causes minimal alternation to the model’s output – contributing to a new, lean, interpretable, and task-agnostic pruning method. Tested across 9 benchmarks, our approach retains 90% performance of Llama3-8B with 25% layers removed, and 95% performance of Llama3-70B with 30% layers removed, all without fine-tuning or post-pruning reconstruction. Strikingly, we observe intriguing results with FinerCut: 42% (34 out of 80) of the self-attention layers in Llama3-70B can be removed while preserving 99% of its performance – without additional fine-tuning after removal. Moreover, FinerCut provides a tool to inspect the types and locations of pruned layers, allowing to observe interesting pruning behaviors. For instance, we observe a preference for pruning self-attention layers, often at deeper consecutive decoder layers. We hope our insights inspire future efficient LLM architecture designs.
Statistical Learning and Data Science
AI and Computational Linguistics
Statistical Learning and Data Science
Statistical Learning and Data Science
Prior-data fitted networks (PFNs), especially TabPFN, have shown significant promise in tabular data prediction. However, their scalability is limited by the quadratic complexity of the transformer architecture’s attention across training points. In this work, we propose a method to localize TabPFN, which embeds data points into a learned representation and performs nearest neighbor selection in this space. We evaluate it across six datasets, demonstrating its superior performance over standard TabPFN when scaling to larger datasets. We also explore its design choices and analyze the bias-variance trade-off of this localization method, showing that it reduces bias while maintaining manageable variance. This work opens up a pathway for scaling TabPFN to arbitrarily large tabular datasets.
Computational Statistics & Data Science
Statistical Learning and Data Science
The phenomenon of different deep learning models producing similar data representations has garnered significant attention, raising the question of why such representational similarity occurs. Identifiability theory offers a partial explanation: for a broad class of discriminative models, including many popular in representation learning, those assigning equal likelihood to the observations yield representations that are equal up to a linear transformation, if a suitable diversity condition holds. In this work, we identify two key challenges in applying identifiability theory to explain representational similarity. First, the assumption of exact likelihood equality is rarely satisfied by practical models trained with different initializations. To address this, we describe how the representations of two models deviate from being linear transformations of each other, based on their difference in log-likelihoods. Second, we demonstrate that even models with similar and near-optimal loss values can produce highly dissimilar representations due to an underappreciated difference between loss and likelihood. Our findings highlight key open questions and point to future research directions for advancing the theoretical understanding of representational similarity.
Algorithmic Machine Learning & Explainable AI
There are 20-50 new volcanic eruptions annually, which often do not have onsite monitoring. InSAR can be used to globally monitor volcanic deformations, even in hard-to-reach areas. With state-of-the-art persistent and distributed scatterer processing, InSAR data can even point to the volcanoes’ subtle, few mm/year changes and deep learning (DL) models can red flag them. Our research leverages the practical application of DL with a classification architecture, InceptionResNet v2, to identify InSAR data containing volcanic deformations. We utilize 5-year-long deformation maps covering the Central Volcanic Zone in the South American Andes, reserving the area known for its volcanoes for testing. The remaining data, in combination with synthetic volcanic deformations, is used for training. The explainability tool, Grad-CAM, shows that due to the nature of subtle volcanic deformations observed by InSAR, the model is struggling to delineate and distinguish volcanic deformation signals. We use wavelet transformations and filtering to enhance the data and improve the DL model performance. Daubechies 2 wavelet transform accentuates subtle large-surface signals, which are often volcanic in nature while removing the subtle high-frequency patterns. The DL models are trained, and each is tested on the data with a different number of wavelet transforms from 0-4. The model trained and tested on original data achieved a 64.02% AUC ROC average over 3 runs, while when tested on data two times transformed by wavelet transform, it improved to 84.14% AUC ROC average over 3 runs. These findings prove that Daubechies 2 wavelet transform cleans data while exaggerating the volcanic deformation. It also enlarges the small point deformation sources large in intensity, which can be solved by filtering beforehand. The models trained and used in this way detect all 5 different subtle volcanic deformations in the region, with smallest being 5 mm/year.
Finding meaningful groups, i.e., clusters, in high-dimensional data such as images or texts without labeled data at hand is an important challenge in data mining. In recent years, deep clustering methods have achieved remarkable results in these tasks. However, most of these methods require the user to specify the number of clusters in advance. This is a major limitation since the number of clusters is typically unknown if labeled data is unavailable. Thus, an area of research has emerged that addresses this problem. Most of these approaches estimate the number of clusters separated from the clustering process. This results in a strong dependency of the clustering result on the quality of the initial embedding. Other approaches are tailored to specific clustering processes, making them hard to adapt to other scenarios. In this paper, we propose UNSEEN, a general framework that, starting from a given upper bound, is able to estimate the number of clusters. To the best of our knowledge, it is the first method that can be easily combined with various deep clustering algorithms. We demonstrate the applicability of our approach by combining UNSEEN with the popular deep clustering algorithms DCN, DEC, and DKM and verify its effectiveness through an extensive experimental evaluation on several image and tabular datasets. Moreover, we perform numerous ablations to analyze our approach and show the importance of its components.
In this dissertation, we present solutions to various image recognition problems in remote sensing. Thereby, we harness the characteristics of remote sensing images and address specific challenges coming with remote sensing images. Overall, the methods presented in this dissertation cover the tasks of image classification, object detection, semantic segmentation, and change detection, as well as learning settings with full, incomplete, and noisy supervision. (Shortened).
Spatial Artificial Intelligence
Works in perspectivism and human label variation have emphasized the need to collect and leverage various voices and points of view in the whole Natural Language Processing pipeline. PERSEID places itself in this line of work. We consider the task of irony detection from short social media conversations in Italian collected from Twitter (X) and Reddit. To do so, we leverage data from MultiPICO, a recent multilingual dataset with disaggregated annotations and annotators’ metadata, containing 1000 Post, Reply pairs with five annotations each on average. We aim to evaluate whether prompting LLMs with additional annotators’ demographic information (namely gender only, age only, and the combination of the two) results in improved performance compared to a baseline in which only the input text is provided. The evaluation is zero-shot; and we evaluate the results on the disaggregated annotations using f1.
AI and Computational Linguistics
Complex linguistic phenomena such as stereotypes or irony are still challenging to detect, particularly due to the lower availability of annotated data. In this paper, we explore Back-Translation (BT) as a data augmentation method to enhance such datasets by artificially introducing semantics-preserving variations. We investigate French and Italian as source languages on two multilingual datasets annotated for the presence of stereotypes or irony and evaluate French/Italian, English, and Arabic as pivot languages for the BT process. We also investigate cross-translation, i.e., augmenting one language subset of a multilingual dataset with translated instances from the other languages. We conduct an intrinsic evaluation of the quality of back-translated instances, identifying linguistic or translation model-specific errors that may occur with BT. We also perform an extrinsic evaluation of different data augmentation configurations to train a multilingual Transformer-based classifier for stereotype or irony detection on mono-lingual data.
AI and Computational Linguistics
Gender-fair language aims at promoting gender equality by using terms and expressions that include all identities and avoid reinforcing gender stereotypes. Implementing gender-fair strategies is particularly challenging in heavily gender-marked languages, such as Italian. To address this, the Gender-Fair Generation challenge intends to help shift toward gender-fair language in written communication. The challenge, designed to assess and monitor the recognition and generation of gender-fair language in both mono- and cross-lingual scenarios, includes three tasks: (1) the detection of gendered expressions in Italian sentences, (2) the reformulation of gendered expressions into gender-fair alternatives, and (3) the generation of gender-fair language in automatic translation from English to Italian. The challenge relies on three different annotated datasets: the GFL-it corpus, which contains Italian texts extracted from administrative documents provided by the University of Brescia; GeNTE, a bilingual test set for gender-neutral rewriting and translation built upon a subset of the Europarl dataset; and Neo-GATE, a bilingual test set designed to assess the use of non-binary neomorphemes in Italian for both fair formulation and translation tasks. Finally, each task is evaluated with specific metrics: average of F1-score obtained by means of BERTScore computed on each entry of the datasets for task 1, an accuracy measured with a gender-neutral classifier, and a coverage-weighted accuracy for tasks 2 and 3.
AI and Computational Linguistics
The recent introduction of foundation models (FMs) has taken the world by storm. Ranging from large language models (LLMs) to image and audio analysis and generation, FMs have introduced a new paradigm in artificial intelligence (AI), one where practitioners transition from standard supervised machine learning to prompting and in-context learning. This has implications for hearing aid research, and specifically for the use of such models for noise attenuation and speech enhancement. Even though the uptake of FMs is minimal to non-existent for this application domain, mainly due to the prohibitive computational complexity of those models, there are nevertheless ways to benefit from FM advances in an indirect way. We review these approaches in the present contribution.
AI-driven decision-making systems are becoming instrumental in the public sector, with applications spanning areas like criminal justice, social welfare, financial fraud detection, and public health. While these systems offer great potential benefits to institutional decision-making processes, such as improved efficiency and reliability, these systems face the challenge of aligning machine learning (ML) models with the complex realities of public sector decision-making. In this paper, we examine five key challenges where misalignment can occur, including distribution shifts, label bias, the influence of past decision-making on the data side, as well as competing objectives and human-in-the-loop on the model output side. Our findings suggest that standard ML methods often rely on assumptions that do not fully account for these complexities, potentially leading to unreliable and harmful predictions. To address this, we propose a shift in modeling efforts from focusing solely on predictive accuracy to improving decision-making outcomes. We offer guidance for selecting appropriate modeling frameworks, including counterfactual prediction and policy learning, by considering how the model estimand connects to the decision-maker’s utility. Additionally, we outline technical methods that address specific challenges within each modeling approach. Finally, we argue for the importance of external input from domain experts and stakeholders to ensure that model assumptions and design choices align with real-world policy objectives, taking a step towards harmonizing AI and public sector objectives.
Social Data Science and AI
Recent trends in Video Instance Segmentation (VIS) have seen a growing reliance on online methods to model complex and lengthy video sequences. However, the degradation of representation and noise accumulation of the online methods, especially during occlusion and abrupt changes, pose substantial challenges. Transformer-based query propagation provides promising directions at the cost of quadratic memory attention. However, they are susceptible to the degradation of instance features due to the above-mentioned challenges and suffer from cascading effects. The detection and rectification of such errors remain largely underexplored. To this end, we introduce textbf{GRAtt-VIS}, textbf{G}ated textbf{R}esidual textbf{Att}ention for textbf{V}ideo textbf{I}nstance textbf{S}egmentation. Firstly, we leverage a Gumbel-Softmax-based gate to detect possible errors in the current frame. Next, based on the gate activation, we rectify degraded features from its past representation. Such a residual configuration alleviates the need for dedicated memory and provides a continuous stream of relevant instance features. Secondly, we propose a novel inter-instance interaction using gate activation as a mask for self-attention. This masking strategy dynamically restricts the unrepresentative instance queries in the self-attention and preserves vital information for long-term tracking. We refer to this novel combination of Gated Residual Connection and Masked Self-Attention as textbf{GRAtt} block, which can easily be integrated into the existing propagation-based framework. Further, GRAtt blocks significantly reduce the attention overhead and simplify dynamic temporal modeling. GRAtt-VIS achieves state-of-the-art performance on YouTube-VIS and the highly challenging OVIS dataset, significantly improving over previous methods.
Spatial Artificial Intelligence
This article discusses a formalization of aspects of Cyber-Sovereignty (CyS) for information and communication technology (ICT), linking them to technological trustworthiness and deriving an associated paradigm for hard- and software design. The upcoming 6G ICT standard is considered a keystone within modern society’s increasing interconnectedness and automatization, as it provides the necessary technological infrastructure for applications such as the Metaverse or large-scale digital twinning. Since emerging technological systems increasingly affect sensitive human goods, hard- and software manufacturers must consider a new dimension of societal and judicial constraints in the context of technological trustworthiness. This article aims to establish a formalized theory of specific aspects of CyS, providing a paradigm for hard- and software engineering in ICT. This paradigm is directly applicable in formal technology assessment and ensures that the relevant facets of CyS – specifically, the principle of Algorithmic Transparency (AgT) – are satisfied. The framework follows an axiomatic approach. Particularly, the formal basis of our theory consists of four fundamental assumptions about the general nature of physical problems and algorithmic implementations. This formal basis allows for drawing general conclusions on the relation between CyS and technological trustworthiness and entails a formal meta-thesis on AgT in digital computing.
Mathematical Foundations of Artificial Intelligence
In recent years, black-box machine learning approaches have become a dominant modeling paradigm for knowledge extraction in remote sensing. Despite the potential benefits of uncovering the inner workings of these models with explainable AI, a comprehensive overview summarizing the explainable AI methods used and their objectives, findings, and challenges in remote sensing applications is still missing. In this paper, we address this gap by performing a systematic review to identify the key trends in the field and shed light on novel explainable AI approaches and emerging directions that tackle specific remote sensing challenges. We also reveal the common patterns of explanation interpretation, discuss the extracted scientific insights, and reflect on the approaches used for the evaluation of explainable AI methods. As such, our review provides a complete summary of the state-of-the-art of explainable AI in remote sensing. Further, we give a detailed outlook on the challenges and promising research directions, representing a basis for novel methodological development and a useful starting point for new researchers in the field.
Earth Observation (EO) data analysis has been significantly revolutionized by deep learning (DL), with applications typically limited to grid-like data structures. Graph Neural Networks (GNNs) emerge as an important innovation, propelling DL into the non-Euclidean domain. Naturally, GNNs can effectively tackle the challenges posed by diverse modalities, multiple sensors, and the heterogeneous nature of EO data. To introduce GNNs in the related domains, our review begins by offering fundamental knowledge on GNNs. Then, we summarize the generic problems in EO, to which GNNs can offer potential solutions. Following this, we explore a broad spectrum of GNNs’ applications to scientific problems in Earth systems, covering areas such as weather and climate analysis, disaster management, air quality monitoring, agriculture, land cover classification, hydrological process modeling, and urban modeling. The rationale behind adopting GNNs in these fields is explained, alongside methodologies for organizing graphs and designing favorable architectures for various tasks. Furthermore, we highlight methodological challenges of implementing GNNs in these domains and possible solutions that could guide future research. While acknowledging that GNNs are not a universal solution, we conclude the paper by comparing them with other popular architectures like transformers and analyzing their potential synergies.
This article presents a method to improve the usability of lake ice cover (LIC) maps generated from moderate resolution imaging spectroradiometer (MODIS) top-of-atmosphere reflectance data by providing estimates of aleatoric and epistemic uncertainty. We used a random forest (RF) classifier, which has been shown to have superior performance in classifying lake ice, open water, and clouds, to generate daily LIC maps with inherent (aleatoric) and model (epistemic) uncertainties. RF allows for the learning of different hypotheses (trees), producing diverse predictions that can be utilized to quantify aleatoric and epistemic uncertainty. We use a decomposition of Shannon entropy to quantify these uncertainties and apply pixel-based uncertainty estimation. Our results show that using uncertainty values to reject the classification of uncertain pixels significantly improves recall and precision. The method presented herein is under consideration for integration into the processing chain implemented for the production of daily LIC maps as part of the European Space Agency’s Climate Change Initiative (CCI+) Lakes project.
Artificial Intelligence and Machine Learning
Audio-based kinship verification (AKV) is important in many domains, such as home security monitoring, forensic identification, and social network analysis. A key challenge in the task arises from differences in age across samples from different individuals, which can be interpreted as a domain bias in a cross-domain verification task. To address this issue, we design the notion of an ‘age-standardised domain’ wherein we utilise the optimised CycleGAN-VC3 network to perform age-audio conversion to generate the in-domain audio. The generated audio dataset is employed to extract a range of features, which are then fed into a metric learning architecture to verify kinship. Experiments are conducted on the KAN_AV audio dataset, which contains age and kinship labels. The results demonstrate that the method markedly enhances the accuracy of kinship verification, while also offering novel insights for future kinship verification research.
Mental disorders show a rapid increase and cause considerable harm to individuals as well as the society in recent decade. Hence, mental disorders have become a serious public health challenge in nowadays society. Timely treatment of mental disorders plays a critical role for reducing the harm of mental illness to individuals and society. Music therapy is a type of non-pharmaceutical method in treating such mental disorders. However, conventional music therapy suffers from a number of issues resulting in a lack of popularity. Thanks to the rapid development of Artificial Intelligence (AI), especially the AI Generated Content (AIGC), it provides a chance to address these issues. Nevertheless, to the best of our knowledge, there is no work investigating music therapy from AIGC and closed-loop perspective. In this paper, we summarise some universal music therapy methods and discuss their shortages. Then, we indicate some AIGC techniques, especially the music generation, for their application in music therapy. Moreover, we present a closed-loop music therapy system and introduce its implementation details. Finally, we discuss some challenges in AIGC-based music therapy with proposing further research direction, and we suggest the potential of this system to become a consumer-grade product for treating mental disorders.
We present PolyGNN, a polyhedron-based graph neural network for 3D building reconstruction from point clouds. PolyGNN learns to assemble primitives obtained by polyhedral decomposition via graph node classification, achieving a watertight and compact reconstruction. To effectively represent arbitrary-shaped polyhedra in the neural network, we propose a skeleton-based sampling strategy to generate polyhedron-wise queries. These queries are then incorporated with inter-polyhedron adjacency to enhance the classification. PolyGNN is end-to-end optimizable and is designed to accommodate variable-size input points, polyhedra, and queries with an index-driven batching technique. To address the abstraction gap between existing city-building models and the underlying instances, and provide a fair evaluation of the proposed method, we develop our method on a large-scale synthetic dataset with well-defined ground truths of polyhedral labels. We further conduct a transferability analysis across cities and on real-world point clouds. Both qualitative and quantitative results demonstrate the effectiveness of our method, particularly its efficiency for large-scale reconstructions.
Global feature effect methods, such as partial dependence plots, provide an intelligible visualization of the expected marginal feature effect. However, such global feature effect methods can be misleading, as they do not represent local feature effects of single observations well when feature interactions are present. We formally introduce generalized additive decomposition of global effects (GADGET), which is a new framework based on recursive partitioning to find interpretable regions in the feature space such that the interaction-related heterogeneity of local feature effects is minimized. We provide a mathematical foundation of the framework and show that it is applicable to the most popular methods to visualize marginal feature effects, namely partial dependence, accumulated local effects, and Shapley additive explanations (SHAP) dependence. Furthermore, we introduce and validate a new permutation-based interaction detection procedure that is applicable to any feature effect method that fits into our proposed framework. We empirically evaluate the theoretical characteristics of the proposed methods based on various feature effect methods in different experimental settings. Moreover, we apply our introduced methodology to three real-world examples to showcase their usefulness.
Julia Herbinger
Dr.
* Former Member
Computational Statistics & Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Captions are a valuable scaffold for language learners, aiding comprehension and vocabulary acquisition. Past work has proposed enhancements such as keyword highlights for increased learning gains. However, little is known about learners’ experience with enhanced captions, although this is critical for adoption in everyday life. We conducted a survey and focus group to elicit learner preferences and requirements and implemented a processing pipeline for enhanced captions with keyword highlights, time-synchronized keyword highlights, and keyword captions. A subsequent online study (n = 66) showed that time-synchronized keyword highlights were the preferred design for learning but were perceived as too distracting to replace standard captions in everyday viewing scenarios. We conclude that keyword highlights and time-synchronization are suitable for integrating learning into an entertaining everyday- life activity, but the design should be optimized to provide a more seamless experience.
Targeted spatial transcriptomic methods capture the topology of cell types and states in tissues at single-cell and subcellular resolution by measuring the expression of a predefined set of genes. The selection of an optimal set of probed genes is crucial for capturing the spatial signals present in a tissue. This requires selecting the most informative, yet minimal, set of genes to profile (gene set selection) for which it is possible to build probes (probe design). However, current selections often rely on marker genes, precluding them from detecting continuous spatial signals or new states. We present Spapros, an end-to-end probe set selection pipeline that optimizes both gene set specificity for cell type identification and within-cell type expression variation to resolve spatially distinct populations while considering prior knowledge as well as probe design and expression constraints. We evaluated Spapros and show that it outperforms other selection approaches in both cell type recovery and recovering expression variation beyond cell types. Furthermore, we used Spapros to design a single-cell resolution in situ hybridization on tissues (SCRINSHOT) experiment of adult lung tissue to demonstrate how probes selected with Spapros identify cell types of interest and detect spatial variation even within cell types.
Artificial intelligence (AI) provides considerable opportunities to assist human work. However, one crucial challenge of human-AI collaboration is that many AI algorithms operate in a black-box manner where the way how the AI makes predictions remains opaque. This makes it difficult for humans to validate a prediction made by AI against their own domain knowledge. For this reason, we hypothesize that augmenting humans with explainable AI as a decision aid improves task performance in human-AI collaboration. To test this hypothesis, we analyze the effect of augmenting domain experts with explainable AI in the form of visual heatmaps. We then compare participants that were either supported by (a) black-box AI or (b) explainable AI, where the latter supports them to follow AI predictions when the AI is accurate or overrule the AI when the AI predictions are wrong. We conducted two preregistered experiments with representative, real-world visual inspection tasks from manufacturing and medicine. The first experiment was conducted with factory workers from an electronics factory, who performed N=9,600 assessments of whether electronic products have defects. The second experiment was conducted with radiologists, who performed N=5,650 assessments of chest X-ray images to identify lung lesions. The results of our experiments with domain experts performing real-world tasks show that task performance improves when participants are supported by explainable AI instead of black-box AI. For example, in the manufacturing setting, we find that augmenting participants with explainable AI (as opposed to black-box AI) leads to a five-fold decrease in the median error rate of human decisions, which gives a significant improvement in task performance.
Artificial Intelligence in Management
Artificial Intelligence in Management
Most adversarial attacks and defenses focus on perturbations within small -norm constraints. However, threat models cannot capture all relevant semantics-preserving perturbations, and hence, the scope of robustness evaluations is limited. In this work, we introduce Score-Based Adversarial Generation (ScoreAG), a novel framework that leverages the advancements in score-based generative models to generate unrestricted adversarial examples that overcome the limitations of -norm constraints. Unlike traditional methods, ScoreAG maintains the core semantics of images while generating adversarial examples, either by transforming existing images or synthesizing new ones entirely from scratch. We further exploit the generative capability of ScoreAG to purify images, empirically enhancing the robustness of classifiers. Our extensive empirical evaluation demonstrates that ScoreAG improves upon the majority of state-of-the-art attacks and defenses across multiple benchmarks. This work highlights the importance of investigating adversarial examples bounded by semantics rather than -norm constraints. ScoreAG represents an important step towards more encompassing robustness assessments.
Data Analytics & Machine Learning
Vision-language models (VLMs), such as CLIP and SigLIP, have found remarkable success in classification, retrieval, and generative tasks. For this, VLMs deterministically map images and text descriptions to a joint latent space in which their similarity is assessed using the cosine similarity. However, a deterministic mapping of inputs fails to capture uncertainties over concepts arising from domain shifts when used in downstream tasks. In this work, we propose post-hoc uncertainty estimation in VLMs that does not require additional training. Our method leverages a Bayesian posterior approximation over the last layers in VLMs and analytically quantifies uncertainties over cosine similarities. We demonstrate its effectiveness for uncertainty quantification and support set selection in active learning. Compared to baselines, we obtain improved and well-calibrated predictive uncertainties, interpretable uncertainty estimates, and sample-efficient active learning. Our results show promise for safety-critical applications of large-scale models.
Interpretable and Reliable Machine Learning
The investigation of magnetic energy landscapes and the search for ground states of magnetic materials using ab initio methods like density functional theory (DFT) is a challenging task. Complex interactions, such as superexchange and spin-orbit coupling, make these calculations computationally expensive and often lead to non-trivial energy landscapes. Consequently, a comprehensive and systematic investigation of large magnetic configuration spaces is often impractical. We approach this problem by utilizing Bayesian Optimization, an active machine learning scheme that has proven to be efficient in modeling unknown functions and finding global minima. Using this approach we can obtain the magnetic contribution to the energy as a function of one or more spin canting angles with relatively small numbers of DFT calculations. To assess the capabilities and the efficiency of the approach we investigate the noncollinear magnetic energy landscapes of selected materials containing 3d, 5d and 5f magnetic ions: Ba3MnNb2O9, LaMn2Si2, β-MnO2, Sr2IrO4, UO2 and Ba2NaOsO6. By comparing our results to previous ab initio studies that followed more conventional approaches, we observe significant improvements in efficiency.
Disagreement in human labeling is ubiquitous, and can be captured in human judgment distributions (HJDs). Recent research has shown that explanations provide valuable information for understanding human label variation (HLV) and large language models (LLMs) can approximate HJD from a few human-provided label-explanation pairs. However, collecting explanations for every label is still time-consuming. This paper examines whether LLMs can be used to replace humans in generating explanations for approximating HJD. Specifically, we use LLMs as annotators to generate model explanations for a few given human labels. We test ways to obtain and combine these label-explanations with the goal to approximate human judgment distribution. We further compare the resulting human with model-generated explanations, and test automatic and human explanation selection. Our experiments show that LLM explanations are promising for NLI: to estimate HJD, generated explanations yield comparable results to human’s when provided with human labels. Importantly, our results generalize from datasets with human explanations to i) datasets where they are not available and ii) challenging out-of-distribution test sets.
AI and Computational Linguistics
Digital pathology offers a groundbreaking opportunity to transform clinical practice in histopathological image analysis, yet faces a significant hurdle: the substantial file sizes of pathological Whole Slide Images (WSI). While current digital pathology solutions rely on lossy JPEG compression to address this issue, lossy compression can introduce color and texture disparities, potentially impacting clinical decision-making. While prior research addresses perceptual image quality and downstream performance independently of each other, we jointly evaluate compression schemes for perceptual and downstream task quality on four different datasets. In addition, we collect an initially uncompressed dataset for an unbiased perceptual evaluation of compression schemes. Our results show that deep learning models fine-tuned for perceptual quality outperform conventional compression schemes like JPEG-XL or WebP for further compression of WSI. However, they exhibit a significant bias towards the compression artifacts present in the training data and struggle to generalize across various compression schemes. We introduce a novel evaluation metric based on feature similarity between original files and compressed files that aligns very well with the actual downstream performance on the compressed WSI. Our metric allows for a general and standardized evaluation of lossy compression schemes and mitigates the requirement to independently assess different downstream tasks. Our study provides novel insights for the assessment of lossy compression schemes for WSI and encourages a unified evaluation of lossy compression schemes to accelerate the clinical uptake of digital pathology.
Feature-based explanations, using perturbations or gradients, are a prevalent tool to understand decisions of black box machine learning models. Yet, differences between these methods still remain mostly unknown, which limits their applicability for practitioners. In this work, we introduce a unified framework for local and global feature-based explanations using two well-established concepts: functional ANOVA (fANOVA) from statistics, and the notion of value and interaction from cooperative game theory. We introduce three fANOVA decompositions that determine the influence of feature distributions, and use game-theoretic measures, such as the Shapley value and interactions, to specify the influence of higher-order interactions. Our framework combines these two dimensions to uncover similarities and differences between a wide range of explanation techniques for features and groups of features. We then empirically showcase the usefulness of our framework on synthetic and real-world datasets.
Artificial Intelligence and Machine Learning
Julia Herbinger
Dr.
* Former Member
Semantic correspondence, the task of determining relationships between different parts of images, underpins various applications including 3D reconstruction, image-to-image translation, object tracking, and visual place recognition. Recent studies have begun to explore representations learned in large generative image models for semantic correspondence, demonstrating promising results. Building on this progress, current state-of-the-art methods rely on combining multiple large models, resulting in high computational demands and reduced efficiency. In this work, we address this challenge by proposing a more computationally efficient approach. We propose a novel knowledge distillation technique to overcome the problem of reduced efficiency. We show how to use two large vision foundation models and distill the capabilities of these complementary models into one smaller model that maintains high accuracy at reduced computational cost. Furthermore, we demonstrate that by incorporating 3D data, we are able to further improve performance, without the need for human-annotated correspondences. Overall, our empirical results demonstrate that our distilled model with 3D data augmentation achieves performance superior to current state-of-the-art methods while significantly reducing computational load and enhancing practicality for real-world applications, such as semantic video correspondence. Our code and weights are publicly available on our project page.
Accurately predicting how DNA sequence drives gene regulation and how genetic variants alter gene expression is a central challenge in genomics. Borzoi, which models over ten thousand genomic assays including RNA-seq coverage from over half a megabase of sequence context alone promises to become an important foundation model in regulatory genomics, both for massively annotating variants and for further model development. However, its reliance on handcrafted, relative positional encodings within the transformer architecture limits its computational efficiency. Here we present Flashzoi, an enhanced Borzoi model that leverages rotary positional encodings and FlashAttention-2. This achieves over 3-fold faster training and inference and up to 2.4-fold reduced memory usage, while maintaining or improving accuracy in modeling various genomic assays including RNA-seq coverage, predicting variant effects, and enhancer-promoter linking. Flashzoi{textquoteright}s improved efficiency facilitates large-scale genomic analyses and opens avenues for exploring more complex regulatory mechanisms and modeling.Competing Interest StatementThe authors have declared no competing interest.
Making inferences about physical properties of the Universe requires knowledge of the data likelihood. A Gaussian distribution is commonly assumed for the uncertainties with a covariance matrix estimated from a set of simulations. The noise in such covariance estimates causes two problems: it distorts the width of the parameter contours, and it adds scatter to the location of those contours which is not captured by the widths themselves. For non-Gaussian likelihoods, an approximation may be derived via Simulation-Based Inference (SBI). It is often implicitly assumed that parameter constraints from SBI analyses, which do not use covariance matrices, are not affected by the same problems as parameter estimation with a covariance matrix estimated from simulations. We investigate whether SBI suffers from effects similar to those of covariance estimation in Gaussian likelihoods. We use Neural Posterior and Likelihood Estimation with continuous and masked autoregressive normalizing flows for density estimation. We fit our approximate posterior models to simulations drawn from a Gaussian linear model, so that the SBI result can be compared to the true posterior. We test linear and neural network based compression, demonstrating that neither methods circumvent the issues of covariance estimation. SBI suffers an inflation of posterior variance that is equal or greater than the analytical result in covariance estimation for Gaussian likelihoods for the same number of simulations. The assumption that SBI requires a smaller number of simulations than covariance estimation for a Gaussian likelihood analysis is inaccurate. The limitations of traditional likelihood analysis with simulation-based covariance remain for SBI with a finite simulation budget. Despite these issues, we show that SBI correctly draws the true posterior contour given enough simulations.
Astrophysics, Cosmology and Artificial Intelligence
Astrophysics, Cosmology and Artificial Intelligence
In generative models, two paradigms have gained attraction in various applications: next-set prediction-based Masked Generative Models and next-noise prediction-based Non-Autoregressive Models, e.g., Diffusion Models. In this work, we propose using discrete-state models to connect them and explore their scalability in the vision domain. First, we conduct a step-by-step analysis in a unified design space across two types of models including timestep-independence, noise schedule, temperature, guidance strength, etc in a scalable manner. Second, we re-cast typical discriminative tasks, e.g., image segmentation, as an unmasking process from [MASK] tokens on a discrete-state model. This enables us to perform various sampling processes, including flexible conditional sampling by only training once to model the joint distribution. All aforementioned explorations lead to our framework named Discrete Interpolants, which enables us to achieve state-of-the-art or competitive performance compared to previous discrete-state based methods in various benchmarks, like ImageNet256, MS COCO, and video dataset FaceForensics. In summary, by leveraging [MASK] in discrete-state models, we can bridge Masked Generative and Non-autoregressive Diffusion models, as well as generative and discriminative tasks.
In situ robotic automation in construction is challenging due to constantly changing environments, a shortage of robotic experts, and a lack of standardized frameworks bridging robotics and construction practices. This work proposes a holistic framework for construction task specification, optimization of robot morphology, and mission execution using a mobile modular reconfigurable robot. Users can specify and monitor the desired robot behavior through a graphical interface. Our framework identifies an optimized robot morphology and enables automatic real-world execution by integrating Building Information Modelling (BIM). By leveraging modular robot components, we ensure seamless and fast adaption to the specific demands of the construction task. Experimental validation demonstrates that our approach robustly enables the autonomous execution of robotic drilling.
Recent advances in 3D Gaussian Splatting have shown promising results. Existing methods typically assume static scenes and/or multiple images with prior poses. Dynamics, sparse views, and unknown poses significantly increase the problem complexity due to insufficient geometric constraints. To overcome this challenge, we propose a method that can use only two images without prior poses to fit Gaussians in dynamic environments. To achieve this, we introduce two technical contributions. First, we propose an object-level two-view bundle adjustment. This strategy decomposes dynamic scenes into piece-wise rigid components, and jointly estimates the camera pose and motions of dynamic objects. Second, we design an SE(3) field-driven Gaussian training method. It enables fine-grained motion modeling through learnable per-Gaussian transformations. Our method leads to high-fidelity novel view synthesis of dynamic scenes while accurately preserving temporal consistency and object motion. Experiments on both synthetic and real-world datasets demonstrate that our method significantly outperforms state-of-the-art approaches designed for the cases of static environments, multiple images, and/or known poses.
As Artificial Intelligence (AI) technologies continue to evolve, their use in generating realistic, contextually appropriate content has expanded into various domains. Music, an art form and medium for entertainment, deeply rooted into human culture, is seeing an increased involvement of AI into its production. However, despite the effective application of AI music generation (AIGM) tools, the unregulated use of them raises concerns about potential negative impacts on the music industry, copyright and artistic integrity, underscoring the importance of effective AIGM detection. This paper provides an overview of existing AIGM detection methods. To lay a foundation to the general workings and challenges of AIGM detection, we first review general principles of AIGM, including recent advancements in deepfake audios, as well as multimodal detection techniques. We further propose a potential pathway for leveraging foundation models from audio deepfake detection to AIGM detection. Additionally, we discuss implications of these tools and propose directions for future research to address ongoing challenges in the field.
3D Gaussian Splatting has recently gained traction for its efficient training and real-time rendering. While the vanilla Gaussian Splatting representation is mainly designed for view synthesis, more recent works investigated how to extend it with scene understanding and language features. However, existing methods lack a detailed comprehension of scenes, limiting their ability to segment and interpret complex structures. To this end, We introduce SuperGSeg, a novel approach that fosters cohesive, context-aware scene representation by disentangling segmentation and language field distillation. SuperGSeg first employs neural Gaussians to learn instance and hierarchical segmentation features from multi-view images with the aid of off-the-shelf 2D masks. These features are then leveraged to create a sparse set of what we call Super-Gaussians. Super-Gaussians facilitate the distillation of 2D language features into 3D space. Through Super-Gaussians, our method enables high-dimensional language feature rendering without extreme increases in GPU memory. Extensive experiments demonstrate that SuperGSeg outperforms prior works on both open-vocabulary object localization and semantic segmentation tasks.
Computer Aided Medical Procedures & Augmented Reality
In recent research, large language models (LLMs) have been increasingly used to investigate public opinions. This study investigates the algorithmic fidelity of LLMs, i.e., the ability to replicate the socio-cultural context and nuanced opinions of human participants. Using open-ended survey data from the German Longitudinal Election Studies (GLES), we prompt different LLMs to generate synthetic public opinions reflective of German subpopulations by incorporating demographic features into the persona prompts. Our results show that Llama performs better than other LLMs at representing subpopulations, particularly when there is lower opinion diversity within those groups. Our findings further reveal that the LLM performs better for supporters of left-leaning parties like The Greens and The Left compared to other parties, and matches the least with the right-party AfD. Additionally, the inclusion or exclusion of specific variables in the prompts can significantly impact the models’ predictions. These findings underscore the importance of aligning LLMs to more effectively model diverse public opinions while minimizing political biases and enhancing robustness in representativeness.
AI and Computational Linguistics
Statistical Learning and Data Science
We investigate biases in pretraining datasets for large language models (LLMs) through dataset classification experiments. Building on prior work demonstrating the existence of biases in popular computer vision datasets, we analyze popular open-source pretraining datasets for LLMs derived from CommonCrawl including C4, RefinedWeb, DolmaCC, RedPajama-V2, FineWeb, and DCLM-Baseline. Despite those datasets being obtained with similar filtering and deduplication steps, neural networks can classify surprisingly well which dataset a single text sequence belongs to, significantly better than a human can. This indicates that popular pretraining datasets have their own unique biases or fingerprints. Those biases remain even when the text is rewritten with LLMs. Moreover, these biases propagate through training: Random sequences generated by models trained on those datasets can be classified well by a classifier trained on the original datasets.
Machine Learning and Information Processing
Accurate tree species distribution is essential for biodiversity assessment, sustainable forest management, and environmental policy. However, mapping species over large areas with satellite data is challenging due to spectral mixing and complex spatial distribution. To address this, we developed a novel deep learning model, ForestFormer, using Sentinel-2 time series data to map eight dominant tree species in Germany. ForestFormer’s dual-branch network with spectral and spatial attention modules improves classification by highlighting species-specific characteristics. Cross-validation in 2,364 National Forest Inventory plots shows that ForestFormer achieves species classification accuracy ranging from 69% to 92%, with an average accuracy of 84%, outperforming existing baseline methods. The developed ForestFormer model can help generate a large-scale and reliable tree species map for Germany, which in turn provides crucial insights into the diverse characteristics of tree species to support forest management. Our analysis of results shows that Pine is the species most resistant to disturbances, while Douglas fir is the least. Northeastern regions of Germany exhibit particularly low levels of forest biodiversity, especially in the states of Brandenburg and Berlin, followed by neighboring states such as Sachsen-Anhalt, Mecklenburg-Vorpommern, Sachsen, and Niedersachsen. In addition, climatic factors, especially water deficit, are shown to play a very important role in determining tree species distribution patterns, followed by topographic and soil factors. These findings are anticipated to provide a critical basis for environmental policy formulation, particularly in forest management strategies responding to ongoing climate change.
Transforming CO2 into methanol represents a crucial step towards closing the carbon cycle, with thermoreduction technology nearing industrial application. However, obtaining high methanol yields and ensuring the stability of heterocatalysts remain significant challenges. Herein, we present a sophisticated computational framework to accelerate the discovery of novel thermal heterogeneous catalysts, using machine-learned force fields. We propose a new catalytic descriptor, termed adsorption energy distribution, that aggregates the binding energies for different catalyst facets, binding sites, and adsorbates. The descriptor is versatile and can easily be adjusted to a specific reaction through careful choice of the key-step reactants and reaction intermediates. By applying unsupervised machine learning and statistical analysis to a dataset comprising nearly 160 metallic alloys, we offer a powerful tool for catalyst discovery. Finally, we propose new promising candidate materials such as ZnRh and ZnPt3, which to our knowledge, have not yet been tested, and discuss their possible advantage in terms of stability.
Image registration is fundamental in medical imaging applications, such as disease progression analysis or radiation therapy planning. The primary objective of image registration is to precisely capture the deformation between two or more images, typically achieved by minimizing an optimization problem. Due to its inherent ill-posedness, regularization is a key component in driving the solution toward anatomically meaningful deformations. A wide range of regularization methods has been proposed for both conventional and deep learning-based registration. However, the appropriate application of regularization techniques often depends on the specific registration problem, and no one-fits-all method exists. Despite its importance, regularization is often overlooked or addressed with default approaches, assuming existing methods are sufficient. A comprehensive and structured review remains missing. This review addresses this gap by introducing a novel taxonomy that systematically categorizes the diverse range of proposed regularization methods. It highlights the emerging field of learned regularization, which leverages data-driven techniques to automatically derive deformation properties from the data. Moreover, this review examines the transfer of regularization methods from conventional to learning-based registration, identifies open challenges, and outlines future research directions. By emphasizing the critical role of regularization in image registration, we hope to inspire the research community to reconsider regularization strategies in modern registration algorithms and to explore this rapidly evolving field further.
Adequately generating and evaluating prediction models based on supervised machine learning (ML) is often challenging, especially for less experienced users in applied research areas. Special attention is required in settings where the model generation process involves hyperparameter tuning, i.e. data-driven optimization of different types of hyperparameters to improve the predictive performance of the resulting model. Discussions about tuning typically focus on the hyperparameters of the ML algorithm (e.g., the minimum number of observations in each terminal node for a tree-based algorithm). In this context, it is often neglected that hyperparameters also exist for the preprocessing steps that are applied to the data before it is provided to the algorithm (e.g., how to handle missing feature values in the data). As a consequence, users experimenting with different preprocessing options to improve model performance may be unaware that this constitutes a form of hyperparameter tuning - albeit informal and unsystematic - and thus may fail to report or account for this optimization. To illuminate this issue, this paper reviews and empirically illustrates different procedures for generating and evaluating prediction models, explicitly addressing the different ways algorithm and preprocessing hyperparameters are typically handled by applied ML users. By highlighting potential pitfalls, especially those that may lead to exaggerated performance claims, this review aims to further improve the quality of predictive modeling in ML applications.
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Theresa Ullmann
Dr.
* Former Member
Internal features from large-scale pre-trained diffusion models have recently been established as powerful semantic descriptors for a wide range of downstream tasks. Works that use these features generally need to add noise to images before passing them through the model to obtain the semantic features, as the models do not offer the most useful features when given images with little to no noise. We show that this noise has a critical impact on the usefulness of these features that cannot be remedied by ensembling with different random noises. We address this issue by introducing a lightweight, unsupervised fine-tuning method that enables diffusion backbones to provide high-quality, noise-free semantic features. We show that these features readily outperform previous diffusion features by a wide margin in a wide variety of extraction setups and downstream tasks, offering better performance than even ensemble-based methods at a fraction of the cost.
As Artificial Intelligence (AI) continues to advance rapidly, Friendly AI (FAI) has been proposed to advocate for more equitable and fair development of AI. Despite its importance, there is a lack of comprehensive reviews examining FAI from an ethical perspective, as well as limited discussion on its potential applications and future directions. This paper addresses these gaps by providing a thorough review of FAI, focusing on theoretical perspectives both for and against its development, and presenting a formal definition in a clear and accessible format. Key applications are discussed from the perspectives of eXplainable AI (XAI), privacy, fairness and affective computing (AC). Additionally, the paper identifies challenges in current technological advancements and explores future research avenues. The findings emphasise the significance of developing FAI and advocate for its continued advancement to ensure ethical and beneficial AI development.
Ambiguity resolution is key to effective communication. While humans effortlessly address ambiguity through conversational grounding strategies, the extent to which current language models can emulate these strategies remains unclear. In this work, we examine referential ambiguity in image-based question answering by introducing RACQUET, a carefully curated dataset targeting distinct aspects of ambiguity. Through a series of evaluations, we reveal significant limitations and problems of overconfidence of state-of-the-art large multimodal language models in addressing ambiguity in their responses. The overconfidence issue becomes particularly relevant for RACQUET-BIAS, a subset designed to analyze a critical yet underexplored problem: failing to address ambiguity leads to stereotypical, socially biased responses. Our results underscore the urgency of equipping models with robust strategies to deal with uncertainty without resorting to undesirable stereotypes.
Schizophrenia is a psychiatric disorder hypothesized to result from disturbed brain connectivity. Structural covariance networks (SCN) describe the shared variation in morphological properties emerging from coordinated neurodevelopmental processes and may, thus, be a promising diagnostic biomarker for schizophrenia.We compared the diagnostic value of two SCN computation methods derived from regional gray matter volume (GMV) in 154 patients with a diagnosis of first episode psychosis or recurrent schizophrenia (PAT) and 366 healthy control individuals (HC). The first method (REF-SCN) quantifies the contribution of an individual to a normative reference group’s SCN, and the second approach (KLS-SCN) uses a symmetric version of Kulback-Leibler divergence. Their diagnostic value compared to regional GMV was assessed in a stepwise analysis using a series of linear support vector machines within a nested cross-validation framework and stacked generalization, all models were externally validated in an independent sample (NPAT=71, NHC=74), SCN feature importance was assessed, and the derived risk scores were analyzed for differential relationships with clinical variables.We found that models trained on SCNs were able to classify patients with schizophrenia and combining SCNs and regional GMV in a stacked model improved training (balanced accuracy (BAC)=69.96%) and external validation performance (BAC=67.10%). Among all unimodal models, the highest discovery sample performance was achieved by a model trained on REF-SCN (balanced accuracy (BAC=67.03%). All model decisions were driven by widespread structural covariance alterations involving the somato-motor, default mode, control, visual, and the ventral attention networks. Risk estimates derived from KLS-SCNs and regional GMV, but not REF-SCNs, could be predicted from clinical variables, especially driven by body mass index (BMI) and affect-related negative symptoms. These patterns of results show that different SCN computation approaches capture different aspects of the disease. While REF-SCNs contain valuable information for discriminating schizophrenia from healthy control individuals, KLS-SCNs may capture more nuanced symptom-level characteristics similar to those captured by PCA of regional GMV.
Artificial Intelligence in Healthcare and Medicine
Vision tokenizers have gained a lot of attraction due to their scalability and compactness; previous works depend on old-school GAN-based hyperparameters, biased comparisons, and a lack of comprehensive analysis of the scaling behaviours. To tackle those issues, we introduce Grouped Spherical Quantization (GSQ), featuring spherical codebook initialization and lookup regularization to constrain codebook latent to a spherical surface. Our empirical analysis of image tokenizer training strategies demonstrates that GSQ-GAN achieves superior reconstruction quality over state-of-the-art methods with fewer training iterations, providing a solid foundation for scaling studies. Building on this, we systematically examine the scaling behaviours of GSQ, specifically in latent dimensionality, codebook size, and compression ratios, and their impact on model performance. Our findings reveal distinct behaviours at high and low spatial compression levels, underscoring challenges in representing high-dimensional latent spaces. We show that GSQ can restructure high-dimensional latent into compact, low-dimensional spaces, thus enabling efficient scaling with improved quality. As a result, GSQ-GAN achieves a 16x down-sampling with a reconstruction FID (rFID) of 0.50.
Uncertainty quantification (UQ) is essential for assessing the reliability of Earth observation (EO) products. However, the extensive use of machine learning models in EO introduces an additional layer of complexity, as those models themselves are inherently uncertain. While various UQ methods do exist for machine learning models, their performance on EO datasets remains largely unevaluated. A key challenge in the community is the absence of the ground truth for uncertainty, i.e. how certain the uncertainty estimates are, apart from the labels for the image/signal. This article fills this gap by introducing three benchmark datasets specifically designed for UQ in EO machine learning models. These datasets address three common problem types in EO: regression, image segmentation, and scene classification. They enable a transparent comparison of different UQ methods for EO machine learning models. We describe the creation and characteristics of each dataset, including data sources, preprocessing steps, and label generation, with a particular focus on calculating the reference uncertainty. We also showcase baseline performance of several machine learning models on each dataset, highlighting the utility of these benchmarks for model development and comparison. Overall, this article offers a valuable resource for researchers and practitioners working in artificial intelligence for EO, promoting a more accurate and reliable quality measure of the outputs of machine learning models.
Biophysical modeling of brain tumors has emerged as a promising strategy for personalizing radiotherapy planning by estimating the otherwise hidden distribution of tumor cells within the brain. However, many existing state-of-the-art methods are computationally intensive, limiting their widespread translation into clinical practice. In this work, we propose an efficient and direct method that utilizes soft physical constraints to estimate the tumor cell concentration from preoperative MRI of brain tumor patients. Our approach optimizes a 3D tumor concentration field by simultaneously minimizing the difference between the observed MRI and a physically informed loss function. Compared to existing state-of-the-art techniques, our method significantly improves predicting tumor recurrence on two public datasets with a total of 192 patients while maintaining a clinically viable runtime of under one minute - a substantial reduction from the 30 minutes required by the current best approach. Furthermore, we showcase the generalizability of our framework by incorporating additional imaging information and physical constraints, highlighting its potential to translate to various medical diffusion phenomena with imperfect data.
Aspect-based sentiment analysis (ABSA), a sequence labeling task, has attracted increasing attention in multilingual contexts. While previous research has focused largely on fine-tuning or training models specifically for ABSA, we evaluate large language models (LLMs) under zero-shot conditions to explore their potential to tackle this challenge with minimal task-specific adaptation. We conduct a comprehensive empirical evaluation of a series of LLMs on multilingual ABSA tasks, investigating various prompting strategies, including vanilla zero-shot, chain-of-thought (CoT), self-improvement, self-debate, and self-consistency, across nine different models. Results indicate that while LLMs show promise in handling multilingual ABSA, they generally fall short of fine-tuned, task-specific models. Notably, simpler zero-shot prompts often outperform more complex strategies, especially in high-resource languages like English. These findings underscore the need for further refinement of LLM-based approaches to effectively address ABSA task across diverse languages.
To date, most place recognition methods focus on single-modality retrieval. While they perform well in specific environments, cross-modal methods offer greater flexibility by allowing seamless switching between map and query sources. It also promises to reduce computation requirements by having a unified model, and achieving greater sample efficiency by sharing parameters. In this work, we develop a universal solution to place recognition, UniLoc, that works with any single query modality (natural language, image, or point cloud). UniLoc leverages recent advances in large-scale contrastive learning, and learns by matching hierarchically at two levels: instance-level matching and scene-level matching. Specifically, we propose a novel Self-Attention based Pooling (SAP) module to evaluate the importance of instance descriptors when aggregated into a place-level descriptor. Experiments on the KITTI-360 dataset demonstrate the benefits of cross-modality for place recognition, achieving superior performance in cross-modal settings and competitive results also for uni-modal scenarios.
We tackle the problem of localizing the traffic surveillance cameras in cooperative perception. To overcome the lack of large-scale real-world intersection datasets, we introduce Carla Intersection, a new simulated dataset with 75 urban and rural intersections in Carla. Moreover, we introduce a novel neural network, TrafficLoc, localizing traffic cameras within a 3D reference map. TrafficLoc employs a coarse-to-fine matching pipeline. For image-point cloud feature fusion, we propose a novel Geometry-guided Attention Loss to address cross-modal viewpoint inconsistencies. During coarse matching, we propose an Inter-Intra Contrastive Learning to achieve precise alignment while preserving distinctiveness among local intra-features within image patch-point group pairs. Besides, we introduce Dense Training Alignment with a soft-argmax operator to consider additional features when regressing the final position. Extensive experiments show that our TrafficLoc improves the localization accuracy over the state-of-the-art Image-to-point cloud registration methods by a large margin (up to 86%) on Carla Intersection and generalizes well to real-world data. TrafficLoc also achieves new SOTA performance on KITTI and NuScenes datasets, demonstrating strong localization ability across both in-vehicle and traffic cameras.
The rapid evolution of Vision Language Models (VLMs) has catalyzed significant advancements in artificial intelligence, expanding research across various disciplines, including Earth Observation (EO). While VLMs have enhanced image understanding and data processing within EO, their applications have predominantly focused on image content description. This limited focus overlooks their potential in geographic and scientific regression tasks, which are essential for diverse EO applications. To bridge this gap, this paper introduces a novel benchmark dataset, called textbf{REO-Instruct} to unify regression and generation tasks specifically for the EO domain. Comprising 1.6 million multimodal EO imagery and language pairs, this dataset is designed to support both biomass regression and image content interpretation tasks. Leveraging this dataset, we develop REO-VLM, a groundbreaking model that seamlessly integrates regression capabilities with traditional generative functions. By utilizing language-driven reasoning to incorporate scientific domain knowledge, REO-VLM goes beyond solely relying on EO imagery, enabling comprehensive interpretation of complex scientific attributes from EO data. This approach establishes new performance benchmarks and significantly enhances the capabilities of environmental monitoring and resource management.
Hate speech online remains an understudied issue for marginalized communities, and has seen rising relevance, especially in the Global South, which includes developing societies with increasing internet penetration. In this paper, we aim to provide marginalized communities living in societies where the dominant language is low-resource with a privacy-preserving tool to protect themselves from hate speech on the internet by filtering offensive content in their native languages. Our contribution in this paper is twofold: 1) we release REACT (REsponsive hate speech datasets Across ConTexts), a collection of high-quality, culture-specific hate speech detection datasets comprising seven distinct target groups in eight low-resource languages, curated by experienced data collectors; 2) we propose a solution to few-shot hate speech detection utilizing federated learning (FL), a privacy-preserving and collaborative learning approach, to continuously improve a central model that exhibits robustness when tackling different target groups and languages. By keeping the training local to the users’ devices, we ensure the privacy of the users’ data while benefitting from the efficiency of federated learning. Furthermore, we personalize client models to target-specific training data and evaluate their performance. Our results indicate the effectiveness of FL across different target groups, whereas the benefits of personalization on few-shot learning are not clear.
Computational Linguistics
While conventional computer vision emphasizes pixel-level and feature-based objectives, medical image analysis of intricate biological structures necessitates explicit representation of their complex topological properties. Despite their successes, deep learning models often struggle to accurately capture the connectivity and continuity of fine, sometimes pixel-thin, yet critical structures due to their reliance on implicit learning from data. Such shortcomings can significantly impact the reliability of analysis results and hinder clinical decision-making. To address this challenge, we introduce Conformable Convolution, a novel convolutional layer designed to explicitly enforce topological consistency. Conformable Convolution learns adaptive kernel offsets that preferentially focus on regions of high topological significance within an image. This prioritization is guided by our proposed Topological Posterior Generator (TPG) module, which leverages persistent homology. The TPG module identifies key topological features and guides the convolutional layers by applying persistent homology to feature maps transformed into cubical complexes. Our proposed modules are architecture-agnostic, enabling them to be integrated seamlessly into various architectures. We showcase the effectiveness of our framework in the segmentation task, where preserving the interconnectedness of structures is critical. Experimental results on three diverse datasets demonstrate that our framework effectively preserves the topology in the segmentation downstream task, both quantitatively and qualitatively.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Automatic recognition of speaker’s states and traits is crucial to facilitate a more naturalistic human-AI interaction – a key focus in human-computer interaction to enhance user experience. One particularly important trait in daily life is charisma. To date, its definition is still controversial. However, it seems that there are characteristics in speech that the majority perceives as charismatic. To this end, we address the novel speech-based task of charisma recognition in a three-fold approach. First, we predict charismatic speech using both interpretable acoustic features and embeddings of two audio Transformers. Afterwards, we make use of auxiliary labels that are highly correlated with charisma, including enthusiastic, likeable, attractive, warm, and leader-like, to check their impact on charisma recognition. Finally, we personalise the best model, taking individual speech characteristics into account. In our experiments, we demonstrate that the charisma prediction model benefits from integrating auxiliary characteristics as well as from the personalised approach, resulting in a best Pearson’s correlation coefficient of 0.4304.
The delayed access to specialized psychiatric assessments and care for patients at risk of suicidal tendencies in emergency departments creates a notable gap in timely intervention, hindering the provision of adequate mental health support during critical situations. To address this, we present a non-invasive, speech-based approach for automatic suicide risk assessment. For our study, we collected a novel speech recording dataset from 20 patients. We extract three sets of features, including wav2vec, interpretable speech and acoustic features, and deep learning-based spectral representations. We proceed by conducting a binary classification to assess suicide risk in a leave-one-subject-out fashion. Our most effective speech model achieves a balanced accuracy of 66.2%. Moreover, we show that integrating our speech model with a series of patients’ metadata, such as the history of suicide attempts or access to firearms, improves the overall result. The metadata integration yields a balanced accuracy of 94.4%, marking an absolute improvement of 28.2%, demonstrating the efficacy of our proposed approaches for automatic suicide risk assessment in emergency medicine.
The role of subword segmentation in relation to capturing morphological patterns in LLMs is currently not well explored. Ideally, one would train models like GPT using various segmentations and evaluate how well word meanings are captured. Since this is not computationally feasible, we group words according to their segmentation properties and compare how well a model can solve a linguistic task for these groups. We study two criteria: (i) adherence to morpheme boundaries and (ii) the segmentation consistency of the different inflected forms of a lemma. We select word forms with high and low values for these criteria and carry out experiments on GPT-4o’s ability to capture verbal inflection for 10 languages. Our results indicate that in particular the criterion of segmentation consistency can help to predict the model’s ability to recognize and generate the lemma from an inflected form, providing evidence that subword segmentation is relevant.
Large Language Models (LLMs) show remarkable performance on a wide variety of tasks. Most LLMs split text into multi-character tokens and process them as atomic units without direct access to individual characters. This raises the question: To what extent can LLMs learn orthographic information? To answer this, we propose a new benchmark, CUTE, which features a collection of tasks designed to test the orthographic knowledge of LLMs. We evaluate popular LLMs on CUTE, finding that most of them seem to know the spelling of their tokens, yet fail to use this information effectively to manipulate text, calling into question how much of this knowledge is generalizable.
Data Analytics & Statistics
Text style transfer (TST) aims to modify the style of a text without altering its original meaning. Large language models (LLMs) demonstrate superior performance across multiple tasks, including TST. However, in zero-shot setups, they tend to directly copy a significant portion of the input text to the output without effectively changing its style. To enhance the stylistic variety and fluency of the text, we present sNeuron-TST, a novel approach for steering LLMs using style-specific neurons in TST. Specifically, we identify neurons associated with the source and target styles and deactivate source-style-only neurons to give target-style words a higher probability, aiming to enhance the stylistic diversity of the generated text. However, we find that this deactivation negatively impacts the fluency of the generated text, which we address by proposing an improved contrastive decoding method that accounts for rapid token probability shifts across layers caused by deactivated source-style neurons. Empirical experiments demonstrate the effectiveness of the proposed method on six benchmarks, encompassing formality, toxicity, politics, politeness, authorship, and sentiment.
Work on shallow discourse parsing in English has focused on the Wall Street Journal corpus, the only large-scale dataset for the language in the PDTB framework. However, the data is not openly available, is restricted to the news domain, and is by now 35 years old. In this paper, we present and evaluate a new open-access, multi-genre benchmark for PDTB-style shallow discourse parsing, based on the existing UD English GUM corpus, for which discourse relation annotations in other frameworks already exist. In a series of experiments on cross-domain relation classification, we show that while our dataset is compatible with PDTB, substantial out-of-domain degradation is observed, which can be alleviated by joint training on both datasets.
AI and Computational Linguistics
Full-parameter fine-tuning has become the go-to choice for adapting language models (LMs) to downstream tasks due to its excellent performance. As LMs grow in size, fine-tuning the full parameters of LMs requires a prohibitively large amount of GPU memory. Existing approaches utilize zeroth-order optimizer to conserve GPU memory, which can potentially compromise the performance of LMs as non-zero order optimizers tend to converge more readily on most downstream tasks. In this paper, we propose a novel optimizer-independent end-to-end hierarchical fine-tuning strategy, HiFT, which only updates a subset of parameters at each training step. HiFT can significantly reduce the amount of gradients and optimizer state parameters residing in GPU memory at the same time, thereby reducing GPU memory usage. Our results demonstrate that: (1) HiFT achieves comparable performance to parameter-efficient fine-tuning and standard full parameter fine-tuning. (2) HiFT supports various optimizers including AdamW, AdaGrad, SGD, etc. (3) HiFT can save more than 60% GPU memory compared with standard full-parameter fine-tuning for 7B model. (4) HiFT enables full-parameter fine-tuning of a 7B model on single 48G A6000 with a precision of 32 using the AdamW optimizer, without using any memory saving techniques.
Knights and knaves problems represent a classic genre of logical puzzles where characters either tell the truth or lie. The objective is to logically deduce each character’s identity based on their statements. The challenge arises from the truth-telling or lying behavior, which influences the logical implications of each statement. Solving these puzzles requires not only direct deductions from individual statements, but the ability to assess the truthfulness of statements by reasoning through various hypothetical scenarios. As such, knights and knaves puzzles serve as compelling examples of suppositional reasoning. In this paper, we introduce TruthQuest, a benchmark for suppositional reasoning based on the principles of knights and knaves puzzles. Our benchmark presents problems of varying complexity, considering both the number of characters and the types of logical statements involved. Evaluations on TruthQuest show that large language models like Llama 3 and Mixtral-8x7B exhibit significant difficulties solving these tasks. A detailed error analysis of the models’ output reveals that lower-performing models exhibit a diverse range of reasoning errors, frequently failing to grasp the concept of truth and lies. In comparison, more proficient models primarily struggle with accurately inferring the logical implications of potentially false statements.
AI and Computational Linguistics
Generating ironic content is challenging: it requires a nuanced understanding of context and implicit references and balancing seriousness and playfulness. Moreover, irony is highly subjective and can depend on various factors, such as social, cultural, or generational aspects. This paper explores whether Large Language Models (LLMs) can learn to generate ironic responses to social media posts. To do so, we fine-tune two models to generate ironic and non-ironic content and deeply analyze their outputs’ linguistic characteristics, their connection to the original post, and their similarity to the human-written replies. We also conduct a large-scale human evaluation of the outputs. Additionally, we investigate whether LLMs can learn a form of irony tied to a generational perspective, with mixed results.
AI and Computational Linguistics
Human label variation (HLV) is a valuable source of information that arises when multiple human annotators provide different labels for valid reasons. In Natural Language Inference (NLI) earlier approaches to capturing HLV involve either collecting annotations from many crowd workers to represent human judgment distribution (HJD) or use expert linguists to provide detailed explanations for their chosen labels. While the former method provides denser HJD information, obtaining it is resource-intensive. In contrast, the latter offers richer textual information but it is challenging to scale up to many human judges. Besides, large language models (LLMs) are increasingly used as evaluators (‘LLM judges’) but with mixed results, and few works aim to study HJDs. This study proposes to exploit LLMs to approximate HJDs using a small number of expert labels and explanations. Our experiments show that a few explanations significantly improve LLMs’ ability to approximate HJDs with and without explicit labels, thereby providing a solution to scale up annotations for HJD. However, fine-tuning smaller soft-label aware models with the LLM-generated model judgment distributions (MJDs) presents partially inconsistent results: while similar in distance, their resulting fine-tuned models and visualized distributions differ substantially. We show the importance of complementing instance-level distance measures with a global-level shape metric and visualization to more effectively evaluate MJDs against human judgment distributions.
AI and Computational Linguistics
AI and Computational Linguistics
AI and Computational Linguistics
Stemming from traditional knowledge graphs (KGs), hyper-relational KGs (HKGs) provide additional key-value pairs (i.e., qualifiers) for each KG fact that help to better restrict the fact validity. In recent years, there has been an increasing interest in studying graph reasoning over HKGs. Meanwhile, as discussed in recent works that focus on temporal KGs (TKGs), world knowledge is ever-evolving, making it important to reason over temporal facts in KGs. Previous mainstream benchmark HKGs do not explicitly specify temporal information for each HKG fact. Therefore, almost all existing HKG reasoning approaches do not devise any module specifically for temporal reasoning. To better study temporal fact reasoning over HKGs, we propose a new type of data structure named hyper-relational TKG (HTKG). Every fact in an HTKG is coupled with a timestamp explicitly indicating its time validity. We develop two new benchmark HTKG datasets, i.e., Wiki-hy and YAGO-hy, and propose an HTKG reasoning model that efficiently models hyper-relational temporal facts. To support future research on this topic, we open-source our datasets and model.
Decoding from the output distributions of large language models to produce high-quality text is a complex challenge in language modeling. Various approaches, such as beam search, sampling with temperature, k−sampling, nucleus p−sampling, typical decoding, contrastive decoding, and contrastive search, have been proposed to address this problem, aiming to improve coherence, diversity, as well as resemblance to human-generated text. In this study, we introduce adaptive contrastive search, a novel decoding strategy extending contrastive search by incorporating an adaptive degeneration penalty, guided by the estimated uncertainty of the model at each generation step. This strategy is designed to enhance both the creativity and diversity of the language modeling process while at the same time producing coherent and high-quality generated text output. Our findings indicate performance enhancement in both aspects, across different model architectures and datasets, underscoring the effectiveness of our method in text generation tasks. Our code base, datasets, and models are publicly available.
Statistical Learning and Data Science
Statistical Learning and Data Science
Instruction tuning enables language models to more effectively generalize and better follow user intent. However, obtaining instruction data is costly and challenging. Prior work employs methods such as expensive human annotation, crowd-sourced datasets with alignment issues, and generating noisy examples via LLMs. We introduce the LongForm-C dataset, which is created by reverse instructions. We generate instructions via LLMs for human-written corpus examples using reverse instructions. First we select a diverse set of human-written documents from corpora such as C4 and Wikipedia; then we generate instructions for these documents via LLMs. This approach provides a cheaper and cleaner instruction-tuning dataset with natural output and one suitable for long text generation. Our models outperform 10x larger language models without instruction tuning on tasks such as story/recipe generation and long-form question answering. Moreover, LongForm models outperform prior instruction-tuned models such as FLAN-T5 and Alpaca by a large margin, and improve language understanding capabilities further.
Computational Linguistics
In the video-language domain, recent works in leveraging zero-shot Large Language Model-based reasoning for video understanding have become competitive challengers to previous end-to-end models. However, long video understanding presents unique challenges due to the complexity of reasoning over extended timespans, even for zero-shot LLM-based approaches. The challenge of information redundancy in long videos prompts the question of what specific information is essential for large language models (LLMs) and how to leverage them for complex spatial-temporal reasoning in long-form video analysis. We propose a framework VideoINSTA, i.e. INformative Spatial-TemporAl Reasoning for zero-shot long-form video understanding. VideoINSTA contributes (1) a zero-shot framework for long video understanding using LLMs; (2) an event-based temporal reasoning and content-based spatial reasoning approach for LLMs to reason over spatial-temporal information in videos; (3) a self-reflective information reasoning scheme balancing temporal factors based on information sufficiency and prediction confidence. Our model significantly improves the state-of-the-art on three long video question-answering benchmarks: EgoSchema, NextQA, and IntentQA, and the open question answering dataset ActivityNetQA.
Computer Aided Medical Procedures & Augmented Reality
Recent advances in Large Language Models (LLMs) have sparked wide interest in validating and comprehending the human-like cognitive-behavioral traits LLMs may capture and convey. These cognitive-behavioral traits include typically Attitudes, Opinions, Values (AOVs). However, measuring AOVs embedded within LLMs remains opaque, and different evaluation methods may yield different results. This has led to a lack of clarity on how different studies are related to each other and how they can be interpreted. This paper aims to bridge this gap by providing a comprehensive overview of recent works on the evaluation of AOVs in LLMs. Moreover, we survey related approaches in different stages of the evaluation pipeline in these works. By doing so, we address the potential and challenges with respect to understanding the model, human-AI alignment, and downstream application in social sciences. Finally, we provide practical insights into evaluation methods, model enhancement, and interdisciplinary collaboration, thereby contributing to the evolving landscape of evaluating AOVs in LLMs.
AI and Computational Linguistics
Many datasets have been developed to train and evaluate document-level relation extraction (RE) models. Most of these are constructed using real-world data. It has been shown that RE models trained on real-world data suffer from factual biases. To evaluate and address this issue, we present CovEReD, a counterfactual data generation approach for document-level relation extraction datasets using entity replacement. We first demonstrate that models trained on factual data exhibit inconsistent behavior: while they accurately extract triples from factual data, they fail to extract the same triples after counterfactual modification. This inconsistency suggests that models trained on factual data rely on spurious signals such as specific entities and external knowledge – rather than on the input context – to extract triples. We show that by generating document-level counterfactual data with CovEReD and training models on them, consistency is maintained with minimal impact on RE performance. We release our CovEReD pipeline as well as Re-DocRED-CF, a dataset of counterfactual RE documents, to assist in evaluating and addressing inconsistency in document-level RE.
Computational Linguistics
One of the major aspects contributing to the striking performance of large language models (LLMs) is the vast amount of factual knowledge accumulated during pre-training. Yet, many LLMs suffer from self-inconsistency, which raises doubts about their trustworthiness and reliability. This paper focuses on entity type ambiguity, analyzing the proficiency and consistency of state-of-the-art LLMs in applying factual knowledge when prompted with ambiguous entities. To do so, we propose an evaluation protocol that disentangles knowing from applying knowledge, and test state-of-the-art LLMs on 49 ambiguous entities. Our experiments reveal that LLMs struggle with choosing the correct entity reading, achieving an average accuracy of only 85%, and as low as 75% with underspecified prompts. The results also reveal systematic discrepancies in LLM behavior, showing that while the models may possess knowledge, they struggle to apply it consistently, exhibit biases toward preferred readings, and display self-inconsistencies. This highlights the need to address entity ambiguity in the future for more trustworthy LLMs.
AI and Computational Linguistics
To ensure large language models contain up-to-date knowledge, they need to be updated regularly. However, model editing is challenging as it might also affect knowledge that is unrelated to the new data. State-of-the-art methods identify parameters associated with specific knowledge and then modify them via direct weight updates. However, these locate-and-edit methods suffer from heavy computational overhead and lack theoretical validation. In contrast, directly fine-tuning the model on requested edits affects the model’s behavior on unrelated knowledge, and significantly damages the model’s generation fluency and consistency. To address these challenges, we propose SAUL, a streamlined model editing method that uses sentence concatenation with augmented random facts for generation regularization. Evaluations on three model editing benchmarks show that SAUL is a practical and reliable solution for model editing outperforming state-of-the-art methods while maintaining generation quality and reducing computational overhead.
Multilingual pre-trained models (mPLMs) have shown impressive performance on cross-lingual transfer tasks. However, the transfer performance is often hindered when a low-resource target language is written in a different script than the high-resource source language, even though the two languages may be related or share parts of their vocabularies. Inspired by recent work that uses transliteration to address this problem, our paper proposes a transliteration-based post-pretraining alignment (PPA) method aiming to improve the cross-lingual alignment between languages using diverse scripts. We select two areal language groups, Mediterranean-Amharic-Farsi and South+East Asian Languages, wherein the languages are mutually influenced but use different scripts. We apply our method to these language groups and conduct extensive experiments on a spectrum of downstream tasks. The results show that after PPA, models consistently outperform the original model (up to 50% for some tasks) in English-centric transfer. In addition, when we use languages other than English as sources in transfer, our method obtains even larger improvements.
Multiple choice question answering tasks evaluate the reasoning, comprehension, and mathematical abilities of Large Language Models (LLMs). While existing benchmarks employ automatic translation for multilingual evaluation, this approach is error-prone and potentially introduces culturally biased questions, especially in social sciences. We introduce the first multitask, multiple-choice Turkish QA benchmark, TurkishMMLU, to evaluate LLMs’ understanding of the Turkish language. TurkishMMLU includes over 10,000 questions, covering 9 different subjects from Turkish high-school education curricula. These questions are written by curriculum experts, suitable for the high-school curricula in Turkey, covering subjects ranging from natural sciences and math questions to more culturally representative topics such as Turkish Literature and the history of the Turkish Republic. We evaluate over 20 LLMs, including multilingual open-source (e.g., Gemma, Llama, MT5), closed-source (GPT 4o, Claude, Gemini), and Turkish-adapted (e.g., Trendyol) models. We provide an extensive evaluation, including zero-shot and few-shot evaluation of LLMs, chain-of-thought reasoning, and question difficulty analysis along with model performance. We provide an in-depth analysis of the Turkish capabilities and limitations of current LLMs to provide insights for future LLMs for the Turkish language.
Computational Linguistics
Question decomposition has emerged as an effective strategy for prompting Large Language Models (LLMs) to answer complex questions. However, while existing methods primarily focus on unimodal language models, the question decomposition capability of Multimodal Large Language Models (MLLMs) has yet to be explored. To this end, this paper explores visual question decomposition on MLLMs. Specifically, we introduce a systematic evaluation framework including a dataset and several evaluation criteria to assess the quality of the decomposed sub-questions, revealing that existing MLLMs struggle to produce high-quality sub-questions. To address this limitation, we propose a specific finetuning dataset, DecoVQA+, for enhancing the model’s question decomposition capability. Aiming at enabling models to perform appropriate selective decomposition, we propose an efficient finetuning pipeline. The finetuning pipeline consists of our proposed dataset and a training objective for selective decomposition. Finetuned MLLMs demonstrate significant improvements in the quality of sub-questions and the policy of selective question decomposition. Additionally, the models also achieve higher accuracy with selective decomposition on VQA benchmark datasets.
Traditional benchmarking in NLP typically involves using static held-out test sets. However, this approach often results in an overestimation of performance and lacks the ability to offer comprehensive, interpretable, and dynamic assessments of NLP models. Recently, works like DynaBench (Kiela et al., 2021) and CheckList (Ribeiro et al., 2020) have addressed these limitations through behavioral testing of NLP models with test types generated by a multistep human-annotated pipeline. Unfortunately, manually creating a variety of test types requires much human labor, often at prohibitive cost. In this work, we propose SYNTHEVAL, a hybrid behavioral testing framework that leverages large language models (LLMs) to generate a wide range of test types for a comprehensive evaluation of NLP models. SYNTHEVAL first generates sentences via LLMs using controlled generation, and then identifies challenging examples by comparing the predictions made by LLMs with task-specific NLP models. In the last stage, human experts investigate the challenging examples, manually design templates, and identify the types of failures the taskspecific models consistently exhibit. We apply SYNTHEVAL to two classification tasks, sentiment analysis and toxic language detection, and show that our framework is effective in identifying weaknesses of strong models on these tasks.
AI and Computational Linguistics
Computational Linguistics
We present the joint CUNI and LMU submission to the MRL 2024 Shared Task on Multi-lingual Multi-task Information Retrieval. The shared task objective was to explore how we can deploy modern methods in NLP in multi-lingual low-resource settings, tested on two sub-tasks: Named-entity recognition and question answering. Our solutions to the subtasks are based on data acquisition and model adaptation. We compare the performance of our submitted systems with the translate-test approach which proved to be the most useful in the previous edition of the shared task. Our results show that using more data as well as fine-tuning recent multilingual pre-trained models leads to considerable improvements over the translate-test baseline.
Data Analytics & Statistics
Climate change (CC) has attracted increasing attention in NLP in recent years. However, detecting the stance on CC in multimodal data is understudied and remains challenging due to a lack of reliable datasets. To improve the understanding of public opinions and communication strategies, this paper presents MultiClimate, the first open-source manually-annotated stance detection dataset with 100 CC-related YouTube videos and 4,209 frame-transcript pairs. We deploy state-of-the-art vision and language models, as well as multimodal models for MultiClimate stance detection. Results show that text-only BERT significantly outperforms image-only ResNet50 and ViT. Combining both modalities achieves state-of-the-art, 0.747/0.749 in accuracy/F1. Our 100M-sized fusion models also beat CLIP and BLIP, as well as the much larger 9B-sized multimodal IDEFICS and text-only Llama3 and Gemma2, indicating that multimodal stance detection remains challenging for large language models.
AI and Computational Linguistics
We analyse four different acoustic feature sets towards the automatic recognition of depression from speech signals. Specifically, the feature sets investigated are based on Mel-Frequency Cepstral Coefficients (MFCC), the Low-Level Descriptors (LLD) of the eGeMAPS feature set, Mel-spectrogram coefficients, and pretrained self-supervised Wav2Vec 2.0 representations. The main hypothesis investigated lies in the use of a multi-triplet loss to improve the inter-class separability of the data representations learnt in the embedding space, boosting, ultimately, the overall system performance. To assess this aspect, we implement three different techniques to perform the classification of the embedded representations learnt. These include the combination of two fully connected layers with softmax, a linear support vector classifier, and a clustering-based classifier with k−Means. We conduct our experiments on the Extended Distress Analysis Interview Corpus, released in the Detecting Depression Subchallenge (DDS) of the 9th Audio/Visual Emotion Challenge (AVEC), in 2019. We select the Unweighted Average Recall (UAR) as the evaluation metric. Our best model exploits the eGeMAPS-based feature set, optimises a triplet loss, and utilises a LinearSVC as the classifier. Tackling the task as a 6-class classification problem, this model scores a UAR of 25.7% on the test partition, an increment in 9% of the chance level.
We explore the utilisation of prototypical networks in the Speech Emotion Recognition (SER) problem, creating prototypical representations of the targeted emotions in the embeddings space. We hypothesise this technique can help to improve the performance and robustness of the models, in comparison to standard classification-based approaches. We investigate two approaches to train the prototypes: one optimising a triplet loss, and the other minimising a prototypical loss. To assess our hypothesis, we exploit the EmoMatchSpanishDB Corpus; a novel dataset for SER in Spanish, which includes speech samples conveying the six basic emotions defined by Paul Ekman, in addition to the neutral state. We methodologically split the available samples into three speaker-independent train, development, and test partitions. The proposed splitting is not only balanced in terms of the speakers’ gender, but also homogenised in terms of their recognition difficulty. We analyse the performance of our models with a gender perspective. The models exploit the eGeMAPS and the wav2vec 2.0 feature representations extracted from the speech samples. We choose the Unweighted Average Recall (UAR) as the evaluation metric to assess the models’ performance. The chance level UAR for a seven-class classification problem is 14.3%. The models optimising the prototypical loss obtain the highest UAR scores on the test set, 52.0% and 52.7%, with the eGeMAPS and the wav2vec 2.0 representations, respectively. Nevertheless, the best performances are obtained with a Support Vector Classifier (SVC) implementing a radial basis function kernel, with a UAR of 54.4% and 56.9% when exploiting the eGeMAPS and the wav2vec 2.0 representations, respectively.
We investigate the use of prototypical networks on the problems of face mask type (3 classes), face mask coverage area (3 classes), and face mask type and coverage area (5 classes) recognition from speech. We explore the MASCFLICHT Corpus, a dataset containing 2 h 27 m 55 s of speech data from 30 German speakers recorded with a smartphone. We extract formant-related features and the spectrogram representations from the samples. We enrich the spectrograms overlaying the traces of the central frequency of the first four formants. Our experiments also consider the fusion via concatenation of the embedded representations extracted from the formant-related features and the spectrogram representations. We implement classification- and prototypical encoder-based networks. The results obtained on the test sets support the suitability of the prototypical encoder models, scoring an Unweighted Average Recall (UAR) of 49.9%, 45.0%, and 31.6% on the three considered problems, respectively.
Generative artificial intelligence (AI) presents large risks for society when it is used to create fake news. A crucial factor for fake news to go viral on social media is that users share such content. Here, we aim to shed light on the sharing behavior of users across human-generated vs. AI-generated fake news. Specifically, we study: (1) What is the perceived veracity of human-generated fake news vs. AI-generated fake news? (2) What is the user’s willingness to share human-generated fake news vs. AI-generated fake news on social media? (3) What socio-economic characteristics let users fall for AI-generated fake news? To this end, we conducted a pre-registered, online experiment with N= 988 subjects and 20 fake news from the COVID-19 pandemic generated by GPT-4 vs. humans. Our findings show that AI-generated fake news is perceived as less accurate than human-generated fake news, but both tend to be shared equally. Further, several socio-economic factors explain who falls for AI-generated fake news.
Artificial Intelligence in Management
The 2022 Russian invasion of Ukraine was accompanied by a large-scale, pro-Russian propaganda campaign on social media. However, the strategy behind the dissemination of propaganda has remained unclear, particularly how the online discourse was strategically shaped by the propagandists’ community. Here, we analyze the strategy of the Twitter community using an inverse reinforcement learning (IRL) approach. Specifically, IRL allows us to model online behavior as a Markov decision process, where the goal is to infer the underlying reward structure that guides propagandists when interacting with users with a supporting or opposing stance toward the invasion. Thereby, we aim to understand empirically whether and how between-user interactions are strategically used to promote the proliferation of Russian propaganda. For this, we leverage a large-scale dataset with 349,455 posts with pro-Russian propaganda from 132,131 users. We show that bots and humans follow a different strategy: bots respond predominantly to pro-invasion messages, suggesting that they seek to drive virality; while messages indicating opposition primarily elicit responses from humans, suggesting that they tend to engage in critical discussions. To the best of our knowledge, this is the first study analyzing the strategy behind propaganda from the 2022 Russian invasion of Ukraine through the lens of IRL.
Artificial Intelligence in Management
Artificial Intelligence in Management
Online hate speech is responsible for violent attacks such as, e.g., the Pittsburgh synagogue shooting in 2018, thereby posing a significant threat to vulnerable groups and society in general. However, little is known about what makes hate speech on social media go viral. In this paper, we collect N = 25,219 cascades with 65,946 retweets from X (formerly known as Twitter) and classify them as hateful vs. normal. Using a generalized linear regression, we then estimate differences in the spread of hateful vs. normal content based on author and content variables. We thereby identify important determinants that explain differences in the spreading of hateful vs. normal content. For example, hateful content authored by verified users is disproportionally more likely to go viral than hateful content from non-verified ones: hateful content from a verified user (as opposed to normal content) has a 3.5 times larger cascade size, a 3.2 times longer cascade lifetime, and a 1.2 times larger structural virality. Altogether, we offer novel insights into the virality of hate speech on social media.
Artificial Intelligence in Management
Artificial Intelligence in Management
Algorithmic profiling is increasingly used in the public sector with the hope of allocating limited public resources more effectively and objectively. One example is the prediction-based profiling of job seekers to guide the allocation of support measures by public employment services. However, empirical evaluations of potential side-effects such as unintended discrimination and fairness concerns are rare in this context. We systematically compare and evaluate statistical models for predicting job seekers’ risk of becoming long-term unemployed concerning subgroup prediction performance, fairness metrics, and vulnerabilities to data analysis decisions. Focusing on Germany as a use case, we evaluate profiling models under realistic conditions using large-scale administrative data. We show that despite achieving high prediction performance on average, profiling models can be considerably less accurate for vulnerable social subgroups. In this setting, different classification policies can have very different fairness implications. We therefore call for rigorous auditing processes before such models are put to practice.
Solar energy is an environmentally friendly energy source. Identifying suitable rooftops for solar panel installation contributes to not only sustainable energy plans but also carbon neutrality goals. Aerial imagery, bolstered by its growing availability, is a cost-effective data source for rooftop solar potential assessment at large scale. Existing studies generally do not take roof superstructures into account when determining how many solar panels can be installed. This procedure will lead to an overestimation of solar potential. Only several works have considered this issue, but none have devised a network that can simultaneously learn roof orientations and roof superstructures. Therefore, we devise SolarNet+, a novel framework to improve the precision of rooftop solar potential estimation. After implementing SolarNet+ on a benchmark dataset, we find that SolarNet+ outperforms other state-of-the-art approaches in both tasks — roof orientations and roof superstructure segmentation. Moreover, the SolarNet+ framework enables rooftop solar estimation at large-scale applications for investigating the correlation between urban rooftop solar potential and various local climate zone (LCZ) types. The results in the city of Brussels reveal that three specific LCZ urban types exhibit the highest rooftop solar potential efficiency: compact highrise (LCZ1), compact midrise (LCZ2), and heavy industry (LCZ10). The annual photovoltaic potential for these LCZ types is reported as 10.56 , 11.77 , and 10.70 , respectively.
Over the last years, studies using artificial intelligence (AI) for the detection and prediction of diseases have increased and also concentrated more and more on vulnerable groups of individuals, such as infants. The release of ChatGPT demonstrated the potential of large language models (LLMs) and heralded a new era of AI with manifold application possibilities. However, the impact of this new technology on medical research cannot be fully estimated yet. In this work, we therefore aimed to summarise the most recent pre-ChatGPT developments in the field of automated detection and prediction of diseases and disease status in infants, i.e., within the first 12 months of life. For this, we systematically searched the scientific databases PubMed and IEEE Xplore for original articles published within the last five years preceding the release of ChatGPT (2018–2022). The search revealed 927 articles; a final number of 154 articles was included for review. First of all, we examined research activity over time. Then, we analysed the articles from 2022 for medical conditions, data types, tasks, AI approaches, and reported model performance. A clear trend of increasing research activity over time could be observed. The most recently published articles focused on medical conditions of twelve different ICD-11 categories; “certain conditions originating in the perinatal period” was the most frequently addressed disease category. AI models were trained with a variety of data types, among which clinical and demographic information and laboratory data were most frequently exploited. The most frequently performed tasks aimed to detect present diseases, followed by the prediction of diseases and disease status at a later point in development. Deep neural networks turned out as the most popular AI approach, even though traditional methods, such as random forests and support vector machines, still play a role—presumably due to their explainability or better suitability when the amount of data is limited. Finally, the reported performances in many of the reviewed articles suggest that AI has the potential to assist in diagnostic procedures for infants in the near future. LLMs will boost developments in this field in the upcoming years.
Self-supervised learning guided by masked image modeling, such as masked autoencoder (MAE), has attracted wide attention for pretraining vision transformers in remote sensing. However, MAE tends to excessively focus on pixel details, limiting the model’s capacity for semantic understanding, particularly for noisy synthetic aperture radar (SAR) images. In this article, we explore spectral and spatial remote sensing image features as improved MAE-reconstruction targets. We first conduct a study on reconstructing various image features, all performing comparably well or better than raw pixels. Based on such observations, we propose feature guided MAE (FG-MAE): reconstructing a combination of histograms of oriented gradients (HOG) and normalized difference indices (NDI) for multispectral images, and reconstructing HOG for SAR images. Experimental results on three downstream tasks illustrate the effectiveness of FG-MAE with a particular boost for SAR imagery (e.g., up to 5% better than MAE on EuroSAT-SAR). Furthermore, we demonstrate the well-inherited scalability of FG-MAE and release a first series of pretrained vision transformers for medium-resolution SAR and multispectral images.
Ocean front is one typical geophysical phenomenon acting as oases in the ocean for fishes and marine mammals. Accurate ocean-front prediction is critical for fishery and navigation safety. However, the formation and evolution of ocean fronts are inherently nonlinear and are influenced by various factors such as ocean currents, wind fields, and temperature changes, making ocean-front prediction a considerable challenge. This study proposes a temporal-sensitive network named Attention-ConvNet to address this challenge. Ocean fronts exhibit significant multiscale characteristics, requiring analysis and prediction across various temporal and spatial scales. The proposed network designs a hierarchical attention mechanism (HAM) that efficiently prioritizes relevant spatial and temporal information to meet the specific requirement. What is more, the proposed network uses a complex hierarchical branching convolutional network (HBCNet) architecture, which allows our network to leverage the complementary strengths of spatial and temporal information, effectively capturing the dynamic and complex variations in ocean fronts. In general, the network prioritizes and focuses on the most relevant information of front dynamics, which ensures its ability to effectively predict the ocean front. External experiments demonstrate that our network significantly outperforms conventional methods, confirming its capability for precise ocean-front prediction.
Monitoring land changes triggered by mining activities is crucial for industrial control, environmental management, and regulatory compliance, yet it poses significant challenges due to the vast and often remote locations of mining sites. Remote sensing technologies have increasingly become indispensable to detect and analyze these changes over time. We thus introduce MineNetCD, a comprehensive benchmark designed for global mining change detection using remote sensing imagery. The benchmark comprises three key contributions. First, we establish a global mining change detection dataset featuring more than 70k paired patches of bitemporal high-resolution remote sensing images and pixel-level annotations from 100 mining sites worldwide. Second, we develop a novel baseline model based on a change-aware fast Fourier transform (ChangeFFT) module, which enhances various backbones by leveraging essential spectrum components within features in the frequency domain and capturing the channelwise correlation of bitemporal feature differences to learn change-aware representations. Third, we construct a unified change detection (UCD) framework that currently integrates 20 change detection methods. This framework is designed for streamlined and efficient processing, using the cloud platform hosted by HuggingFace. Extensive experiments have been conducted to demonstrate the superiority of the proposed baseline model compared with 19 state-of-the-art change detection approaches. Empirical studies on modularized backbones comprehensively confirm the efficacy of different representation learners on change detection. This benchmark represents significant advancements in the field of remote sensing and change detection, providing a robust resource for future research and applications in global mining monitoring.
Registering pre-operative modalities, such as magnetic resonance imaging or computed tomography, to ultrasound images is crucial for guiding clinicians during surgeries and biopsies. Recently, deep-learning approaches have been proposed to increase the speed and accuracy of this registration problem. However, all of these approaches need expensive supervision from the ultrasound domain. In this work, we propose a multitask generative framework that needs weak supervision only from the pre-operative imaging domain during training. To perform a deformable registration, the proposed framework translates a magnetic resonance image to the ultrasound domain while preserving the structural content. To demonstrate the efficacy of the proposed method, we tackle the registration problem of pre-operative 3D MR to transrectal ultrasonography images as necessary for targeted prostate biopsies. We use an in-house dataset of 600 patients, divided into 540 for training, 30 for validation, and the remaining for testing. An expert manually segmented the prostate in both modalities for validation and test sets to assess the performance of our framework. The proposed framework achieves a 3.58 mm target registration error on the expert-selected landmarks, 89.2% in the Dice score, and 1.81 mm 95th percentile Hausdorff distance on the prostate masks in the test set. Our experiments demonstrate that the proposed generative model successfully translates magnetic resonance images into the ultrasound domain. The translated image contains the structural content and fine details due to an ultrasound-specific two-path design of the generative model. The proposed framework enables training learning-based registration methods while only weak supervision from the pre-operative domain is available.
Computer Aided Medical Procedures & Augmented Reality
Metal oxide sensor-based electronic nose (E-Nose) technology provides an easy to use method for breath analysis by detection of volatile organic compound (VOC)-induced changes of electrical conductivity. Resulting signal patterns are then analyzed by machine learning (ML) algorithms. This study aimed to establish breath analysis by E-Nose technology as a diagnostic tool for severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2) pneumonia within a multi-analyst experiment. Breath samples of 126 subjects with (n = 63) or without SARS-CoV-2 pneumonia (n = 63) were collected using the ReCIVA® Breath Sampler, enriched and stored on Tenax sorption tubes, and analyzed using an E-Nose unit with 10 sensors. ML approaches were applied by three independent data analyst teams and included a wide range of classifiers, hyperparameters, training modes, and subsets of training data. Within the multi-analyst experiment, all teams successfully classified individuals as infected or uninfected with an averaged area under the curve (AUC) larger than 90% and misclassification error lower than 19%, and identified the same sensor as most relevant to classification success. This new method using VOC enrichment and E-Nose analysis combined with ML can yield results similar to polymerase chain reaction (PCR) detection and superior to point-of-care (POC) antigen testing. Reducing the sensor set to the most relevant sensor may prove interesting for developing targeted POC testing.
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Many physical, chemical and biological systems have an inherent discrete spatial structure that strongly influences their dynamical behaviour. Similar remarks apply to internal or external noise. In this paper we study the combined effect of spatial discretization and stochastic perturbations on travelling waves in the Nagumo equation, which is a prototypical model for bistable reaction-diffusion partial differential equations (PDEs). We prove that under suitable parameter conditions, various discrete-stochastic variants of the Nagumo equation have solutions, which stay close on long time scales to the classical monotone Nagumo front with high probability if the noise covariance and spatial discretization are sufficiently small.
In our recent paper in this journal, (‘Digital Duplicates and the Scarcity Problem: Might AI Make Us Less Scarce and Therefore Less Valuable?’’, Danaher & Nyholm (2024)), John Danaher and I discussed the possibility of creating digital duplicates of particular people (e.g. by means of creating fine-tuned language models whose outputs sound like those of a particular person). We were specifically interested in how this might be seen as affecting the value of particular people as unique individuals and as scarce resources…
Feature attribution methods attempt to explain neural network predictions by identifying relevant features. However, establishing a cohesive framework for assessing feature attribution remains a challenge. There are several views through which we can evaluate attributions. One principal lens is to observe the effect of perturbing attributed features on the model’s behavior (i.e., faithfulness). While providing useful insights, existing faithfulness evaluations suffer from shortcomings that we reveal in this paper. In this work, we propose two new perspectives within the faithfulness paradigm that reveal intuitive properties: soundness and completeness. Soundness assesses the degree to which attributed features are truly predictive features, while completeness examines how well the resulting attribution reveals all the predictive features. The two perspectives are based on a firm mathematical foundation and provide quantitative metrics that are computable through efficient algorithms. We apply these metrics to mainstream attribution methods, offering a novel lens through which to analyze and compare feature attribution methods.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Online hate speech poses a serious threat to individual well-being and societal cohesion. A promising solution to curb online hate speech is counterspeech. Counterspeech is aimed at encouraging users to reconsider hateful posts by direct replies. However, current methods lack scalability due to the need for human intervention or fail to adapt to the specific context of the post. A potential remedy is the use of generative AI, specifically large language models (LLMs), to write tailored counterspeech messages. In this paper, we analyze whether contextualized counterspeech generated by state-of-the-art LLMs is effective in curbing online hate speech. To do so, we conducted a large-scale, pre-registered field experiment (N=2,664) on the social media platform Twitter/X. Our experiment followed a 2x2 between-subjects design and, additionally, a control condition with no counterspeech. On the one hand, users posting hateful content on Twitter/X were randomly assigned to receive either (a) contextualized counterspeech or (b) non-contextualized counterspeech. Here, the former is generated through LLMs, while the latter relies on predefined, generic messages. On the other hand, we tested two counterspeech strategies: (a) promoting empathy and (b) warning about the consequences of online misbehavior. We then measured whether users deleted their initial hateful posts and whether their behavior changed after the counterspeech intervention (e.g., whether users adopted a less toxic language). We find that non-contextualized counterspeech employing a warning-of-consequence strategy significantly reduces online hate speech. However, contextualized counterspeech generated by LLMs proves ineffective and may even backfire.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Multimodal Large Language Models (MLLMs) have significantly advanced visual tasks by integrating visual representations into large language models (LLMs). The textual modality, inherited from LLMs, equips MLLMs with abilities like instruction following and in-context learning. In contrast, the visual modality enhances performance in downstream tasks by leveraging rich semantic content, spatial information, and grounding capabilities. These intrinsic modalities work synergistically across various visual tasks. Our research initially reveals a persistent imbalance between these modalities, with text often dominating output generation during visual instruction tuning. This imbalance occurs when using both full fine-tuning and parameter-efficient fine-tuning (PEFT) methods. We then found that re-balancing these modalities can significantly reduce the number of trainable parameters required, inspiring a direction for further optimizing visual instruction tuning. We introduce Modality Linear Representation-Steering (MoReS) to achieve the goal. MoReS effectively re-balances the intrinsic modalities throughout the model, where the key idea is to steer visual representations through linear transformations in the visual subspace across each model layer. To validate our solution, we composed LLaVA Steering, a suite of models integrated with the proposed MoReS method. Evaluation results show that the composed LLaVA Steering models require, on average, 500 times fewer trainable parameters than LoRA needs while still achieving comparable performance across three visual benchmarks and eight visual question-answering tasks. Last, we present the LLaVA Steering Factory, an in-house developed platform that enables researchers to quickly customize various MLLMs with component-based architecture for seamlessly integrating state-of-the-art models, and evaluate their intrinsic modality imbalance.
Meningeal lymphatic vessels (MLVs) are responsible for the drainage of waste products from the human brain. An impairment in their functionality has been associated with aging as well as brain disorders like multiple sclerosis and Alzheimer’s disease. However, MLVs have only recently been described for the first time in magnetic resonance imaging (MRI), and their ramified structure renders manual segmentation particularly difficult. Further, as there is no consistent notion of their appearance, human-annotated MLV structures contain a high inter-rater variability that most automatic segmentation methods cannot take into account. In this work, we propose a new rater-aware training scheme for the popular nnU-Net model, and we explore rater-based ensembling strategies for accurate and consistent segmentation of MLVs. This enables us to boost nnU-Net’s performance while obtaining explicit predictions in different annotation styles and a rater-based uncertainty estimation. Our final model, MLV2-Net, achieves a Dice similarity coefficient of 0.806 with respect to the human reference standard. The model further matches the human inter-rater reliability and replicates age-related associations with MLV volume.
Fabian Bongratz
Artificial Intelligence in Medical Imaging
Finding correspondences between 3D shapes is an important and long-standing problem in computer vision, graphics and beyond. While approaches based on machine learning dominate modern 3D shape matching, almost all existing (learning-based) methods require that at least one of the involved shapes is complete. In contrast, the most challenging and arguably most practically relevant setting of matching partially observed shapes, is currently underexplored. One important factor is that existing datasets contain only a small number of shapes (typically below 100), which are unable to serve data-hungry machine learning approaches, particularly in the unsupervised regime. In addition, the type of partiality present in existing datasets is often artificial and far from realistic. To address these limitations and to encourage research on these relevant settings, we provide a generic and flexible framework for the procedural generation of challenging partial shape matching scenarios. Our framework allows for a virtually infinite generation of partial shape matching instances from a finite set of shapes with complete geometry. Further, we manually create cross-dataset correspondences between seven existing (complete geometry) shape matching datasets, leading to a total of 2543 shapes. Based on this, we propose several challenging partial benchmark settings, for which we evaluate respective state-of-the-art methods as baselines.
Computer Aided Medical Procedures & Augmented Reality
Deep neural network ensembles are powerful tools for uncertainty quantification, which have recently been re-interpreted from a Bayesian perspective. However, current methods inadequately leverage second-order information of the loss landscape, despite the recent availability of efficient Hessian approximations. We propose a novel approximate Bayesian inference method that modifies deep ensembles to incorporate Stein Variational Newton updates. Our approach uniquely integrates scalable modern Hessian approximations, achieving faster convergence and more accurate posterior distribution approximations. We validate the effectiveness of our method on diverse regression and classification tasks, demonstrating superior performance with a significantly reduced number of training epochs compared to existing ensemble-based methods, while enhancing uncertainty quantification and robustness against overfitting.
Recent AI advances have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural, sequence, alignment, and binding site data. Using the ImageBind framework, OneProt aligns the latent spaces of modality encoders along protein sequences. It demonstrates strong performance in retrieval tasks and surpasses state-of-the-art methods in various downstream tasks, including metal ion binding classification, gene-ontology annotation, and enzyme function prediction. This work expands multi-modal capabilities in protein models, paving the way for applications in drug discovery, biocatalytic reaction planning, and protein engineering.
We consider high-dimensional estimation problems where the number of parameters diverges with the sample size. General conditions are established for consistency, uniqueness, and asymptotic normality in both unpenalized and penalized estimation settings. The conditions are weak and accommodate a broad class of estimation problems, including ones with non-convex and group structured penalties. The wide applicability of the results is illustrated through diverse examples, including generalized linear models, multi-sample inference, and stepwise estimation procedures.
Computational Statistics & Data Science
This study investigates the linguistic understanding of Large Language Models (LLMs) regarding signifier (form) and signified (meaning) by distinguishing two LLM evaluation paradigms: psycholinguistic and neurolinguistic. Traditional psycholinguistic evaluations often reflect statistical biases that may misrepresent LLMs’ true linguistic capabilities. We introduce a neurolinguistic approach, utilizing a novel method that combines minimal pair and diagnostic probing to analyze activation patterns across model layers. This method allows for a detailed examination of how LLMs represent form and meaning, and whether these representations are consistent across languages. Our contributions are three-fold: (1) We compare neurolinguistic and psycholinguistic methods, revealing distinct patterns in LLM assessment; (2) We demonstrate that LLMs exhibit higher competence in form compared to meaning, with the latter largely correlated to the former; (3) We present new conceptual minimal pair datasets for Chinese (COMPS-ZH) and German (COMPS-DE), complementing existing English datasets.
What mechanisms underlie linguistic generalization in large language models (LLMs)? This question has attracted considerable attention, with most studies analyzing the extent to which the language skills of LLMs resemble rules. As of yet, it is not known whether linguistic generalization in LLMs could equally well be explained as the result of analogical processes, which can be formalized as similarity operations on stored exemplars. A key shortcoming of prior research is its focus on linguistic phenomena with a high degree of regularity, for which rule-based and analogical approaches make the same predictions. Here, we instead examine derivational morphology, specifically English adjective nominalization, which displays notable variability. We introduce a new method for investigating linguistic generalization in LLMs: focusing on GPT-J, we fit cognitive models that instantiate rule-based and analogical learning to the LLM training data and compare their predictions on a set of nonce adjectives with those of the LLM, allowing us to draw direct conclusions regarding underlying mechanisms. As expected, rule-based and analogical models explain the predictions of GPT-J equally well for adjectives with regular nominalization patterns. However, for adjectives with variable nominalization patterns, the analogical model provides a much better match. Furthermore, GPT-J’s behavior is sensitive to the individual word frequencies, even for regular forms, a behavior that is consistent with an analogical account of regular forms but not a rule-based one. These findings refute the hypothesis that GPT-J’s linguistic generalization on adjective nominalization involves rules, suggesting similarity operations on stored exemplars as the underlying mechanism. Overall, our study suggests that analogical processes play a bigger role in the linguistic generalization of LLMs than previously thought.
A common challenge in continual learning (CL) is catastrophic forgetting, where the performance on old tasks drops after new, additional tasks are learned. In this paper, we propose a novel framework called ReCL to slow down forgetting in CL. Our framework exploits an implicit bias of gradient-based neural networks due to which these converge to margin maximization points. Such convergence points allow us to reconstruct old data from previous tasks, which we then combine with the current training data. Our framework is flexible and can be applied on top of existing, state-of-the-art CL methods to slow down forgetting. We further demonstrate the performance gain from our framework across a large series of experiments, including different CL scenarios (class incremental, domain incremental, task incremental learning) different datasets (MNIST, CIFAR10), and different network architectures. Across all experiments, we find large performance gains through ReCL. To the best of our knowledge, our framework is the first to address catastrophic forgetting by leveraging models in CL as their own memory buffers.
Artificial Intelligence in Management
Artificial Intelligence in Management
The training of modern machine learning models often consists in solving high-dimensional non-convex optimisation problems that are subject to large-scale data. In this context, momentum-based stochastic optimisation algorithms have become particularly widespread. The stochasticity arises from data subsampling which reduces computational cost. Both, momentum and stochasticity help the algorithm to converge globally. In this work, we propose and analyse a continuous-time model for stochastic gradient descent with momentum. This model is a piecewise-deterministic Markov process that represents the optimiser by an underdamped dynamical system and the data subsampling through a stochastic switching. We investigate longtime limits, the subsampling-to-no-subsampling limit, and the momentum-to-no-momentum limit. We are particularly interested in the case of reducing the momentum over time. Under convexity assumptions, we show convergence of our dynamical system to the global minimiser when reducing momentum over time and letting the subsampling rate go to infinity. We then propose a stable, symplectic discretisation scheme to construct an algorithm from our continuous-time dynamical system. In experiments, we study our scheme in convex and non-convex test problems. Additionally, we train a convolutional neural network in an image classification problem. Our algorithm {attains} competitive results compared to stochastic gradient descent with momentum.
Applied Numerical Analysis
Increasingly frequent publications in the literature report voice quality differences between depressed patients and controls. Here, we examine the possibility of using voice analysis as an early warning signal for the development of emotion disturbances in young adults. As part of a major interdisciplinary European research project in four countries (ECoWeB), examining the effects of web-based prevention programs to reduce the risk for depression in young adults, we analyzed a large number of acoustic voice characteristics in vocal reports of emotions experienced by the participants on a specific day. We were able to identify a number of significant differences in acoustic cues, particularly with respect to the energy distribution in the voice spectrum, encouraging further research efforts to develop promising non-obtrusive risk indicators in the normal speaking voice. This is particularly important in the case of young adults who are less likely to exhibit standard risk factors for depression such as negative life experiences.
Differential privacy (DP) is a widely used approach for mitigating privacy risks when training machine learning models on sensitive data. DP mechanisms add noise during training to limit the risk of information leakage. The scale of the added noise is critical, as it determines the trade-off between privacy and utility. The standard practice is to select the noise scale to satisfy a given privacy budget ε. This privacy budget is in turn interpreted in terms of operational attack risks, such as accuracy, sensitivity, and specificity of inference attacks aimed to recover information about the training data records. We show that first calibrating the noise scale to a privacy budget ε, and then translating {epsilon} to attack risk leads to overly conservative risk assessments and unnecessarily low utility. Instead, we propose methods to directly calibrate the noise scale to a desired attack risk level, bypassing the step of choosing ε. For a given notion of attack risk, our approach significantly decreases noise scale, leading to increased utility at the same level of privacy. We empirically demonstrate that calibrating noise to attack sensitivity/specificity, rather than ε, when training privacy-preserving ML models substantially improves model accuracy for the same risk level. Our work provides a principled and practical way to improve the utility of privacy-preserving ML without compromising on privacy.
Georgios Kaissis
Dr.
* Former Member
Understanding dynamic 3D scenes is fundamental for various applications, including extended reality (XR) and autonomous driving. Effectively integrating semantic information into 3D reconstruction enables holistic representation that opens opportunities for immersive and interactive applications. We introduce SADG, Segment Any Dynamic Gaussian Without Object Trackers, a novel approach that combines dynamic Gaussian Splatting representation and semantic information without reliance on object IDs. In contrast to existing works, we do not rely on supervision based on object identities to enable consistent segmentation of dynamic 3D objects. To this end, we propose to learn semantically-aware features by leveraging masks generated from the Segment Anything Model (SAM) and utilizing our novel contrastive learning objective based on hard pixel mining. The learned Gaussian features can be effectively clustered without further post-processing. This enables fast computation for further object-level editing, such as object removal, composition, and style transfer by manipulating the Gaussians in the scene. We further extend several dynamic novel-view datasets with segmentation benchmarks to enable testing of learned feature fields from unseen viewpoints. We evaluate SADG on proposed benchmarks and demonstrate the superior performance of our approach in segmenting objects within dynamic scenes along with its effectiveness for further downstream editing tasks.
Computer Vision & Artificial Intelligence
Automatically and rapidly understanding Earth’s surface is fundamental to our grasp of the living environment and informed decision-making. This underscores the need for a unified system with comprehensive capabilities in analyzing Earth’s surface to address a wide range of human needs. The emergence of multimodal large language models (MLLMs) has great potential in boosting the efficiency and convenience of intelligent Earth observation. These models can engage in human-like conversations, serve as unified platforms for understanding images, follow diverse instructions, and provide insightful feedbacks. In this study, we introduce LHRS-Bot-Nova, an MLLM specialized in understanding remote sensing (RS) images, designed to expertly perform a wide range of RS understanding tasks aligned with human instructions. LHRS-Bot-Nova features an enhanced vision encoder and a novel bridge layer, enabling efficient visual compression and better language-vision alignment. To further enhance RS-oriented vision-language alignment, we propose a large-scale RS image-caption dataset, generated through feature-guided image recaptioning. Additionally, we introduce an instruction dataset specifically designed to improve spatial recognition abilities. Extensive experiments demonstrate superior performance of LHRS-Bot-Nova across various RS image understanding tasks. We also evaluate different MLLM performances in complex RS perception and instruction following using a complicated multi-choice question evaluation benchmark, providing a reliable guide for future model selection and improvement.
In this paper we propose MA-DV2F: Multi-Agent Dynamic Velocity Vector Field. It is a framework for simultaneously controlling a group of vehicles in challenging environments. DV2F is generated for each vehicle independently and provides a map of reference orientation and speed that a vehicle must attain at any point on the navigation grid such that it safely reaches its target. The field is dynamically updated depending on the speed and proximity of the ego-vehicle to other agents. This dynamic adaptation of the velocity vector field allows prevention of imminent collisions. Experimental results show that MA-DV2F outperforms concurrent methods in terms of safety, computational efficiency and accuracy in reaching the target when scaling to a large number of vehicles.
Curriculum learning (CL) describes a machine learning training strategy in which samples are gradually introduced into the training process based on their difficulty. Despite a partially contradictory body of evidence in the literature, CL finds popularity in deep learning research due to its promise of leveraging human-inspired curricula to achieve higher model performance. Yet, the subjectivity and biases that follow any necessary definition of difficulty, especially for those found in orderings derived from models or training statistics, have rarely been investigated. To shed more light on the underlying unanswered questions, we conduct an extensive study on the robustness and similarity of the most common scoring functions for sample difficulty estimation, as well as their potential benefits in CL, using the popular benchmark dataset CIFAR-10 and the acoustic scene classification task from the DCASE2020 challenge as representatives of computer vision and computer audition, respectively. We report a strong dependence of scoring functions on the training setting, including randomness, which can partly be mitigated through ensemble scoring. While we do not find a general advantage of CL over uniform sampling, we observe that the ordering in which data is presented for CL-based training plays an important role in model performance. Furthermore, we find that the robustness of scoring functions across random seeds positively correlates with CL performance. Finally, we uncover that models trained with different CL strategies complement each other by boosting predictive power through late fusion, likely due to differences in the learnt concepts. Alongside our findings, we release the aucurriculum toolkit (this https URL), implementing sample difficulty and CL-based training in a modular fashion.
This work introduces the key operating principles for autrainer, our new deep learning training framework for computer audition tasks. autrainer is a PyTorch-based toolkit that allows for rapid, reproducible, and easily extensible training on a variety of different computer audition tasks. Concretely, autrainer offers low-code training and supports a wide range of neural networks as well as preprocessing routines. In this work, we present an overview of its inner workings and key capabilities.
The continuous development of artificial intelligence (AI) theory has propelled this field to unprecedented heights, owing to the relentless efforts of scholars and researchers. In the medical realm, AI takes a pivotal role, leveraging robust machine learning (ML) algorithms. AI technology in medical imaging aids physicians in X-ray, computed tomography (CT) scans, and magnetic resonance imaging (MRI) diagnoses, conducts pattern recognition and disease prediction based on acoustic data, delivers prognoses on disease types and developmental trends for patients, and employs intelligent health management wearable devices with human-computer interaction technology to name but a few. While these well-established applications have significantly assisted in medical field diagnoses, clinical decision-making, and management, collaboration between the medical and AI sectors faces an urgent challenge: How to substantiate the reliability of decision-making? The underlying issue stems from the conflict between the demand for accountability and result transparency in medical scenarios and the black-box model traits of AI. This article reviews recent research grounded in explainable artificial intelligence (XAI), with an emphasis on medical practices within the visual, audio, and multimodal perspectives. We endeavour to categorise and synthesise these practices, aiming to provide support and guidance for future researchers and healthcare professionals.
Employing pre-trained Large Language Models (LLMs) has become the de facto standard in Natural Language Processing (NLP) despite their extensive data requirements. Motivated by the recent surge in research focused on training LLMs with limited data, particularly in low-resource domains and languages, this paper surveys recent transfer learning approaches to optimize model performance in downstream tasks where data is scarce. We first address initial and continued pre-training strategies to better leverage prior knowledge in unseen domains and languages. We then examine how to maximize the utility of limited data during fine-tuning and few-shot learning. The final section takes a task-specific perspective, reviewing models and methods suited for different levels of data scarcity. Our goal is to provide practitioners with practical guidelines for overcoming the challenges posed by constrained data while also highlighting promising directions for future research.
As LLMs are increasingly integrated into user-facing applications, addressing biases that perpetuate societal inequalities is crucial. While much work has gone into measuring or mitigating biases in these models, fewer studies have investigated their origins. Therefore, this study examines the correlation between gender-occupation bias in pre-training data and their manifestation in LLMs, focusing on the Dolma dataset and the OLMo model. Using zero-shot prompting and token co-occurrence analyses, we explore how biases in training data influence model outputs. Our findings reveal that biases present in pre-training data are amplified in model outputs. The study also examines the effects of prompt types, hyperparameters, and instruction-tuning on bias expression, finding instruction-tuning partially alleviating representational bias while still maintaining overall stereotypical gender associations, whereas hyperparameters and prompting variation have a lesser effect on bias expression. Our research traces bias throughout the LLM development pipeline and underscores the importance of mitigating bias at the pretraining stage.
Computational Linguistics
Digital technologies have long been explored as a complement to standard procedure in mental health research and practice, ranging from the management of electronic health records to app-based interventions. The recent emergence of large language models (LLMs), both proprietary and open-source ones, represents a major new opportunity on that front. Yet there is still a divide between the community developing LLMs and the one which may benefit from them, thus hindering the beneficial translation of the technology into clinical use. This divide largely stems from the lack of a common language and understanding regarding the technology’s inner workings, capabilities, and risks. Our narrative review attempts to bridge this gap by providing intuitive explanations behind the basic concepts related to contemporary LLMs.
Facade semantic segmentation is a long-standing challenge in photogrammetry and computer vision. Although the last decades have witnessed the influx of facade segmentation methods, there is a lack of comprehensive facade classes and data covering the architectural variability. In ZAHA, we introduce Level of Facade Generalization (LoFG), novel hierarchical facade classes designed based on international urban modeling standards, ensuring compatibility with real-world challenging classes and uniform methods’ comparison. Realizing the LoFG, we present to date the largest semantic 3D facade segmentation dataset, providing 601 million annotated points at five and 15 classes of LoFG2 and LoFG3, respectively. Moreover, we analyze the performance of baseline semantic segmentation methods on our introduced LoFG classes and data, complementing it with a discussion on the unresolved challenges for facade segmentation. We firmly believe that ZAHA shall facilitate further development of 3D facade semantic segmentation methods, enabling robust segmentation indispensable in creating urban digital twins.
Computer Aided Medical Procedures & Augmented Reality
We present HI-SLAM2, a geometry-aware Gaussian SLAM system that achieves fast and accurate monocular scene reconstruction using only RGB input. Existing Neural SLAM or 3DGS-based SLAM methods often trade off between rendering quality and geometry accuracy, our research demonstrates that both can be achieved simultaneously with RGB input alone. The key idea of our approach is to enhance the ability for geometry estimation by combining easy-to-obtain monocular priors with learning-based dense SLAM, and then using 3D Gaussian splatting as our core map representation to efficiently model the scene. Upon loop closure, our method ensures on-the-fly global consistency through efficient pose graph bundle adjustment and instant map updates by explicitly deforming the 3D Gaussian units based on anchored keyframe updates. Furthermore, we introduce a grid-based scale alignment strategy to maintain improved scale consistency in prior depths for finer depth details. Through extensive experiments on Replica, ScanNet, and ScanNet++, we demonstrate significant improvements over existing Neural SLAM methods and even surpass RGB-D-based methods in both reconstruction and rendering quality.
AI audits are a key mechanism for responsible AI governance. AI audits have been proposed in a variety of laws and regulations standardized frameworks and guidelines for industry best practices as a mechanism to facilitate public trust and accountability for AI system developers and deployers. Though AI auditing for the purpose of compliance and assurance with normative requirements currently lacks defined norms and standardized practices, some systematic assurance AI audit methodologies are emerging that are modelled on financial auditing practices. In the spirit of financial audits which aim to uphold trust in the integrity of the proper function of the financial markets for stakeholders, AI audits, on this line of reasoning, aim to provide assurance to their stakeholders about AI organizations’ ability to govern their algorithms in ways that mitigate harms and uphold human values. Against this backdrop, the nature of the auditing industry is currently evolving. Traditional financial auditing practices are becoming increasingly automated by AI and, given the complexity of some AI-systems themselves and the high degree of assurance that they will require, the future of AI auditing itself will foreseeably be automated. This paper makes a first step toward exploring this picture. I argue that current automated auditing trends run the risk of undermining the justificatory plausibility of auditing as an accountability and trust-facilitating mechanism itself. In particular, I suggest that this leads to a continuous desire for verification, in which the epistemic obscurity of auditing assurance – the nature of the judgment provided auditors – increases and the operational capability of audits to achieve their aims decreases.
The Multimodal Sentiment Analysis Challenge (MuSe) 2024 addresses two contemporary multimodal affect and sentiment analysis problems: In the Social Perception Sub-Challenge (MuSe-Perception), participants will predict 16 different social attributes of individuals such as assertiveness, dominance, likability, and sincerity based on the provided audio-visual data. The Cross-Cultural Humor Detection Sub-Challenge (MuSe-Humor) dataset expands upon the Passau Spontaneous Football Coach Humor (Passau-SFCH) dataset, focusing on the detection of spontaneous humor in a cross-lingual and cross-cultural setting. The main objective of MuSe 2024 is to unite a broad audience from various research domains, including multimodal sentiment analysis, audio-visual affective computing, continuous signal processing, and natural language processing. By fostering collaboration and exchange among experts in these fields, the MuSe 2024 endeavors to advance the understanding and application of sentiment analysis and affective computing across multiple modalities. This baseline paper provides details on each sub-challenge and its corresponding dataset, extracted features from each data modality, and discusses challenge baselines. For our baseline system, we make use of a range of Transformers and expert-designed features and train Gated Recurrent Unit (GRU)-Recurrent Neural Network (RNN) models on them, resulting in a competitive baseline system. On the unseen test datasets of the respective sub-challenges, it achieves a mean Pearson’s Correlation Coefficient (ρ) of 0.3573 for MuSe-Perception and an Area Under the Curve (AUC) value of 0.8682 for MuSe-Humor.
Remote sensing projects typically generate large amounts of imagery that can be used to train powerful deep neural networks. However, the amount of labeled images is often small, as remote sensing applications generally require expert labelers. Thus, semi-supervised learning (SSL), i.e., learning with a small pool of labeled and a larger pool of unlabeled data, is particularly useful in this domain. Current SSL approaches generate pseudo-labels from model predictions for unlabeled samples. As the quality of these pseudo-labels is crucial for performance, utilizing additional information to improve pseudo-label quality yields a promising direction. For remote sensing images, geolocation and recording time are generally available and provide a valuable source of information as semantic concepts, such as land cover, are highly dependent on spatiotemporal context, e.g., due to seasonal effects and vegetation zones. In this paper, we propose to exploit spatiotemporal metainformation in SSL to improve the quality of pseudo-labels and, therefore, the final model performance. We show that directly adding the available metadata to the input of the predictor at test time degenerates the prediction quality for metadata outside the spatiotemporal distribution of the training set. Thus, we propose a teacher-student SSL framework where only the teacher network uses metainformation to improve the quality of pseudo-labels on the training set. Correspondingly, our student network benefits from the improved pseudo-labels but does not receive metadata as input, making it invariant to spatiotemporal shifts at test time. Furthermore, we propose methods for encoding and injecting spatiotemporal information into the model and introduce a novel distillation mechanism to enhance the knowledge transfer between teacher and student. Our framework dubbed Spatiotemporal SSL can be easily combined with several state-of-the-art SSL methods, resulting in significant and consistent improvements on the BigEarthNet and EuroSAT benchmarks.
Spatial Artificial Intelligence
Although large language models(LLMs) show amazing capabilities, among various exciting applications discovered for LLMs fall short in other low-resource languages. Besides, most existing methods depend on large-scale dialogue corpora and thus building systems for dialogue generation in a zero-shot scenario remains a considerable challenge. To address this challenge, we propose a novel end-to-end zero-shot dialogue generation model ChatZero based on cross-lingual code-switching method. First, we construct code-switching language and pseudo-target language with placeholders. Then for cross-lingual semantic transfer, we employ unsupervised contrastive learning to minimize the semantics gap of the source language, code-switching language, and pseudo-target language that are mutually positive examples in the high dimensional semantic space. Experiments on the multilingual DailyDialog and DSTC7-AVSD datasets demonstrate that ChatZero can achieve more than 90% of the original performance under the zero-shot case compared to supervised learning, and achieve state-of-the-art performance compared with other baselines.
Self-supervised learning (SSL) has gained prominence due to the increasing availability of unlabeled data and advances in computational efficiency, leading to revolutionized natural language processing with pre-trained language models like BERT and GPT. Representation learning, a core concept in SSL, aims to reduce data dimensionality while preserving meaningful aspects. Conventional SSL methods typically embed data in Euclidean space. However, recent research has revealed that alternative geometries can hold even richer representations, unlocking more meaningful insights from the data. Motivated by this, we propose two novel methods for integrating Hilbert geometry into self-supervised learning for efficient document embedding. First, we present a method directly incorporating Hilbert geometry into the standard Euclidean contrastive learning framework. Additionally, we propose a multi-view hyperbolic contrastive learning framework contrasting both documents and paragraphs. Our findings demonstrate that contrasting only paragraphs, rather than entire documents, can lead to superior efficiency and effectiveness.
Statistical Learning and Data Science
Language-specific evaluation of large language models (LLMs) for multiple-choice question answering (MCQA) is an important means to test their abilities for a multitude of different dimensions. With a data set assembled from questions from the German variant of ‘Who Wants to Be a Millionaire?’ we evaluate a set of German models and ChatGPT concerning factual/commonsense knowledge, syntactic abilities, and logical reasoning, amongst others. We contribute this new MCQA data set, extracted from the show’s episodes and designed to evaluate the ability of models to answer this diverse range of questions. To ensure data quality, we describe our preprocessing, encompassing data cleaning, deduplication, and the creation of stratified splits. Furthermore, we fine-tune a set of German LLMs and prompt ChatGPT to provide baseline results. Our findings reveal that these models achieve (partly) satisfactory performance on questions of lower difficulty levels (≤ 1000 euros). As the difficulty increases, performance steadily declines, highlighting the challenging nature of the later stages of the game. We contribute to the ongoing efforts to advance the capabilities of LLMs in comprehending and answering questions by providing a valuable resource for German MCQA research as well as further insights into the limitations of current LLMs.
Statistical Learning and Data Science
The partial label ranking (PLR) problem is a supervised learning scenario where the learner predicts a ranking with ties of the labels for a given input instance. It generalizes the well-known label ranking (LR) problem, which only allows for strict rankings. So far, pre-vious learning approaches for PLR have primarily adapted LR methods to accommodate ties in predictions. This paper proposes using multi-output regression (MOR) to address the PLR problem by treating ranking positions as multivariate targets, an approach that has received little attention in both LR and PLR. To effectively employ this approach, we introduce several post-hoc layers that convert MOR results into a ranking, potentially including ties. This framework produces a range of learning approaches, which we demonstrate in experimental evaluations to be competitive with the current state-of-the-art PLR methods.
Business processes from many domains like manufacturing, healthcare, or business administration suffer from different amounts of uncertainty concerning the execution of individual activities and their order of occurrence. As long as a process is not entirely serial, i.e., there are no forks or decisions to be made along the process execution, we are - in the absence of exhaustive domain knowledge - confronted with the question whether and in what order activities should be executed or left out for a given case and a desired outcome. As the occurrence or non-occurrence of events has substantial implications regarding process key performance indicators like throughput times or scrap rate, there is ample need for assessing and modeling that process-inherent uncertainty. We propose a novel way of handling the uncertainty by leveraging the probabilistic mechanisms of Bayesian Networks to model processes from the structural and temporal information given in event log data and offer a comprehensive evaluation of uncertainty by modelling cases in their entirety. In a thorough analysis of well-established benchmark datasets, we show that our Process-aware Bayesian Network is capable of answering process queries concerned with any unknown process sequence regarding activities and/or attributes enhancing the explainability of processes. Our method can infer execution probabilities of activities at different stages and can query probabilities of certain process outcomes. The key benefit of the Process-aware Query System over existing approaches is the ability to deliver probabilistic, case-diagnostic information about the execution of activities via Bayesian inference.
Process mining solutions aim to improve performance, save resources, and address bottlenecks in organizations. However, success depends on data quality and availability, and existing analyses often lack diverse data for rigorous testing. To overcome this, we propose an interactive web application tool, extending the GEDI Python framework, which creates event datasets that meet specific (meta-)features. It provides diverse benchmark event data by exploring new regions within the feature space, enhancing the range and quality of process mining analyses. This tool improves evaluation quality and helps uncover correlations between meta-features and metrics, ultimately enhancing solution effectiveness.
The abundance of new approaches in process mining and the diversity of processes in the real-world, raises the question of this thesis: How can we create benchmarks, which reliably measure the impact of event data features on process mining evaluation? Developing benchmarks, that employ comprehensive intentional ED and also consider connections between ED characteristic features, methods, and metrics, will support process miners to evaluate methods more efficiently and reliably.
Photometric bundle adjustment (PBA) is widely used in estimating the camera pose and 3D geometry by assuming a Lambertian world. However, the assumption of photometric consistency is often violated since the non-diffuse reflection is common in real-world environments. The photometric inconsistency significantly affects the reliability of existing PBA methods. To solve this problem, we propose a novel physically-based PBA method. Specifically, we introduce the physically-based weights regarding material, illumination, and light path. These weights distinguish the pixel pairs with different levels of photometric inconsistency. We also design corresponding models for material estimation based on sequential images and illumination estimation based on point clouds. In addition, we establish the first SLAM-related dataset of non-Lambertian scenes with complete ground truth of illumination and material. Extensive experiments demonstrated that our PBA method outperforms existing approaches in accuracy.
Computer Vision & Artificial Intelligence
In minimally invasive endovascular procedures, contrast-enhanced angiography remains the most robust imaging technique. However, it is at the expense of the patient and clinician’s health due to prolonged radiation exposure. As an alternative, interventional ultrasound has notable benefits such as being radiation-free, fast to deploy, and having a small footprint in the operating room. Yet, ultrasound is hard to interpret, and highly prone to artifacts and noise. Additionally, interventional radiologists must undergo extensive training before they become qualified to diagnose and treat patients effectively, leading to a shortage of staff, and a lack of open-source datasets. In this work, we seek to address both problems by introducing a self-supervised deep learning architecture to segment catheters in longitudinal ultrasound images, without demanding any labeled data. The network architecture builds upon AiAReSeg, a segmentation transformer built with the Attention in Attention mechanism, and is capable of learning feature changes across time and space. To facilitate training, we used synthetic ultrasound data based on physics-driven catheter insertion simulations, and translated the data into a unique CT-Ultrasound common domain, CACTUSS, to improve the segmentation performance. We generated ground truth segmentation masks by computing the optical flow between adjacent frames using FlowNet2, and performed thresholding to obtain a binary map estimate. Finally, we validated our model on a test dataset, consisting of unseen synthetic data and images collected from silicon aorta phantoms, thus demonstrating its potential for applications to clinical data in the future.
Computer Aided Medical Procedures & Augmented Reality
Reliable process information, especially regarding trace durations, is crucial for smooth execution. Without it, maintaining a process becomes costly. While many predictive systems aim to identify inefficiencies, they often focus on individual process instances, missing the global perspective. It is essential not only to detect where delays occur but also to pinpoint specific activity transitions causing them. To address this, we propose CC-HIT (Creating Counterfactuals from High-Impact Transitions), which identifies temporal dependencies across the entire process. By focusing on activity transitions, we provide deeper insights into relational impacts, enabling faster resolution of inefficiencies. CC-HIT highlights the most influential transitions on process performance, offering actionable insights for optimization. We validate this method using the BPIC 2020 dataset, demonstrating its effectiveness compared to existing approaches.
Database Systems and Data Mining
Existing techniques for monocular 3D detection have a serious restriction. They tend to perform well only on a limited set of benchmarks, faring well either on ego-centric car views or on traffic camera views, but rarely on both. To encourage progress, this work advocates for an extended evaluation of 3D detection frameworks across different camera perspectives. We make two key contributions. First, we introduce the CARLA Drone dataset, CDrone. Simulating drone views, it substantially expands the diversity of camera perspectives in existing benchmarks. Despite its synthetic nature, CDrone represents a real-world challenge. To show this, we confirm that previous techniques struggle to perform well both on CDrone and a real-world 3D drone dataset. Second, we develop an effective data augmentation pipeline called GroundMix. Its distinguishing element is the use of the ground for creating 3D-consistent augmentation of a training image. GroundMix significantly boosts the detection accuracy of a lightweight one-stage detector. In our expanded evaluation, we achieve the average precision on par with or substantially higher than the previous state of the art across all tested datasets.
Computer Vision & Artificial Intelligence
Computer Vision & Artificial Intelligence
3D scene stylization extends the work of neural style transfer to 3D. A vital challenge in this problem is to maintain the uniformity of the stylized appearance across multiple views. A vast majority of the previous works achieve this by training a 3D model for every stylized image and a set of multi-view images. In contrast, we propose a novel architecture trained on a collection of style images that, at test time, produces real time high-quality stylized novel views. We choose the underlying 3D scene representation for our model as 3D Gaussian splatting. We take the 3D Gaussians and process them using a multi-resolution hash grid and a tiny MLP to obtain stylized views. The MLP is conditioned on different style codes for generalization to different styles during test time. The explicit nature of 3D Gaussians gives us inherent advantages over NeRF-based methods, including geometric consistency and a fast training and rendering regime. This enables our method to be useful for various practical use cases, such as augmented or virtual reality. We demonstrate that our method achieves state-of-the-art performance with superior visual quality on various indoor and outdoor real-world data.
Computer Vision & Artificial Intelligence
Computer Vision & Artificial Intelligence
Computer Vision & Artificial Intelligence
Large language models (LLMs) have recently shown impressive performance on tasks involving reasoning, leading to a lively debate on whether these models possess reasoning capabilities similar to humans. However, despite these successes, the depth of LLMs’ reasoning abilities remains uncertain. This uncertainty partly stems from the predominant focus on task performance, measured through shallow accuracy metrics, rather than a thorough investigation of the models’ reasoning behavior. This paper seeks to address this gap by providing a comprehensive review of studies that go beyond task accuracy, offering deeper insights into the models’ reasoning processes. Furthermore, we survey prevalent methodologies to evaluate the reasoning behavior of LLMs, emphasizing current trends and efforts towards more nuanced reasoning analyses. Our review suggests that LLMs tend to rely on surface-level patterns and correlations in their training data, rather than on sophisticated reasoning abilities. Additionally, we identify the need for further research that delineates the key differences between human and LLM-based reasoning. Through this survey, we aim to shed light on the complex reasoning processes within LLMs.
AI and Computational Linguistics
Multiple choice questions (MCQs) are commonly used to evaluate the capabilities of large language models (LLMs). One common way to evaluate the model response is to rank the candidate answers based on the log probability of the first token prediction. An alternative way is to examine the text output. Prior work has shown that first token probabilities lack robustness to changes in MCQ phrasing, and that first token probabilities do not match text answers for instruction-tuned models. Therefore, in this paper, we investigate the robustness of text answers. We show that the text answers are more robust to question perturbations than the first token probabilities, when the first token answers mismatch the text answers. The difference in robustness increases as the mismatch rate becomes greater. As the mismatch reaches over 50%, the text answer is more robust to option order changes than the debiased first token probabilities using state-of-the-art debiasing methods such as PriDe. Our findings provide further evidence for the benefits of text answer evaluation over first token probability evaluation.
AI and Computational Linguistics
Ultrasound is widely used in medical diagnostics allowing for accessible and powerful imaging but suffers from resolution limitations due to diffraction and the finite aperture of the imaging system, which restricts diagnostic use. The impulse function of an ultrasound imaging system is called the point spread function (PSF), which is convolved with the spatial distribution of reflectors in the image formation process. Recovering high-resolution reflector distributions by removing image distortions induced by the convolution process improves image clarity and detail. Conventionally, deconvolution techniques attempt to rectify the imaging system’s dependent PSF, working directly on the radio-frequency (RF) data. However, RF data is often not readily accessible. Therefore, we introduce a physics-based deconvolution process using a modeled PSF, working directly on the more commonly available B-mode images. By leveraging Implicit Neural Representations (INRs), we learn a continuous mapping from spatial locations to their respective echogenicity values, effectively compensating for the discretized image space. Our contribution consists of a novel methodology for retrieving a continuous echogenicity map directly from a B-mode image through a differentiable physics-based rendering pipeline for ultrasound resolution enhancement. We qualitatively and quantitatively evaluate our approach on synthetic data, demonstrating improvements over traditional methods in metrics such as PSNR and SSIM. Furthermore, we show qualitative enhancements on an ultrasound phantom and an in-vivo acquisition of a carotid artery.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
In radiation therapy (RT), an accurate delineation of the regions of interest (ROI) and organs at risk (OAR) allows for a more targeted irradiation with reduced side effects. The current clinical workflow for combined MR-linear accelerator devices (MR-linacs) requires the acquisition of a planning MR volume (MR-P), in which the ROI and OAR are accurately segmented by the clinical team. These segmentation maps (S-P) are transferred to the MR acquired on the day of the RT fraction (MR-Fx) using registration, followed by time-consuming manual corrections. The goal of this paper is to enable accurate automatic segmentation of MR-Fx using S-P without clinical workflow disruption. We propose a novel UNet-based architecture, CloverNet, that takes as inputs MR-Fx and S-P in two separate encoder branches, whose latent spaces are concatenated in the bottleneck to generate an improved segmentation of MP-Fx. CloverNet improves the absolute Dice Score by 3.73% (relative +4.34%, p<0.001) when compared with conventional 3D UNet. Moreover, we believe this approach is potentially applicable to other longitudinal use cases in which a prior segmentation of the ROI is available.
Generally, the small size of public medical imaging datasets coupled with stringent privacy concerns, hampers the advancement of data-hungry deep learning models in medical imaging. This study addresses these challenges for 3D cardiac MRI images in the short-axis view. We propose Latent Diffusion Models that generate synthetic images conditioned on medical attributes, while ensuring patient privacy through differentially private model training. To our knowledge, this is the first work to apply and quantify differential privacy in 3D medical image generation. We pre-train our models on public data and finetune them with differential privacy on the UK Biobank dataset. Our experiments reveal that pre-training significantly improves model performance, achieving a Fréchet Inception Distance (FID) of 26.77 at ϵ=10, compared to 92.52 for models without pre-training. Additionally, we explore the trade-off between privacy constraints and image quality, investigating how tighter privacy budgets affect output controllability and may lead to degraded performance. Our results demonstrate that proper consideration during training with differential privacy can substantially improve the quality of synthetic cardiac MRI images, but there are still notable challenges in achieving consistent medical realism.
Georgios Kaissis
Dr.
* Former Member
Federated learning enhanced with Differential Privacy (DP) is a powerful privacy-preserving strategy to protect individuals sharing their sensitive data for processing in fields such as medicine and healthcare. Many medical applications, for example magnetic resonance imaging (MRI), rely on complex-valued signal processing techniques for data acquisition and analysis. However, the appropriate application of DP to complex-valued data is still underexplored. To address this issue, from the theoretical side, we introduce the complex-valued Gaussian mechanism, whose behaviour we characterise in terms of f-DP, -DP and Rényi-DP. Moreover, we generalise the fundamental algorithm DP stochastic gradient descent to complex-valued neural networks and present novel complex-valued neural network primitives compatible with DP. Experimentally, we showcase a proof-of-concept by training federated complex-valued neural networks with DP on a real-world task (MRI pulse sequence classification in k-space), yielding excellent utility and privacy. Our results highlight the relevance of combining federated learning with robust privacy-preserving techniques in the MRI context.
Georgios Kaissis
Dr.
* Former Member
Deep learning holds immense promise for aiding radiologists in breast cancer detection. However, achieving optimal model performance is hampered by limitations in availability and sharing of data commonly associated to patient privacy concerns. Such concerns are further exacerbated, as traditional deep learning models can inadvertently leak sensitive training information. This work addresses these challenges exploring and quantifying the utility of privacy-preserving deep learning techniques, concretely, (i) differentially private stochastic gradient descent (DP-SGD) and (ii) fully synthetic training data generated by our proposed malignancy-conditioned generative adversarial network. We assess these methods via downstream malignancy classification of mammography masses using a transformer model. Our experimental results depict that synthetic data augmentation can improve privacy-utility tradeoffs in differentially private model training. Further, model pretraining on synthetic data achieves remarkable performance, which can be further increased with DP-SGD fine-tuning across all privacy guarantees. With this first in-depth exploration of privacy-preserving deep learning in breast imaging, we address current and emerging clinical privacy requirements and pave the way towards the adoption of private high-utility deep diagnostic models.
Georgios Kaissis
Dr.
* Former Member
Surgical data science (SDS) is a field that analyzes patient data before, during, and after surgery to improve surgical outcomes and skills. However, surgical data is scarce, heterogeneous, and complex, which limits the applicability of existing machine learning methods. In this work, we introduce the novel task of future video generation in laparoscopic surgery. This task can augment and enrich the existing surgical data and enable various applications, such as simulation, analysis, and robot-aided surgery. Ultimately, it involves not only understanding the current state of the operation but also accurately predicting the dynamic and often unpredictable nature of surgical procedures. Our proposed method, VISAGE (VIdeo Synthesis using Action Graphs for Surgery), leverages the power of action scene graphs to capture the sequential nature of laparoscopic procedures and utilizes diffusion models to synthesize temporally coherent video sequences. VISAGE predicts the future frames given only a single initial frame, and the action graph triplets. By incorporating domain-specific knowledge through the action graph, VISAGE ensures the generated videos adhere to the expected visual and motion patterns observed in real laparoscopic procedures. The results of our experiments demonstrate high-fidelity video generation for laparoscopy procedures, which enables various applications in SDS.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Image-to-graph transformers can effectively encode image information in graphs but are typically difficult to train and require large annotated datasets. Contrastive learning can increase data efficiency by enhancing feature representations, but existing methods are not applicable to graph labels because they operate on categorical label spaces. In this work, we propose a method enabling supervised contrastive learning for image-to-graph transformers. We introduce two supervised contrastive loss formulations based on graph similarity between label pairs that we approximate using a graph neural network. Our approach avoids tailored data augmentation techniques and can be easily integrated into existing training pipelines. We perform multiple empirical studies showcasing performance improvements across various metrics.
Recent studies have underscored the capabilities of natural imaging foundation models to serve as powerful feature extractors, even in a zero-shot setting for medical imaging data. Most commonly, a shallow multi-layer perceptron (MLP) is appended to the feature extractor to facilitate end-to-end learning and downstream prediction tasks such as classification, thus representing the de facto standard. However, as graph neural networks (GNNs) have become a practicable choice for various tasks in medical research in the recent past, we direct attention to the question of how effective GNNs are compared to MLP prediction heads for the task of 3D medical image classification, proposing them as a potential alternative. In our experiments, we devise a subject-level graph for each volumetric dataset instance. Therein latent representations of all slices in the volume, encoded through a DINOv2 pretrained vision transformer (ViT), constitute the nodes and their respective node features. We use public datasets to compare the classification heads numerically and evaluate various graph construction and graph convolution methods in our experiments. Our findings show enhancements of the GNN in classification performance and substantial improvements in runtime compared to an MLP prediction head. Additional robustness evaluations further validate the promising performance of the GNN, promoting them as a suitable alternative to traditional MLP classification heads.
Interpretability, particularly in terms of human understandable concepts, is essential for building trust in machine learning models for disease classification. However, state-of-the-art image classifiers exhibit limited interpretability, posing a significant barrier to their acceptance in clinical practice. To address this, our work introduces two graph representations of the retinal vasculature, aiming to bridge the gap between high-performance classifiers and human-understandable interpretability concepts in ophthalmology. We use these graphs with the aim of training graph neural networks (GNNs) for disease staging. First, we formally and experimentally show that GNNs can learn known clinical biomarkers. In that, we show that GNNs can learn human interpretable concepts. Next, we train GNNs for disease staging and study how different aggregation strategies lead the GNN to learn more and less human interpretable features. Finally, we propose a visualization for integrated gradients on graphs, which allows us to identify if GNN models have learned human-understandable representations of the data.
Graph-based holistic scene representations facilitate surgical workflow understanding and have recently demonstrated significant success. However, this task is often hindered by the limited availability of densely annotated surgical scene data. In this work, we introduce an end-to-end framework for the generation and optimization of surgical scene graphs on a downstream task. Our approach leverages the flexibility of graph-based spectral clustering and the generalization capability of foundation models to generate unsupervised scene graphs with learnable properties. We reinforce the initial spatial graph with sparse temporal connections using local matches between consecutive frames to predict temporally consistent clusters across a temporal neighborhood. By jointly optimizing the spatiotemporal relations and node features of the dynamic scene graph with the downstream task of phase segmentation, we address the costly and annotation-burdensome task of semantic scene comprehension and scene graph generation in surgical videos using only weak surgical phase labels. Further, by incorporating effective intermediate scene representation disentanglement steps within the pipeline, our solution outperforms the SOTA on the CATARACTS dataset by 8% accuracy and 10% F1 score in surgical workflow recognition.
Computer Aided Medical Procedures & Augmented Reality
Topological accuracy in medical image segmentation is a highly important property for downstream applications such as network analysis and flow modeling in vessels or cell counting. Recently, significant methodological advancements have brought well-founded concepts from algebraic topology to binary segmentation. However, these approaches have been underexplored in multi-class segmentation scenarios, where topological errors are common. We propose a general loss function for topologically faithful multi-class segmentation extending the recent Betti matching concept, which is based on induced matchings of persistence barcodes. We project the N-class segmentation problem to N single-class segmentation tasks, which allows us to use 1-parameter persistent homology, making training of neural networks computationally feasible. We validate our method on a comprehensive set of four medical datasets with highly variant topological characteristics. Our loss formulation significantly enhances topological correctness in cardiac, cell, artery-vein, and Circle of Willis segmentation.
Deep learning (DL) methods typically require large datasets to effectively learn data distributions. However, in the medical field, data is often limited in quantity, and acquiring labeled data can be costly. To mitigate this data scarcity, data augmentation techniques are commonly employed. Among these techniques, generative models play a pivotal role in expanding datasets. However, when it comes to ultrasound (US) imaging, the authenticity of generated data often diminishes due to the oversight of ultrasound physics.
We propose a novel approach to improve the quality of generated US images by introducing a physics-based diffusion model that is specifically designed for this image modality. The proposed model incorporates an US-specific scheduler scheme that mimics the natural behavior of sound wave propagation in ultrasound imaging. Our analysis demonstrates how the proposed method aids in modeling the attenuation dynamics in US imaging. We present both qualitative and quantitative results based on standard generative model metrics, showing that our proposed method results in overall more plausible images.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
In this work, we introduce Progressive Growing of Patch Size, a resource-efficient implicit curriculum learning approach for dense prediction tasks. Our curriculum approach is defined by growing the patch size during model training, which gradually increases the task’s difficulty. We integrated our curriculum into the nnU-Net framework and evaluated the methodology on all 10 tasks of the Medical Segmentation Decathlon. With our approach, we are able to substantially reduce runtime, computational costs, and emissions of network training compared to classical constant patch size training. In our experiments, the curriculum approach resulted in improved convergence. We are able to outperform standard nnU-Net training, which is trained with constant patch size, in terms of Dice Score on 7 out of 10 MSD tasks while only spending roughly 50% of the original training runtime. To the best of our knowledge, our Progressive Growing of Patch Size is the first successful employment of a sample-length curriculum in the form of patch size in the field of computer vision.
Positron emission tomography (PET) is a well-established functional imaging technique for diagnosing brain disorders. However, PET’s high costs and radiation exposure limit its widespread use. In contrast, magnetic resonance imaging (MRI) does not have these limitations. Although it also captures neurodegenerative changes, MRI is a less sensitive diagnostic tool than PET. To close this gap, we aim to generate synthetic PET from MRI. Herewith, we introduce PASTA, a novel pathology-aware image translation framework based on conditional diffusion models. Compared to the state-of-the-art methods, PASTA excels in preserving both structural and pathological details in the target modality, which is achieved through its highly interactive dual-arm architecture and multi-modal condition integration. A cycle exchange consistency and volumetric generation strategy elevate PASTA’s capability to produce high-quality 3D PET scans. Our qualitative and quantitative results confirm that the synthesized PET scans from PASTA not only reach the best quantitative scores but also preserve the pathology correctly. For Alzheimer’s classification, the performance of synthesized scans improves over MRI by 4%, almost reaching the performance of actual PET.
Physics-inspired regularization is desired for intra-patient image registration since it can effectively capture the biomechanical characteristics of anatomical structures. However, a major challenge lies in the reliance on physical parameters: Parameter estimations vary widely across the literature, and the physical properties themselves are inherently subject-specific. In this work, we introduce a novel data-driven method that leverages hypernetworks to learn the tissue-dependent elasticity parameters of an elastic regularizer. Notably, our approach facilitates the estimation of patient-specific parameters without the need to retrain the network. We evaluate our method on three publicly available 2D and 3D lung CT and cardiac MR datasets. We find that with our proposed subject-specific tissue-dependent regularization, a higher registration quality is achieved across all datasets compared to using a global regularizer.
Multimodal pre-training demonstrates its potential in the medical domain, which learns medical visual representations from paired medical reports. However, many pre-training tasks require extra annotations from clinicians, and most of them fail to explicitly guide the model to learn the desired features of different pathologies. In this paper, we utilize Visual Question Answering (VQA) for multimodal pre-training to guide the framework focusing on targeted pathological features. We leverage descriptions in medical reports to design multi-granular question-answer pairs associated with different diseases, which assist the framework in pre-training without requiring extra annotations from experts. We also propose a novel pre-training framework with a quasi-textual feature transformer, a module designed to transform visual features into a quasi-textual space closer to the textual domain via a contrastive learning strategy. This narrows the vision-language gap and facilitates modality alignment. Our framework is applied to four downstream tasks: report generation, classification, segmentation, and detection across five datasets. Extensive experiments demonstrate the superiority of our framework compared to other state-of-the-art methods.
Ultrasound imaging is challenging to interpret due to non-uniform intensities, low contrast, and inherent artifacts, necessitating extensive training for non-specialists. Advanced representation with clear tissue structure separation could greatly assist clinicians in mapping underlying anatomy and distinguishing between tissue layers. Decomposing an image into semantically meaningful segments is mainly achieved using supervised segmentation algorithms. Unsupervised methods are beneficial, as acquiring large labeled datasets is difficult and costly, but despite their advantages, they still need to be explored in ultrasound. This paper proposes a novel unsupervised deep learning strategy tailored to ultrasound to obtain easily interpretable tissue separations. We integrate key concepts from unsupervised deep spectral methods, which combine spectral graph theory with deep learning methods. We utilize self-supervised transformer features for spectral clustering to generate meaningful segments based on ultrasound-specific metrics and shape and positional priors, ensuring semantic consistency across the dataset. We evaluate our unsupervised deep learning strategy on three ultrasound datasets, showcasing qualitative results across anatomical contexts without label requirements. We also conduct a comparative analysis against other clustering algorithms to demonstrate superior segmentation performance, boundary preservation, and label consistency.
Computer Aided Medical Procedures & Augmented Reality
Nuclei semantic segmentation is a key component for advancing machine learning and deep learning applications in digital pathology. However, most existing segmentation models are trained and tested on high-quality data acquired with expensive equipment, such as whole slide scanners, which are not accessible to most pathologists in developing countries. These pathologists rely on low-resource data acquired with low-precision microscopes, smartphones, or digital cameras, which have different characteristics and challenges than high-resource data. Therefore, there is a gap between the state-of-the-art segmentation models and the real-world needs of low-resource settings. This work aims to bridge this gap by presenting the first fully annotated African multi-organ dataset for histopathology nuclei semantic segmentation acquired with a low-precision microscope. We also evaluate state-of-the-art segmentation models, including spectral feature extraction encoder and vision transformer-based models, and stain normalization techniques for color normalization of Hematoxylin and Eosin-stained histopathology slides. Our results provide important insights for future research on nuclei histopathology segmentation with low-resource data.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Every day, countless surgeries are performed worldwide, each within the distinct settings of operating rooms (ORs) that vary not only in their setups but also in the personnel, tools, and equipment used. This inherent diversity poses a substantial challenge for achieving a holistic understanding of the OR, as it requires models to generalize beyond their initial training datasets. To reduce this gap, we introduce ORacle, an advanced vision-language model designed for holistic OR domain modeling, which incorporates multi-view and temporal capabilities and can leverage external knowledge during inference, enabling it to adapt to previously unseen surgical scenarios. This capability is further enhanced by our novel data augmentation framework, which significantly diversifies the training dataset, ensuring ORacle’s proficiency in applying the provided knowledge effectively. In rigorous testing, in scene graph generation, and downstream tasks on the 4D-OR dataset, ORacle not only demonstrates state-of-the-art performance but does so requiring less data than existing models. Furthermore, its adaptability is displayed through its ability to interpret unseen views, actions, and appearances of tools and equipment. This demonstrates ORacle’s potential to significantly enhance the scalability and affordability of OR domain modeling and opens a pathway for future advancements in surgical data science.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
This research explores the integration of language models and unsupervised anomaly detection in medical imaging, addressing two key questions: (1) Can language models enhance the interpretability of anomaly detection maps? and (2) Can anomaly maps improve the generalizability of language models in open-set anomaly detection tasks? To investigate these questions, we introduce a new dataset for multi-image visual question-answering on brain magnetic resonance images encompassing multiple conditions. We propose KQ-Former (Knowledge Querying Transformer), which is designed to optimally align visual and textual information in limited-sample contexts. Our model achieves a 60.81% accuracy on closed questions, covering disease classification and severity across 15 different classes. For open questions, KQ-Former demonstrates a 70% improvement over the baseline with a BLEU-4 score of 0.41, and achieves the highest entailment ratios (up to 71.9%) and lowest contradiction ratios (down to 10.0%) among various natural language inference models. Furthermore, integrating anomaly maps results in an 18% accuracy increase in detecting open-set anomalies, thereby enhancing the language model’s generalizability to previously unseen medical conditions.
Processing histopathological Whole Slide Images (WSI) leads to massive storage requirements for clinics worldwide. Even after lossy image compression during image acquisition, additional lossy compression is frequently possible without substantially affecting the performance of deep learning-based (DL) downstream tasks. In this paper, we show that the commonly used JPEG algorithm is not best suited for further compression and we propose Stain Quantized Latent Compression (SQLC), a novel DL based histopathology data compression approach. SQLC compresses staining and RGB channels before passing it through a compression autoencoder (CAE) in order to obtain quantized latent representations for maximizing the compression. We show that our approach yields superior performance in a classification downstream task, compared to traditional approaches like JPEG, while image quality metrics like the Multi-Scale Structural Similarity Index (MS-SSIM) is largely preserved.
In emergency departments, rural hospitals, or clinics in less developed regions, clinicians often lack fast image analysis by trained radiologists, which can have a detrimental effect on patients’ healthcare. Large Language Models (LLMs) have the potential to alleviate some pressure from these clinicians by providing insights that can help them in their decision-making. While these LLMs achieve high test results on medical exams showcasing their great theoretical medical knowledge, they tend not to follow medical guidelines. In this work, we introduce a new approach for zero-shot guideline-driven decision support. We model a system of multiple LLM agents augmented with a contrastive vision-language model that collaborate to reach a patient diagnosis. After providing the agents with simple diagnostic guidelines, they will synthesize prompts and screen the image for findings following these guidelines. Finally, they provide understandable chain-of-thought reasoning for their diagnosis, which is then self-refined to consider inter-dependencies between diseases. As our method is zero-shot, it is adaptable to settings with rare diseases, where training data is limited, but expert-crafted disease descriptions are available. We evaluate our method on two chest X-ray datasets, CheXpert and ChestX-ray 14 Longtail, showcasing performance improvement over existing zero-shot methods and generalizability to rare diseases.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
We present a new model for deformable image registration, which learns in an unsupervised way a data-specific similarity metric. The proposed method consists of two neural networks, one that maps pairs of input images to transformations which align them, and one that provides the similarity metric whose maximisation guides the image alignment. We parametrise the similarity metric as an energy-based model, which is simple to train and allows us to improve the accuracy of image registration compared to other models with learnt similarity metrics by taking advantage of a more general mathematical formulation, as well as larger datasets. We also achieve substantial improvement in the accuracy of inter-patient image registration on MRI scans from the OASIS dataset compared to models that rely on traditional functions.
Computer Aided Medical Procedures & Augmented Reality
VoxelMorph, proposed in 2018, utilizes Convolutional Neural Networks (CNNs) to address medical image registration problems. In 2021 TransMorph advanced this approach by replacing CNNs with Attention mechanisms, claiming enhanced performance. More recently, the rise of Mamba with selective state space models has led to MambaMorph, which substituted Attention with Mamba blocks, asserting superior registration. These developments prompt a critical question: does chasing the latest computational trends with “more advanced” computational blocks genuinely enhance registration accuracy, or is it merely hype? Furthermore, the role of classic high-level registration-specific designs, such as coarse-to-fine pyramid mechanism, correlation calculation, and iterative optimization, warrants scrutiny, particularly in differentiating their influence from the aforementioned low-level computational blocks. In this study, we critically examine these questions through a rigorous evaluation in brain MRI registration. We employed modularized components for each block and ensured unbiased comparisons across all methods and designs to disentangle their effects on performance. Our findings indicate that adopting “advanced” computational elements fails to significantly improve registration accuracy. Instead, well-established registration-specific designs offer fair improvements, enhancing results by a marginal 1.5% over the baseline. Our findings emphasize the importance of rigorous, unbiased evaluation and contribution disentanglement of all low- and high-level registration components, rather than simply following the computer vision trends with “more advanced” computational blocks. We advocate for simpler yet effective solutions and novel evaluation metrics that go beyond conventional registration accuracy, warranting further research across various organs and modalities.
Artificial Intelligence in Medical Imaging
General vision encoders like DINOv2 and SAM have recently transformed computer vision. Even though they are trained on natural images, such encoder models have excelled in medical imaging, e.g., in classification, segmentation, and registration. However, no in-depth comparison of different state-of-the-art general vision encoders for medical registration is available. In this work, we investigate how well general vision encoder features can be used in the dissimilarity metrics for medical image registration. We explore two encoders that were trained on natural images as well as one that was fine-tuned on medical data. We apply the features within the well-established B-spline FFD registration framework. In extensive experiments on cardiac cine MRI data, we find that using features as additional guidance for conventional metrics improves the registration quality.
National Statistical Organizations (NSOs) increasingly draw on Machine Learning (ML) to improve the timeliness and cost-effectiveness of their products. When introducing ML solutions, NSOs must ensure that high standards with respect to robustness, reproducibility, and accuracy are upheld as codified, e.g., in the Quality Framework for Statistical Algorithms (QF4SA; Yung et al. 2022, Statistical Journal of the IAOS). At the same time, a growing body of research focuses on fairness as a pre-condition of a safe deployment of ML to prevent disparate social impacts in practice. However, fairness has not yet been explicitly discussed as a quality aspect in the context of the application of ML at NSOs. We employ the QF4SA quality framework and present a mapping of its quality dimensions to algorithmic fairness. We thereby extend the QF4SA framework in several ways: First, we investigate the interaction of fairness with each of these quality dimensions. Second, we argue for fairness as its own, additional quality dimension, beyond what is contained in the QF4SA so far. Third, we emphasize and explicitly address data, both on its own and its interaction with applied methodology. In parallel with empirical illustrations, we show how our mapping can contribute to methodology in the domains of official statistics, algorithmic fairness, and trustworthy machine learning.
This study evaluates the clinical value of a deep learning–based artificial intelligence (AI) system that performs rapid brain volumetry with automatic lobe segmentation and age- and sex-adjusted percentile comparisons.
Methods: Fifty-five patients—17 with Alzheimer’s disease (AD), 18 with frontotemporal dementia (FTD), and 20 healthy controls—underwent cranial magnetic resonance imaging scans. Two board-certified neuroradiologists (BCNR), two board-certified radiologists (BCR), and three radiology residents (RR) assessed the scans twice: first
without AI support and then with AI assistance.
Results: AI significantly improved diagnostic accuracy for AD (area under the curve −AI: 0.800, +AI: 0.926, p < 0.05), with increased correct diagnoses (p < 0.01) and reduced errors (p < 0.03). BCR and RR showed notable performance gains (BCR:
p < 0.04; RR: p < 0.02). For the diagnosis FTD, overall consensus (p < 0.01), BCNR (p < 0.02), and BCR (p < 0.05) recorded significantly more correct diagnoses.
Discussion: AI-assisted volumetry improves diagnostic performance in differentiating AD and FTD, benefiting all reader groups, including BCNR.
Functional data analysis (FDA) is a statistical framework that allows for the analysis of curves, images, or functions on higher dimensional domains. The goals of FDA, such as descriptive analyses, classification, and regression, are generally the same as for statistical analyses of scalar-valued or multivariate data, but FDA brings additional challenges due to the high- and infinite dimensionality of observations and parameters, respectively. This paper provides an introduction to FDA, including a description of the most common statistical analysis techniques, their respective software implementations, and some recent developments in the field. The paper covers fundamental concepts such as descriptives and outliers, smoothing, amplitude and phase variation, and functional principal component analysis. It also discusses functional regression, statistical inference with functional data, functional classification and clustering, and machine learning approaches for functional data analysis. The methods discussed in this paper are widely applicable in fields such as medicine, biophysics, neuroscience, and chemistry, and are increasingly relevant due to the widespread use of technologies that allow for the collection of functional data. Sparse functional data methods are also relevant for longitudinal data analysis. All presented methods are demonstrated using available software in R by analyzing a data set on human motion and motor control. To facilitate the understanding of the methods, their implementation, and hands-on application, the code for these practical examples is made available on Github.
Statistics, Data Science and Machine Learning
Machine learning has made tremendous progress in predictive performance in recent years. Despite these advances, employing machine learning models in high-stake domains remains challenging due to the opaqueness of many high-performance models. If their behavior cannot be analyzed, this likely decreases the trust in such models and hinders the acceptance of human decision-makers. Motivated by these challenges, we propose a process model for developing and evaluating explainable decision support systems that are tailored to the needs of different stakeholders. To demonstrate its usefulness, we apply the process model to a real-world application in an enterprise context. The goal is to increase the acceptance of an existing black-box model developed at a car manufacturer for supporting manual goodwill assessments. Following the proposed process, we conduct two quantitative surveys targeted at the application’s stakeholders. Our study reveals that textual explanations based on local feature importance best fit the needs of the stakeholders in the considered use case. Specifically, our results show that all stakeholders, including business specialists, goodwill assessors, and technical IT experts, agree that such explanations significantly increase their trust in the decision support system. Furthermore, our technical evaluation confirms the faithfulness and stability of the selected explanation method. These practical findings demonstrate the potential of our process model to facilitate the successful deployment of machine learning models in enterprise settings. The results emphasize the importance of developing explanations that are tailored to the specific needs and expectations of diverse stakeholders.
Artificial Intelligence and Machine Learning
Earth observation (EO), aiming at monitoring the state of planet Earth using remote sensing data, is critical for improving our daily lives and living environment. With a growing number of satellites in orbit, an increasing number of datasets with diverse sensors and research domains are being published to facilitate the research of the remote sensing community. This paper presents a comprehensive review of more than 500 publicly published datasets, including research domains like agriculture, land use and land cover, disaster monitoring, scene understanding, vision-language models, foundation models, climate change, and weather forecasting. We systematically analyze these EO datasets from four aspects: volume, resolution distributions, research domains, and the correlation between datasets. Based on the dataset attributes, we propose to measure, rank, and select datasets to build a new benchmark for model evaluation. Furthermore, a new platform for EO, termed EarthNets, is released to achieve a fair and consistent evaluation of deep learning methods on remote sensing data. EarthNets supports standard dataset libraries and cutting-edge deep learning models to bridge the gap between the remote sensing and machine learning communities. Based on this platform, extensive deep-learning methods are evaluated on the new benchmark. The insightful results are beneficial to future research.
With the rise of foundation models, a new artificial intelligence paradigm has emerged, by simply using general purpose foundation models with prompting to solve problems instead of training a separate machine learning model for each problem. Such models have been shown to have emergent properties of solving problems that they were not initially trained on. The studies for the effectiveness of such models are still quite limited. In this work, we widely study the capabilities of the ChatGPT models, namely GPT-4 and GPT-3.5, on 13 affective computing problems, namely aspect extraction, aspect polarity classification, opinion extraction, sentiment analysis, sentiment intensity ranking, emotions intensity ranking, suicide tendency detection, toxicity detection, well-being assessment, engagement measurement, personality assessment, sarcasm detection, and subjectivity detection. We introduce a framework to evaluate the ChatGPT models on regression-based problems, such as intensity ranking problems, by modelling them as pairwise ranking classification. We compare ChatGPT against more traditional NLP methods, such as end-to-end recurrent neural networks and transformers. The results demonstrate the emergent abilities of the ChatGPT models on a wide range of affective computing problems, where GPT-3.5 and especially GPT-4 have shown strong performance on many problems, particularly the ones related to sentiment, emotions, or toxicity. The ChatGPT models fell short for problems with implicit signals, such as engagement measurement and subjectivity detection.
Humor is a substantial element of human social behavior, affect, and cognition. Its automatic understanding can facilitate a more naturalistic human-AI interaction. Current methods of humor detection have been exclusively based on staged data, making them inadequate for ‘real-world’ applications. We contribute to addressing this deficiency by introducing the novel Passau-Spontaneous Football Coach Humor (Passau-SFCH) dataset, comprising about 11 hours of recordings. The Passau-SFCH dataset is annotated for the presence of humor and its dimensions (sentiment and direction) as proposed in Martin’s Humor Style Questionnaire. We conduct a series of experiments employing pretrained Transformers, convolutional neural networks, and expert-designed features. The performance of each modality (text, audio, video) for spontaneous humor recognition is analyzed and their complementarity is investigated. Our findings suggest that for the automatic analysis of humor and its sentiment, facial expressions are most promising, while humor direction can be best modeled via text-based features. Further, we experiment with different multimodal approaches to humor recognition, including decision-level fusion and MulT, a multimodal Transformer approach. In this context, we propose a novel multimodal architecture that yields the best overall results.
Self-supervised pretraining on large-scale satellite data has raised great interest in building Earth observation (EO) foundation models. However, many important resources beyond pure satellite imagery, such as land-cover-land-use products that provide free global semantic information, as well as vision foundation models that hold strong knowledge of the natural world, are not widely studied. In this work, we show these free additional resources not only help resolve common contrastive learning bottlenecks but also significantly boost the efficiency and effectiveness of EO pretraining. Specifically, we first propose soft contrastive learning (SoftCon) that optimizes cross-scene soft similarity based on land-cover-generated multilabel supervision, naturally solving the issue of multiple positive samples and too strict positive matching in complex scenes. Second, we revisit and explore cross-domain continual pretraining for both multispectral and synthetic aperture radar (SAR) imagery, building efficient EO foundation models from strongest vision models such as DINOv2. Adapting simple weight-initialization and Siamese masking strategies into our SoftCon framework, we demonstrate impressive continual pretraining performance even when the input modalities are not aligned. Without prohibitive training, we produce multispectral and SAR foundation models that achieve significantly better results in 10 out of 11 downstream tasks than most existing SOTA models. For example, our ResNet50/ViT-S achieve 84.8/85.0 linear probing mAP scores on BigEarthNet-10%, which are better than most existing ViT-L models; under the same setting, our ViT-B sets a new record of 86.8 in multispectral, and 82.5 in SAR, the latter even better than many multispectral models.
In this multi-center study, we proposed a structured reporting (SR) framework for non-small cell lung cancer (NSCLC) and developed a software-assisted tool to automatically translate image-based findings and annotations into TNM classifications. The aim of this study was to validate the software-assisted SR tool for NSCLC, assess its potential clinical impact in a proof-of-concept study, and evaluate current reporting standards in participating institutions.
In this paper, we consider the signature-to-path reconstruction problem from the control-theoretic perspective. Namely, we design an optimal control problem whose solution leads to the minimal-length path that generates a given signature. In order to do that, we minimize a cost functional consisting of two competing terms, i.e., a weighted final-time cost combined with the -norm squared of the controls. Moreover, we can show that, by taking the limit to infinity of the parameter that tunes the final-time cost, the problem -converges to the problem of finding a sub-Riemannian geodesic connecting two signatures. Finally, we provide an alternative reformulation of the latter problem, which is particularly suitable for the numerical implementation.
Applied Numerical Analysis
Automated detection of tumour lesions on positron emission tomography–computed tomography (PET/CT) image data is a clinically relevant but highly challenging task. Progress in this field has been hampered in the past owing to the lack of publicly available annotated data and limited availability of platforms for inter-institutional collaboration. Here we describe the results of the autoPET challenge, a biomedical image analysis challenge aimed to motivate research in the field of automated PET/CT image analysis. The challenge task was the automated segmentation of metabolically active tumour lesions on whole-body 18F-fluorodeoxyglucose PET/CT. Challenge participants had access to a large publicly available annotated PET/CT dataset for algorithm training. All algorithms submitted to the final challenge phase were based on deep learning methods, mostly using three-dimensional U-Net architectures. Submitted algorithms were evaluated on a private test set composed of 150 PET/CT studies from two institutions. An ensemble model of the highest-ranking algorithms achieved favourable performance compared with individual algorithms. Algorithm performance was dependent on the quality and quantity of data and on algorithm design choices, such as tailored post-processing of predicted segmentations. Future iterations of this challenge will focus on generalization and clinical translation.
In the Fourth Industrial Revolution, wherein artificial intelligence and the automation of machines occupy a central role, the deployment of robots is indispensable. However, the manufacturing process using robots, especially in collaboration with humans, is highly intricate. In particular, modeling the friction torque in robotic joints is a longstanding problem due to the lack of a good mathematical description. This motivates the usage of data-driven methods in recent works. However, model-based and data-driven models often exhibit limitations in their ability to generalize beyond the specific dynamics they were trained on, as we demonstrate in this paper. To address this challenge, we introduce a novel approach based on residual learning, which aims to adapt an existing friction model to new dynamics using as little data as possible. We validate our approach by training a base neural network on a symmetric friction data set to learn an accurate relation between the velocity and the friction torque. Subsequently, to adapt to more complex asymmetric settings, we train a second network on a small dataset, focusing on predicting the residual of the initial network’s output. By combining the output of both networks in a suitable manner, our proposed estimator outperforms the conventional model-based approach, an extended LuGre model, and the base neural network significantly. Furthermore, we evaluate our method on trajectories involving external loads and still observe a substantial improvement, approximately 60%–70%, over the conventional approach. Our method does not rely on data with external load during training, eliminating the need for external torque sensors. This demonstrates the generalization capability of our approach, even with a small amount of data – less than a minute – enabling adaptation to diverse scenarios based on prior knowledge about friction in different settings.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
‘Moral imagination’ is the capacity to register that one’s perspective on a decision-making situation is limited, and to imagine alternative perspectives that reveal new considerations or approaches. We have developed a Moral Imagination approach that aims to drive a culture of responsible innovation, ethical awareness, deliberation, decision-making, and commitment in organizations developing new technologies. We here present a case study that illustrates one key aspect of our approach – the technomoral scenario – as we have applied it in our work with product and engineering teams. Technomoral scenarios are fictional narratives that raise ethical issues surrounding the interaction between emerging technologies and society. Through facilitated roleplaying and discussion, participants are prompted to examine their own intentions, articulate justifications for actions, and consider the impact of decisions on various stakeholders. This process helps developers to reenvision their choices and responsibilities, ultimately contributing to a culture of responsible innovation.
Estimating heterogeneous treatment effects is important to tailor treatments to those individuals who would most likely benefit. However, conditional average treatment effect predictors may often be trained on one population but possibly deployed on different, possibly unknown populations. We use methodology for learning multi-accurate predictors to post-process CATE T-learners (differenced regressions) to become robust to unknown covariate shifts at the time of deployment. The method works in general for pseudo-outcome regression, such as the DR-learner. We show how this approach can combine (large) confounded observational and (smaller) randomized datasets by learning a confounded predictor from the observational dataset, and auditing for multi-accuracy on the randomized controlled trial. We show improvements in bias and mean squared error in simulations with increasingly larger covariate shift, and on a semi-synthetic case study of a parallel large observational study and smaller randomized controlled experiment. Overall, we establish a connection between methods developed for multi-distribution learning and achieve appealing desiderata (e.g. external validity) in causal inference and machine learning.
Large-scale hydrodynamic models generally rely on fixed-resolution spatial grids and model parameters as well as incurring a high computational cost. This limits their ability to accurately forecast flood crests and issue time-critical hazard warnings. In this work, we build a fast, stable, accurate, resolution-invariant, and geometry-adaptive flood modeling and forecasting framework that can perform at large scales, namely FloodCast. The framework comprises two main modules: multi-satellite observation and hydrodynamic modeling. In the multi-satellite observation module, a real-time unsupervised change detection method and a rainfall processing and analysis tool are proposed to harness the full potential of multi-satellite observations in large-scale flood prediction. In the hydrodynamic modeling module, a geometry-adaptive physics-informed neural solver (GeoPINS) is introduced, benefiting from the absence of a requirement for training data in physics-informed neural networks (PINNs) and featuring a fast, accurate, and resolution-invariant architecture with Fourier neural operators. To adapt to complex river geometries, we reformulate PINNs in a geometry-adaptive space. GeoPINS demonstrates impressive performance on popular partial differential equations across regular and irregular domains. Building upon GeoPINS, we propose a sequence-to-sequence GeoPINS model to handle long-term temporal series and extensive spatial domains in large-scale flood modeling. This model employs sequence-to-sequence learning and hard-encoding of boundary conditions. Next, we establish a benchmark dataset in the 2022 Pakistan flood using a widely accepted finite difference numerical solution to assess various flood simulation methods. Finally, we validate the model in three dimensions - flood inundation range, depth, and transferability of spatiotemporal downscaling - utilizing SAR-based flood data, traditional hydrodynamic benchmarks, and concurrent optical remote sensing images. Traditional hydrodynamics and sequence-to-sequence GeoPINS exhibit exceptional agreement during high water levels, while comparative assessments with SAR-based flood depth data show that sequence-to-sequence GeoPINS outperforms traditional hydrodynamics, with smaller simulation errors. The experimental results for the 2022 Pakistan flood demonstrate that the proposed method enables high-precision, large-scale flood modeling with an average MAPE of 14.93% and an average Mean Absolute Error (MAE) of 0.0610 m for 14-day water depth simulations while facilitating real-time flood hazard forecasting using reliable precipitation data.
We propose a methodology to enhance local CO2 monitoring by integrating satellite data from the Orbiting Carbon Observatories (OCO-2 and OCO-3) with ground level observations from the Integrated Carbon Observation System (ICOS) and weather data from the ECMWF Reanalysis v5 (ERA5). Unlike traditional methods that downsample national data, our approach uses multimodal data fusion for high-resolution CO2 estimations. We employ weighted K-nearest neighbor (KNN) interpolation with machine learning models to predict ground level CO2 from satellite measurements, achieving a Root Mean Squared Error of 3.92 ppm. Our results show the effectiveness of integrating diverse data sources in capturing local emission patterns, highlighting the value of high-resolution atmospheric transport models. The developed model improves the granularity of CO2 monitoring, providing precise insights for targeted carbon mitigation strategies, and represents a novel application of neural networks and KNN in environmental monitoring, adaptable to various regions and temporal scales.
Detecting arbitrarily shaped clusters in high-dimensional noisy data is challenging for current clustering methods. We introduce SHADE (Structure-preserving High-dimensional Analysis with Density-based Exploration), the first deep clustering algorithm that incorporates density-connectivity into its loss function. Similar to existing deep clustering algorithms, SHADE supports high-dimensional and large data sets with the expressive power of a deep autoencoder. In contrast to most existing deep clustering methods that rely on a centroid-based clustering objective, SHADE incorporates a novel loss function that captures density-connectivity. SHADE thereby learns a representation that enhances the separation of density-connected clusters. SHADE detects a stable clustering and noise points fully automatically without any user input. It outperforms existing methods in clustering quality, especially on data that contain non-Gaussian clusters, such as video data. Moreover, the embedded space of SHADE is suitable for visualization and interpretation of the clustering results as the individual shapes of the clusters are preserved.
Christian Böhm
Prof. Dr.
* Former Member
This document provides the annotation guidelines for MaiBaam, a Bavarian corpus manually annotated with part-of-speech (POS) tags, syntactic dependencies, and German lemmas. MaiBaam belongs to the Universal Dependencies (UD) project, and our annotations elaborate on the general and German UD version 2 guidelines. In this document, we detail how to preprocess and tokenize Bavarian data, provide an overview of the POS tags and dependencies we use, explain annotation decisions that would also apply to closely related languages like German, and lastly we introduce and motivate decisions that are specific to Bavarian grammar.
AI and Computational Linguistics
AI and Computational Linguistics
Tree of Thoughts (ToT) is a reasoning strategy for Large Language Models (LLMs) that employs a generator to suggest reasoning steps and a discriminator to decide which steps to implement. ToT demonstrates strong performance on reasoning tasks, often surpassing simple methods such as Input-Output (IO) prompting and Chain-of-Thought (CoT) reasoning. However, ToT does not consistently outperform such simpler methods across all models, leaving large knowledge gaps on the conditions under which ToT is most beneficial. In this paper, we analyze the roles of the generator and discriminator separately to better understand the conditions when ToT is beneficial. We find that the generator plays a more critical role than the discriminator in driving the success of ToT. Scaling the generator leads to notable improvements in ToT performance, even when using a smaller model as the discriminator, whereas scaling the discriminator with a fixed generator yields only marginal gains. Our results show that models across different scales exhibit comparable discrimination capabilities, yet differ significantly in their generative performance for ToT.
AI and Computational Linguistics
AI and Computational Linguistics
Learning useful representations for continuous-time dynamic graphs (CTDGs) is challenging, due to the concurrent need to span long node interaction histories and grasp nuanced temporal details. In particular, two problems emerge: (1) Encoding longer histories requires more computational resources, making it crucial for CTDG models to maintain low computational complexity to ensure efficiency; (2) Meanwhile, more powerful models are needed to identify and select the most critical temporal information within the extended context provided by longer histories. To address these problems, we propose a CTDG representation learning model named DyGMamba, originating from the popular Mamba state space model (SSM). DyGMamba first leverages a node-level SSM to encode the sequence of historical node interactions. Another time-level SSM is then employed to exploit the temporal patterns hidden in the historical graph, where its output is used to dynamically select the critical information from the interaction history. We validate DyGMamba experimentally on the dynamic link prediction task. The results show that our model achieves state-of-the-art in most cases. DyGMamba also maintains high efficiency in terms of computational resources, making it possible to capture long temporal dependencies with a limited computation budget.
This paper describes a linguistically-motivated approach to the 2024 edition of the BabyLM Challenge (Warstadt et al. 2023). Rather than pursuing a first language learning (L1) paradigm, we approach the challenge from a second language (L2) learning perspective. In L2 learning, there is a stronger focus on learning explicit linguistic information, such as grammatical notions, definitions of words or different ways of expressing a meaning. This makes L2 learning potentially more efficient and concise. We approximate this using data from Wiktionary, grammar examples either generated by an LLM or sourced from grammar books, and paraphrase data. We find that explicit information about word meaning (in our case, Wiktionary) does not boost model performance, while grammatical information can give a small improvement. The most impactful data ingredient is sentence paraphrases, with our two best models being trained on 1) a mix of paraphrase data and data from the BabyLM pretraining dataset, and 2) exclusively paraphrase data.
Data Analytics & Statistics
Data Analytics & Statistics
Topic modeling is a key method in text analysis, but existing approaches are limited by assuming one topic per document or fail to scale efficiently for large, noisy datasets of short texts. We introduce Semantic Component Analysis (SCA), a novel topic modeling technique that overcomes these limitations by discovering multiple, nuanced semantic components beyond a single topic in short texts which we accomplish by introducing a decomposition step to the clustering-based topic modeling framework. Evaluated on multiple Twitter datasets, SCA matches the state-of-the-art method BERTopic in coherence and diversity, while uncovering at least double the semantic components and maintaining a noise rate close to zero while staying scalable and effective across languages, including an underrepresented one.
AI and Computational Linguistics
The challenge of approximating functions in infinite-dimensional spaces from finite samples is widely regarded as formidable. We delve into the challenging problem of the numerical approximation of Sobolev-smooth functions defined on probability spaces. Our particular focus centers on the Wasserstein distance function, which serves as a relevant example. In contrast to the existing body of literature focused on approximating efficiently pointwise evaluations, we chart a new course to define functional approximants by adopting three machine learning-based approaches: 1. Solving a finite number of optimal transport problems and computing the corresponding Wasserstein potentials. 2. Employing empirical risk minimization with Tikhonov regularization in Wasserstein Sobolev spaces. 3. Addressing the problem through the saddle point formulation that characterizes the weak form of the Tikhonov functional’s Euler-Lagrange equation. We furnish explicit and quantitative bounds on generalization errors for each of these solutions. We leverage the theory of metric Sobolev spaces and we combine it with techniques of optimal transport, variational calculus, and large deviation bounds. In our numerical implementation, we harness appropriately designed neural networks to serve as basis functions. These networks undergo training using diverse methodologies. This approach allows us to obtain approximating functions that can be rapidly evaluated after training. Our constructive solutions significantly enhance at equal accuracy the evaluation speed, surpassing that of state-of-the-art methods by several orders of magnitude. This allows evaluations over large datasets several times faster, including training, than traditional optimal transport algorithms. Our analytically designed deep learning architecture slightly outperforms the test error of state-of-the-art CNN architectures on datasets of images.
Climate model large ensembles are an essential research tool for analysing and quantifying natural climate variability and providing robust information for rare extreme events. The models simulated representations of reality are susceptible to bias due to incomplete understanding of physical processes. This paper aims to correct the bias of five climate variables from the CRCM5 Large Ensemble over Central Europe at a 3-hourly temporal resolution. At this high temporal resolution, two variables, precipitation and radiation, exhibit a high share of zero inflation. We propose a novel bias-correction method, VBC (Vine copula bias correction), that models and transfers multivariate dependence structures for zero-inflated margins in the data from its error-prone model domain to a reference domain. VBC estimates the model and reference distribution using vine copulas and corrects the model distribution via (inverse) Rosenblatt transformation. To deal with the variables’ zero-inflated nature, we develop a new vine density decomposition that accommodates such variables and employs an adequately randomized version of the Rosenblatt transform. This novel approach allows for more accurate modelling of multivariate zero-inflated climate data. Compared with state-of-the-art correction methods, VBC is generally the best-performing correction and the most accurate method for correcting zero-inflated events.
Statistical Consulting Unit (StaBLab)
Statistical Consulting Unit (StaBLab)
Computational Statistics & Data Science
Open-ended text generation has become a prominent task in natural language processing due to the rise of powerful (large) language models. However, evaluating the quality of these models and the employed decoding strategies remains challenging because of trade-offs among widely used metrics such as coherence, diversity, and perplexity. Decoding methods often excel in some metrics while underperforming in others, complicating the establishment of a clear ranking. In this paper, we present novel ranking strategies within this multicriteria framework. Specifically, we employ benchmarking approaches based on partial orderings and present a new summary metric designed to balance existing automatic indicators, providing a more holistic evaluation of text generation quality. Furthermore, we discuss the alignment of these approaches with human judgments. Our experiments demonstrate that the proposed methods offer a robust way to compare decoding strategies, exhibit similarities with human preferences, and serve as valuable tools in guiding model selection for open-ended text generation tasks. Finally, we suggest future directions for improving evaluation methodologies in text generation. Our codebase, datasets, and models are publicly available.
Statistical Learning and Data Science
Statistical Learning and Data Science
Reinforcement learning (RL) is not yet competitive for many cyber-physical systems, such as robotics, process automation, and power systems, as training on a system with physical components cannot be accelerated, and simulation models do not exist or suffer from a large simulation-to-reality gap. During the long training time, expensive equipment cannot be used and might even be damaged due to inappropriate actions of the reinforcement learning agent. Our novel approach addresses exactly this problem: We train the reinforcement agent in a so-called shadow mode with the assistance of an existing conventional controller, which does not have to be trained and instantaneously performs reasonably well. In shadow mode, the agent relies on the controller to provide action samples and guidance towards favourable states to learn the task, while simultaneously estimating for which states the learned agent will receive a higher reward than the conventional controller. The RL agent will then control the system for these states and all other regions remain under the control of the existing controller. Over time, the RL agent will take over for an increasing amount of states, while leaving control to the baseline, where it cannot surpass its performance. Thus, we keep regret during training low and improve the performance compared to only using conventional controllers or reinforcement learning. We present and evaluate two mechanisms for deciding whether to use the RL agent or the conventional controller. The usefulness of our approach is demonstrated for a reach-avoid task, for which we are able to effectively train an agent, where standard approaches fail.
The intriguing in-context learning (ICL) abilities of deep Transformer models have lately garnered significant attention. By studying in-context linear regression on unimodal Gaussian data, recent empirical and theoretical works have argued that ICL emerges from Transformers’ abilities to simulate learning algorithms like gradient descent. However, these works fail to capture the remarkable ability of Transformers to learn multiple tasks in context. To this end, we study in-context learning for linear regression with diverse tasks, characterized by data covariance matrices with condition numbers ranging from [1,κ], and highlight the importance of depth in this setting. More specifically, (a) we show theoretical lower bounds of log(κ) (or κ√) linear attention layers in the unrestricted (or restricted) attention setting and, (b) we show that multilayer Transformers can indeed solve such tasks with a number of layers that matches the lower bounds. However, we show that this expressivity of multilayer Transformer comes at the price of robustness. In particular, multilayer Transformers are not robust to even distributional shifts as small as O(e−L) in Wasserstein distance, where L is the depth of the network. We then demonstrate that Looped Transformers – a special class of multilayer Transformers with weight-sharing – not only exhibit similar expressive power but are also provably robust under mild assumptions. Besides out-of-distribution generalization, we also show that Looped Transformers are the only models that exhibit a monotonic behavior of loss with respect to depth.
Recent advancements in machine learning have transformed the discovery of physical laws, moving from manual derivation to data-driven methods that simultaneously learn both the structure and parameters of governing equations. This shift introduces new challenges regarding the validity of the discovered equations, particularly concerning their uniqueness and, hence, identifiability. While the issue of non-uniqueness has been well-studied in the context of parameter estimation, it remains underexplored for algorithms that recover both structure and parameters simultaneously. Early studies have primarily focused on idealized scenarios with perfect, noise-free data. In contrast, this paper investigates how noise influences the uniqueness and identifiability of physical laws governed by partial differential equations (PDEs). We develop a comprehensive mathematical framework to analyze the uniqueness of PDEs in the presence of noise and introduce new algorithms that account for noise, providing thresholds to assess uniqueness and identifying situations where excessive noise hinders reliable conclusions. Numerical experiments demonstrate the effectiveness of these algorithms in detecting uniqueness despite the presence of noise.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
English-centric large language models (LLMs) often show strong multilingual capabilities. However, the multilingual performance of these models remains unclear and is not thoroughly evaluated for many languages. Most benchmarks for multilinguality focus on classic NLP tasks, or cover a minimal number of languages. We introduce MEXA, a method for assessing the multilingual capabilities of pre-trained English-centric LLMs using parallel sentences, which are available for more languages than existing downstream tasks. MEXA leverages the fact that English-centric LLMs use English as a kind of pivot language in their intermediate layers. It computes the alignment between English and non-English languages using parallel sentences to evaluate the transfer of language understanding from English to other languages. This alignment can be used to estimate model performance in other languages. We conduct studies using various parallel datasets (FLORES-200 and Bible), models (Llama family, Gemma family, Mistral, and OLMo), and established downstream tasks (Belebele, m-MMLU, and m-ARC). We explore different methods to compute embeddings in decoder-only models. Our results show that MEXA, in its default settings, achieves a statistically significant average Pearson correlation of 0.90 with three established downstream tasks across nine models and two parallel datasets. This suggests that MEXA is a reliable method for estimating the multilingual capabilities of English-centric LLMs, providing a clearer understanding of their multilingual potential and the inner workings of LLMs.
Computational Linguistics
We provide a rigorous analysis of implicit regularization in an overparametrized tensor factorization problem beyond the lazy training regime. For matrix factorization problems, this phenomenon has been studied in a number of works. A particular challenge has been to design universal initialization strategies which provably lead to implicit regularization in gradient-descent methods. At the same time, it has been argued by Cohen et. al. 2016 that more general classes of neural networks can be captured by considering tensor factorizations. However, in the tensor case, implicit regularization has only been rigorously established for gradient flow or in the lazy training regime. In this paper, we prove the first tensor result of its kind for gradient descent rather than gradient flow. We focus on the tubal tensor product and the associated notion of low tubal rank, encouraged by the relevance of this model for image data. We establish that gradient descent in an overparametrized tensor factorization model with a small random initialization exhibits an implicit bias towards solutions of low tubal rank. Our theoretical findings are illustrated in an extensive set of numerical simulations show-casing the dynamics predicted by our theory as well as the crucial role of using a small random initialization.
Applied Numerical Analysis
Direct Preference Optimization (DPO) has emerged as a powerful approach to align text-to-image (T2I) models with human feedback. Unfortunately, successful application of DPO to T2I models requires a huge amount of resources to collect and label large-scale datasets, e.g., millions of generated paired images annotated with human preferences. In addition, these human preference datasets can get outdated quickly as the rapid improvements of T2I models lead to higher quality images. In this work, we investigate a scalable approach for collecting large-scale and fully synthetic datasets for DPO training. Specifically, the preferences for paired images are generated using a pre-trained reward function, eliminating the need for involving humans in the annotation process, greatly improving the dataset collection efficiency. Moreover, we demonstrate that such datasets allow averaging predictions across multiple models and collecting ranked preferences as opposed to pairwise preferences. Furthermore, we introduce RankDPO to enhance DPO-based methods using the ranking feedback. Applying RankDPO on SDXL and SD3-Medium models with our synthetically generated preference dataset ‘Syn-Pic’ improves both prompt-following (on benchmarks like T2I-Compbench, GenEval, and DPG-Bench) and visual quality (through user studies). This pipeline presents a practical and scalable solution to develop better preference datasets to enhance the performance of text-to-image models.
Interpretable and Reliable Machine Learning
Large vision-language models frequently struggle to accurately predict responses provided by multiple human annotators, particularly when those responses exhibit human uncertainty. In this study, we focus on the Visual Question Answering (VQA) task, and we comprehensively evaluate how well the state-of-the-art vision-language models correlate with the distribution of human responses. To do so, we categorize our samples based on their levels (low, medium, high) of human uncertainty in disagreement (HUD) and employ not only accuracy but also three new human-correlated metrics in VQA, to investigate the impact of HUD. To better align models with humans, we also verify the effect of common calibration and human calibration. Our results show that even BEiT3, currently the best model for this task, struggles to capture the multi-label distribution inherent in diverse human responses. Additionally, we observe that the commonly used accuracy-oriented calibration technique adversely affects BEiT3’s ability to capture HUD, further widening the gap between model predictions and human distributions. In contrast, we show the benefits of calibrating models towards human distributions for VQA, better aligning model confidence with human uncertainty. Our findings highlight that for VQA, the consistent alignment between human responses and model predictions is understudied and should become the next crucial target of future studies.
Recent advances in generative models for medical imaging have shown promise in representing multiple modalities. However, the variability in modality availability across datasets limits the general applicability of the synthetic data they produce. To address this, we present a novel physics-informed generative model capable of synthesizing a variable number of brain MRI modalities, including those not present in the original dataset. Our approach utilizes latent diffusion models and a two-step generative process: first, unobserved physical tissue property maps are synthesized using a latent diffusion model, and then these maps are combined with a physical signal model to generate the final MRI scan. Our experiments demonstrate the efficacy of this approach in generating unseen MR contrasts and preserving physical plausibility. Furthermore, we validate the distributions of generated tissue properties by comparing them to those measured in real brain tissue.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
A fundamental question in interpretability research is to what extent neural networks, particularly language models, implement reusable functions via subnetworks that can be composed to perform more complex tasks. Recent developments in mechanistic interpretability have made progress in identifying subnetworks, often referred to as circuits, which represent the minimal computational subgraph responsible for a model’s behavior on specific tasks. However, most studies focus on identifying circuits for individual tasks without investigating how functionally similar circuits relate to each other. To address this gap, we examine the modularity of neural networks by analyzing circuits for highly compositional subtasks within a transformer-based language model. Specifically, given a probabilistic context-free grammar, we identify and compare circuits responsible for ten modular string-edit operations. Our results indicate that functionally similar circuits exhibit both notable node overlap and cross-task faithfulness. Moreover, we demonstrate that the circuits identified can be reused and combined through subnetwork set operations to represent more complex functional capabilities of the model.
AI and Computational Linguistics
Knowledge tracing (KT) is a popular approach for modeling students’ learning progress over time, which can enable more personalized and adaptive learning. However, existing KT approaches face two major limitations: (1) they rely heavily on expert-defined knowledge concepts (KCs) in questions, which is time-consuming and prone to errors; and (2) KT methods tend to overlook the semantics of both questions and the given KCs. In this work, we address these challenges and present KCQRL, a framework for automated knowledge concept annotation and question representation learning that can improve the effectiveness of any existing KT model. First, we propose an automated KC annotation process using large language models (LLMs), which generates question solutions and then annotates KCs in each solution step of the questions. Second, we introduce a contrastive learning approach to generate semantically rich embeddings for questions and solution steps, aligning them with their associated KCs via a tailored false negative elimination approach. These embeddings can be readily integrated into existing KT models, replacing their randomly initialized embeddings. We demonstrate the effectiveness of KCQRL across 15 KT algorithms on two large real-world Math learning datasets, where we achieve consistent performance improvements.
Artificial Intelligence in Management
Document-level relation extraction aims at inferring structured human knowledge from textual documents. State-of-the-art methods for this task use pre-trained language models (LMs) via fine-tuning, yet fine-tuning is computationally expensive and cannot adapt to new relation types or new LMs. As a remedy, we leverage the generalization capabilities of pre-trained LMs and present a novel framework for document-level in-context few-shot relation extraction. Our framework has three strengths: it eliminates the need (1) for named entity recognition and (2) for human annotations of documents, and (3) it can be updated to new LMs without re-training. We evaluate our framework using DocRED, the largest publicly available dataset for document-level relation extraction, and demonstrate that our framework achieves state-of-the-art performance. We further show that our framework actually performs much better than the original labels from the development set of DocRED. Finally, we conduct an extensive benchmark demonstrating the effectiveness of our framework, achieving state-of-the-art results across six relation extraction datasets and outperforming more than 30 baseline methods. Unlike our framework, the baseline methods have large computational overhead (e.g., from fine-tuning). To the best of our knowledge, we are the first to reformulate the document-level relation extraction task as a tailored in-context few-shot learning paradigm.
Artificial Intelligence in Management
Low-rank adaptations (LoRAs) have revolutionized the finetuning of large foundation models, enabling efficient adaptation even with limited computational resources. The resulting proliferation of LoRAs presents exciting opportunities for applying machine learning techniques that take these low-rank weights themselves as inputs. In this paper, we investigate the potential of Learning on LoRAs (LoL), a paradigm where LoRA weights serve as input to machine learning models. For instance, an LoL model that takes in LoRA weights as inputs could predict the performance of the finetuned model on downstream tasks, detect potentially harmful finetunes, or even generate novel model edits without traditional training methods. We first identify the inherent parameter symmetries of low rank decompositions of weights, which differ significantly from the parameter symmetries of standard neural networks. To efficiently process LoRA weights, we develop several symmetry-aware invariant or equivariant LoL models, using tools such as canonicalization, invariant featurization, and equivariant layers. We finetune thousands of text-to-image diffusion models and language models to collect datasets of LoRAs. In numerical experiments on these datasets, we show that our LoL architectures are capable of processing low rank weight decompositions to predict CLIP score, finetuning data attributes, finetuning data membership, and accuracy on downstream tasks.
Symbolic recovery of differential equations is the ambitious attempt at automating the derivation of governing equations with the use of machine learning techniques. In contrast to classical methods which assume the structure of the equation to be known and focus on the estimation of specific parameters, these algorithms aim to learn the structure and the parameters simultaneously. While the uniqueness and, therefore, the identifiability of parameters of governing equations are a well-addressed problem in the field of parameter estimation, it has not been investigated for symbolic recovery. However, this problem should be even more present in this field since the algorithms aim to cover larger spaces of governing equations. In this paper, we investigate under which conditions a solution of a differential equation does not uniquely determine the equation itself. For various classes of differential equations, we provide both necessary and sufficient conditions for a function to uniquely determine the corresponding differential equation. We then use our results to devise numerical algorithms aiming to determine whether a function solves a differential equation uniquely. Finally, we provide extensive numerical experiments showing that our algorithms can indeed guarantee the uniqueness of the learned governing differential equation, without assuming any knowledge about the analytic form of function, thereby ensuring the reliability of the learned equation.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
In personalized medicine, the ability to predict and optimize treatment outcomes across various time frames is essential. Additionally, the ability to select cost-effective treatments within specific budget constraints is critical. Despite recent advancements in estimating counterfactual trajectories, a direct link to optimal treatment selection based on these estimates is missing. This paper introduces a novel method integrating counterfactual estimation techniques and uncertainty quantification to recommend personalized treatment plans adhering to predefined cost constraints. Our approach is distinctive in its handling of continuous treatment variables and its incorporation of uncertainty quantification to improve prediction reliability. We validate our method using two simulated datasets, one focused on the cardiovascular system and the other on COVID-19. Our findings indicate that our method has robust performance across different counterfactual estimation baselines, showing that introducing uncertainty quantification in these settings helps the current baselines in finding more reliable and accurate treatment selection. The robustness of our method across various settings highlights its potential for broad applicability in personalized healthcare solutions.
Ethics in Systems Design and Machine Learning
Reliable estimation of treatment effects from observational data is important in many disciplines such as medicine. However, estimation is challenging when unconfoundedness as a standard assumption in the causal inference literature is violated. In this work, we leverage arbitrary (potentially high-dimensional) instruments to estimate bounds on the conditional average treatment effect (CATE). Our contributions are three-fold: (1) We propose a novel approach for partial identification through a mapping of instruments to a discrete representation space so that we yield valid bounds on the CATE. This is crucial for reliable decision-making in real-world applications. (2) We derive a two-step procedure that learns tight bounds using a tailored neural partitioning of the latent instrument space. As a result, we avoid instability issues due to numerical approximations or adversarial training. Furthermore, our procedure aims to reduce the estimation variance in finite-sample settings to yield more reliable estimates. (3) We show theoretically that our procedure obtains valid bounds while reducing estimation variance. We further perform extensive experiments to demonstrate the effectiveness across various settings. Overall, our procedure offers a novel path for practitioners to make use of potentially high-dimensional instruments (e.g., as in Mendelian randomization).
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Active learning (AL) is a widely used technique for optimizing data labeling in machine learning by iteratively selecting, labeling, and training on the most informative data. However, its integration with formal privacy-preserving methods, particularly differential privacy (DP), remains largely underexplored. While some works have explored differentially private AL for specialized scenarios like online learning, the fundamental challenge of combining AL with DP in standard learning settings has remained unaddressed, severely limiting AL’s applicability in privacy-sensitive domains. This work addresses this gap by introducing differentially private active learning (DP-AL) for standard learning settings. We demonstrate that naively integrating DP-SGD training into AL presents substantial challenges in privacy budget allocation and data utilization. To overcome these challenges, we propose step amplification, which leverages individual sampling probabilities in batch creation to maximize data point participation in training steps, thus optimizing data utilization. Additionally, we investigate the effectiveness of various acquisition functions for data selection under privacy constraints, revealing that many commonly used functions become impractical. Our experiments on vision and natural language processing tasks show that DP-AL can improve performance for specific datasets and model architectures. However, our findings also highlight the limitations of AL in privacy-constrained environments, emphasizing the trade-offs between privacy, model accuracy, and data selection accuracy.
Georgios Kaissis
Dr.
* Former Member
Unsupervised representation learning presents new opportunities for advancing Quantum Architecture Search (QAS) on Noisy Intermediate-Scale Quantum (NISQ) devices. QAS is designed to optimize quantum circuits for Variational Quantum Algorithms (VQAs). Most QAS algorithms tightly couple the search space and search algorithm, typically requiring the evaluation of numerous quantum circuits, resulting in high computational costs and limiting scalability to larger quantum circuits. Predictor-based QAS algorithms mitigate this issue by estimating circuit performance based on structure or embedding. However, these methods often demand time-intensive labeling to optimize gate parameters across many circuits, which is crucial for training accurate predictors. Inspired by the classical neural architecture search algorithm Arch2vec, we investigate the potential of unsupervised representation learning for QAS without relying on predictors. Our framework decouples unsupervised architecture representation learning from the search process, enabling the learned representations to be applied across various downstream tasks. Additionally, it integrates an improved quantum circuit graph encoding scheme, addressing the limitations of existing representations and enhancing search efficiency. This predictor-free approach removes the need for large labeled datasets. During the search, we employ REINFORCE and Bayesian Optimization to explore the latent representation space and compare their performance against baseline methods. Our results demonstrate that the framework efficiently identifies high-performing quantum circuits with fewer search iterations.
Training a language model to be both helpful and harmless requires careful calibration of refusal behaviours: Models should refuse to follow malicious instructions or give harmful advice (e.g. ‘how do I kill someone?’’), but they should not refuse safe requests, even if they superficially resemble unsafe ones (e.g. ‘how do I kill a Python process?’’). Avoiding such false refusal, as prior work has shown, is challenging even for highly-capable language models. In this paper, we propose a simple and surgical method for mitigating false refusal in language models via single vector ablation. For a given model, we extract a false refusal vector and show that ablating this vector reduces false refusal rate without negatively impacting model safety and general model capabilities. We also show that our approach can be used for fine-grained calibration of model safety. Our approach is training-free and model-agnostic, making it useful for mitigating the problem of false refusal in current and future language models.
AI and Computational Linguistics
Neural differential equations offer a powerful approach for learning dynamics from data. However, they do not impose known constraints that should be obeyed by the learned model. It is well-known that enforcing constraints in surrogate models can enhance their generalizability and numerical stability. In this paper, we introduce projected neural differential equations (PNDEs), a new method for constraining neural differential equations based on projection of the learned vector field to the tangent space of the constraint manifold. In tests on several challenging examples, including chaotic dynamical systems and state-of-the-art power grid models, PNDEs outperform existing methods while requiring fewer hyperparameters. The proposed approach demonstrates significant potential for enhancing the modeling of constrained dynamical systems, particularly in complex domains where accuracy and reliability are essential.
Political debates are a peculiar type of political discourse, in which candidates directly confront one another, addressing not only the the moderator’s questions, but also their opponent’s statements, as well as the concerns of voters from both parties and undecided voters. Therefore, language is adjusted to meet specific expectations and achieve persuasion. We analyse how the language of Trump and Harris during the debate (September 10th 2024) differs in relation to the following semantic and pragmatic features, for which we formulated targeted hypotheses: framing values and ideology, appealing to emotion, using words with different degrees of concreteness and specificity, addressing others through singular or plural pronouns. Our findings include: differences in the use of figurative frames (Harris often framing issues around recovery and empowerment, Trump often focused on crisis and decline); similar use of emotional language, with Trump showing a slight higher tendency toward negativity and toward less subjective language compared to Harris; no significant difference in the specificity of candidates’ responses; similar use of abstract language, with Trump showing more variability than Harris, depending on the subject discussed; differences in addressing the opponent, with Trump not mentioning Harris by name, while Harris referring to Trump frequently; different uses of pronouns, with Harris using both singular and plural pronouns equally, while Trump using more singular pronouns. The results are discussed in relation to previous literature on Red and Blue language, which refers to distinct linguistic patterns associated with conservative (Red) and liberal (Blue) political ideologies.
Computational Linguistics
Previous research has explored the computational expressivity of Transformer models in simulating Boolean circuits or Turing machines. However, the learnability of these simulators from observational data has remained an open question. Our study addresses this gap by providing the first polynomial-time learnability results (specifically strong, agnostic PAC learning) for single-layer Transformers with linear attention. We show that linear attention may be viewed as a linear predictor in a suitably defined RKHS. As a consequence, the problem of learning any linear transformer may be converted into the problem of learning an ordinary linear predictor in an expanded feature space, and any such predictor may be converted back into a multiheaded linear transformer. Moving to generalization, we show how to efficiently identify training datasets for which every empirical risk minimizer is equivalent (up to trivial symmetries) to the linear Transformer that generated the data, thereby guaranteeing the learned model will correctly generalize across all inputs. Finally, we provide examples of computations expressible via linear attention and therefore polynomial-time learnable, including associative memories, finite automata, and a class of Universal Turing Machine (UTMs) with polynomially bounded computation histories. We empirically validate our theoretical findings on three tasks: learning random linear attention networks, key–value associations, and learning to execute finite automata. Our findings bridge a critical gap between theoretical expressivity and learnability of Transformers, and show that flexible and general models of computation are efficiently learnable.
While Mixed Reality allows the seamless blending of digital content in users’ surroundings, it is unclear if its fusion with physical information impacts users’ perceptual and cognitive resources differently. While the fusion of digital and physical objects provides numerous opportunities to present additional information, it also introduces undesirable side effects, such as split attention and increased visual complexity. We conducted a visual search study in three manifestations of mixed reality (Augmented Reality, Augmented Virtuality, Virtual Reality) to understand the effects of the environment on visual search behavior. We conducted a multimodal evaluation measuring Fixation-Related Potentials (FRPs), alongside eye tracking to assess search efficiency, attention allocation, and behavioral measures. Our findings indicate distinct patterns in FRPs and eye-tracking data that reflect varying cognitive demands across environments. Specifically, AR environments were associated with increased workload, as indicated by decreased FRP - P3 amplitudes and more scattered eye movement patterns, impairing users’ ability to identify target information efficiently. Participants reported AR as the most demanding and distracting environment. These insights inform design implications for MR adaptive systems, emphasizing the need for interfaces that dynamically respond to user cognitive load based on physiological inputs.
Rapid Serial Visual Presentation (RSVP) improves the reading speed for optimizing the user’s information processing capabilities on Virtual Reality (VR) devices. Yet, the user’s RSVP reading performance changes over time while the reading speed remains static. In this paper, we evaluate pupil dilation as a physiological metric to assess the mental workload of readers in real-time. We assess mental workload under different background lighting and RSVP presentation speeds to estimate the optimal color that discriminates the pupil diameter varying RSVP presentation speeds. We discovered that a gray background provides the best contrast for reading at various presentation speeds. Then, we conducted a second study to evaluate the classification accuracy of mental workload for different presentation speeds. We find that pupil dilation relates to mental workload when reading with RSVP. We discuss how pupil dilation can be used to adapt the RSVP speed in future VR applications to optimize information intake.
The proliferation of mobile Virtual Reality (VR) headsets shifts our interaction with virtual worlds beyond our living rooms into shared spaces. Consequently, we are entrusting more and more personal data to these devices, calling for strong security measures and authentication. However, the standard authentication method of such devices - entering PINs via virtual keyboards - is vulnerable to shoulder-surfing, as movements to enter keys can be monitored by an unnoticed observer. To address this, we evaluated masking techniques to obscure VR users’ input during PIN authentication by diverting their hand movements. Through two experimental studies, we demonstrate that these methods increase users’ security against shoulder-surfing attacks from observers without excessively impacting their experience and performance. With these discoveries, we aim to enhance the security of future VR authentication without disrupting the virtual experience or necessitating additional hardware or training of users.
Users frequently use their smartphones in combination with other smart devices, for example, when streaming music to smart speakers or controlling smart appliances. During these interconnected interactions, user data gets handled and processed by several entities that employ different data protection practices or are subject to different regulations. Users need to understand these processes to inform themselves in the right places and make informed privacy decisions. We conducted an online survey (N=120) to investigate whether users have accurate mental models about interconnected interactions. We found that users consider scenarios more privacy-concerning when multiple devices are involved. Yet, we also found that most users do not fully comprehend the privacy-relevant processes in interconnected interactions. Our results show that current privacy information methods are insufficient and that users must be better educated to make informed privacy decisions. Finally, we advocate for restricting data processing to the app layer and better encryption to reduce users’ data protection responsibilities.
In frame-based vision, object detection faces substantial performance degradation under challenging conditions due to the limited sensing capability of conventional cameras. Event cameras output sparse and asynchronous events, providing a potential solution to solve these problems. However, effectively fusing two heterogeneous modalities remains an open issue. In this work, we propose a novel hierarchical feature refinement network for event-frame fusion. The core concept is the design of the coarse-to-fine fusion module, denoted as the cross-modality adaptive feature refinement (CAFR) module. In the initial phase, the bidirectional cross-modality interaction (BCI) part facilitates information bridging from two distinct sources. Subsequently, the features are further refined by aligning the channel-level mean and variance in the two-fold adaptive feature refinement (TAFR) part. We conducted extensive experiments on two benchmarks: the low-resolution PKU-DDD17-Car dataset and the high-resolution DSEC dataset. Experimental results show that our method surpasses the state-of-the-art by an impressive margin of 8% on the DSEC dataset. Besides, our method exhibits significantly better robustness (69.5% versus 38.7%) when introducing 15 different corruption types to the frame images.
Spherical or omni-directional images offer an immersive visual format appealing to a wide range of computer vision applications. However, geometric properties of spherical images pose a major challenge for models and metrics designed for ordinary 2D images. Here, we show that direct application of Fréchet Inception Distance (FID) is insufficient for quantifying geometric fidelity in spherical images. We introduce two quantitative metrics accounting for geometric constraints, namely Omnidirectional FID (OmniFID) and Discontinuity Score (DS). OmniFID is an extension of FID tailored to additionally capture field-of-view requirements of the spherical format by leveraging cubemap projections. DS is a kernel-based seam alignment score of continuity across borders of 2D representations of spherical images. In experiments, OmniFID and DS quantify geometry fidelity issues that are undetected by FID.
Locating specific moments within long videos (20–120 min) presents a significant challenge, akin to finding a needle in a haystack. Adapting existing short video (5–30 s) grounding methods to this problem yields poor performance. Since most real-life videos, such as those on YouTube and AR/VR, are lengthy, addressing this issue is crucial. Existing methods typically operate in two stages: clip retrieval and grounding. However, this disjoint process limits the retrieval module’s fine-grained event understanding, crucial for specific moment detection. We propose RGNet which deeply integrates clip retrieval and grounding into a single network capable of processing long videos into multiple granular levels, e.g., clips and frames. Its core component is a novel transformer encoder, RG-Encoder, that unifies the two stages through shared features and mutual optimization. The encoder incorporates a sparse attention mechanism and an attention loss to model both granularity jointly. Moreover, we introduce a contrastive clip sampling technique to mimic the long video paradigm closely during training. RGNet surpasses prior methods, showcasing state-of-the-art performance on long video temporal grounding (LVTG) datasets MAD and Ego4D.
Neural implicit surfaces can be used to recover accurate 3D geometry from imperfect point clouds. In this work, we show that state-of-the-art techniques work by minimizing an approximation of a one-sided Chamfer distance. This shape metric is not symmetric, as it only ensures that the point cloud is near the surface but not vice versa. As a consequence, existing methods can produce inaccurate reconstructions with spurious surfaces. Although one approach against spurious surfaces has been widely used in the literature, we theoretically and experimentally show that it is equivalent to regularizing the surface area, resulting in over-smoothing. As a more appealing alternative, we propose DiffCD, a novel loss function corresponding to the symmetric Chamfer distance. In contrast to previous work, DiffCD also assures that the surface is near the point cloud, which eliminates spurious surfaces without the need for additional regularization. We experimentally show that DiffCD reliably recovers a high degree of shape detail, substantially outperforming existing work across varying surface complexity and noise levels.
Computer Vision & Artificial Intelligence
Establishing certified uncertainty quantification (UQ) in imaging processing applications continues to pose a significant challenge. In particular, such a goal is crucial for accurate and reliable medical imaging if one aims for precise diagnostics and appropriate intervention. In the case of magnetic resonance imaging, one of the essential tools of modern medicine, enormous advancements in fast image acquisition were possible after the introduction of compressive sensing and, more recently, deep learning methods. Still, as of now, there is no UQ method that is both fully rigorous and scalable. This work takes a step towards closing this gap by proposing a total variation minimization-based method for pixel-wise sharp confidence intervals for undersampled MRI. We demonstrate that our method empirically achieves the predicted confidence levels. We expect that our approach will also have implications for other imaging modalities as well as deep learning applications in computer vision.
Mathematical Data Science and Artificial Intelligence
The diffusion model has long been plagued by scalability and quadratic complexity issues, especially within transformer-based structures. In this study, we aim to leverage the long sequence modeling capability of a State-Space Model called Mamba to extend its applicability to visual data generation. Firstly, we identify a critical oversight in most current Mamba-based vision methods, namely the lack of consideration for spatial continuity in the scan scheme of Mamba. Secondly, building upon this insight, we introduce Zigzag Mamba, a simple, plug-and-play, minimal-parameter burden, DiT style solution, which outperforms Mamba-based baselines and demonstrates improved speed and memory utilization compared to transformer-based baselines, also this heterogeneous layerwise scan enables zero memory and speed burden when we consider more scan paths. Lastly, we integrate Zigzag Mamba with the Stochastic Interpolant framework to investigate the scalability of the model on large-resolution visual datasets, such as FacesHQ and UCF101, MultiModal-CelebA-HQ, and MS COCO .
Domain Generalization (DG) focuses on enhancing the generalization of deep learning models trained on multiple source domains to adapt to unseen target domains. This paper explores DG through the lens of bias-variance decomposition, uncovering that test errors in DG predominantly arise from cross-domain bias and variance. Inspired by this insight, we introduce a Representation Enhancement-Stabilization (RES) framework, comprising a Representation Enhancement (RE) module and a Representation Stabilization (RS) module. In RE, a novel set of feature frequency augmentation techniques is used to progressively reduce cross-domain bias during feature extraction. Furthermore, in RS, a novel Mutual Exponential Moving Average (MEMA) strategy is designed to stabilize model optimization for diminishing cross-domain variance during training. Collectively, the whole RES method can significantly enhance model generalization. We evaluate RES on five benchmark datasets and the results show that it outperforms multiple advanced DG methods.
In Composed Video Retrieval, a video and a textual description which modifies the video content are provided as inputs to the model. The aim is to retrieve the relevant video with the modified content from a database of videos. In this challenging task, the first step is to acquire large-scale training datasets and collect high-quality benchmarks for evaluation. In this work, we introduce EgoCVR, a new evaluation benchmark for fine-grained Composed Video Retrieval using large-scale egocentric video datasets. EgoCVR consists of 2,295 queries that specifically focus on high-quality temporal video understanding. We find that existing Composed Video Retrieval frameworks do not achieve the necessary high-quality temporal video understanding for this task. To address this shortcoming, we adapt a simple training-free method, propose a generic re-ranking framework for Composed Video Retrieval, and demonstrate that this achieves strong results on EgoCVR.
Interpretable and Reliable Machine Learning
Interpretable and Reliable Machine Learning
While text-to-image diffusion models have been shown to achieve state-of-the-art results in image synthesis, they have yet to prove their effectiveness in downstream applications. Previous work has proposed to generate data for image classifier training given limited real data access. However, these methods struggle to generate in-distribution images or depict fine-grained features, thereby hindering the generalization of classification models trained on synthetic datasets. We propose DataDream, a framework for synthesizing classification datasets that more faithfully represents the real data distribution when guided by few-shot examples of the target classes. DataDream fine-tunes LoRA weights for the image generation model on the few real images before generating the training data using the adapted model. We then fine-tune LoRA weights for CLIP using the synthetic data to improve downstream image classification over previous approaches on a large variety of datasets. We demonstrate the efficacy of DataDream through extensive experiments, surpassing state-of-the-art classification accuracy with few-shot data across 7 out of 10 datasets, while being competitive on the other 3. Additionally, we provide insights into the impact of various factors, such as the number of real-shot and generated images as well as the fine-tuning compute on model performance.
Interpretable and Reliable Machine Learning
While style transfer techniques have been well-developed for 2D image stylization, the extension of these methods to 3D scenes remains relatively unexplored. Existing approaches demonstrate proficiency in transferring colors and textures but often struggle with replicating the geometry of the scenes. In our work, we leverage an explicit Gaussian Scale (GS) representation and directly match the distributions of Gaussians between style and content scenes using the Earth Mover’s Distance (EMD). By employing the entropy-regularized Wasserstein-2 distance, we ensure that the transformation maintains spatial smoothness. Additionally, we decompose the scene stylization problem into smaller chunks to enhance efficiency. This paradigm shift reframes stylization from a pure generative process driven by latent space losses to an explicit matching of distributions between two Gaussian representations. Our method achieves high-resolution 3D stylization by faithfully transferring details from 3D style scenes onto the content scene. Furthermore, WaSt-3D consistently delivers results across diverse content and style scenes without necessitating any training, as it relies solely on optimization-based techniques.
Plane adjustment (PA) is crucial for many 3D applications, involving simultaneous pose estimation and plane recovery. Despite recent advancements, it remains a challenging problem in the realm of multi-view point cloud registration. Current state-of-the-art methods can achieve globally optimal convergence only with good initialization. Furthermore, their high time complexity renders them impractical for large-scale problems. To address these challenges, we first exploit a novel optimization strategy termed Bi-Convex Relaxation, which decouples the original problem into two simpler sub-problems, reformulates each sub-problem using a convex relaxation technique, and alternately solves each one until the original problem converges. Building on this strategy, we propose two algorithmic variants for solving the plane adjustment problem, namely GlobalPointer and GlobalPointer++, based on point-to-plane and plane-to-plane errors, respectively. Extensive experiments on both synthetic and real datasets demonstrate that our method can perform large-scale plane adjustment with linear time complexity, larger convergence region, and robustness to poor initialization, while achieving similar accuracy as prior methods.
Parametric feature grid encodings have gained significant attention as an encoding approach for neural fields since they allow for much smaller MLPs, which significantly decreases the inference time of the models. In this work, we propose MeshFeat, a parametric feature encoding tailored to meshes, for which we adapt the idea of multi-resolution feature grids from Euclidean space. We start from the structure provided by the given vertex topology and use a mesh simplification algorithm to construct a multi-resolution feature representation directly on the mesh. The approach allows the usage of small MLPs for neural fields on meshes, and we show a significant speed-up compared to previous representations while maintaining comparable reconstruction quality for texture reconstruction and BRDF representation. Given its intrinsic coupling to the vertices, the method is particularly well-suited for representations on deforming meshes, making it a good fit for object animation.
Computer Vision & Artificial Intelligence
Neural networks trained end-to-end give state-of-the-art performance for image denoising. However, when applied to an image outside of the training distribution, the performance often degrades significantly. In this work, we propose a test-time training (TTT) method based on masked image modeling (MIM) to improve denoising performance for out-of-distribution images. The method, termed TTT-MIM, consists of a training stage and a test time adaptation stage. At training, we minimize a standard supervised loss and a self-supervised loss aimed at reconstructing masked image patches. At test-time, we minimize a self-supervised loss to fine-tune the network to adapt to a single noisy image. Experiments show that our method can improve performance under natural distribution shifts, in particular it adapts well to real-world camera and microscope noise. A competitor to our method of training and finetuning is to use a zero-shot denoiser that does not rely on training data. However, compared to state-of-the-art zero-shot denoisers, our method shows superior performance, and is much faster, suggesting that training and finetuning on the test instance is a more efficient approach to image denoising than zero-shot methods in setups where little to no data is available.
Machine Learning and Information Processing
Report generation models offer fine-grained textual interpretations of medical images like chest X-rays, yet they often lack interactivity (i.e. the ability to steer the generation process through user queries) and localized interpretability (i.e. visually grounding their predictions), which we deem essential for future adoption in clinical practice. While there have been efforts to tackle these issues, they are either limited in their interactivity by not supporting textual queries or fail to also offer localized interpretability. Therefore, we propose a novel multitask architecture and training paradigm integrating textual prompts and bounding boxes for diverse aspects like anatomical regions and pathologies. We call this approach the Chest X-Ray Explainer (ChEX). Evaluations across a heterogeneous set of 9 chest X-ray tasks, including localized image interpretation and report generation, showcase its competitiveness with SOTA models while additional analysis demonstrates ChEX’s interactive capabilities.
Georgios Kaissis
Dr.
* Former Member
Recent Audio-Visual Question Answering (AVQA) methods rely on complete visual and audio input to answer questions accurately. However, in real-world scenarios, issues such as device malfunctions and data transmission errors frequently result in missing audio or visual modality. In such cases, existing AVQA methods suffer significant performance degradation. In this paper, we propose a framework that ensures robust AVQA performance even when a modality is missing. First, we propose a Relation-aware Missing Modal (RMM) generator with Relation-aware Missing Modal Recalling (RMMR) loss to enhance the ability of the generator to recall missing modal information by understanding the relationships and context among the available modalities. Second, we design an Audio-Visual Relation-aware (AVR) diffusion model with Audio-Visual Enhancing (AVE) loss to further enhance audio-visual features by leveraging the relationships and shared cues between the audio-visual modalities. As a result, our method can provide accurate answers by effectively utilizing available information even when input modalities are missing. We believe our method holds potential applications not only in AVQA research but also in various multi-modal scenarios.
Computer Aided Medical Procedures & Augmented Reality
Text-to-image generative models have become a prominent and powerful tool that excels at generating high-resolution realistic images. However, guiding the generative process of these models to take into account detailed forms of conditioning reflecting style and/or structure information remains an open problem. In this paper, we present. LoRAdapter, an approach that unifies both style and structure conditioning under the same formulation using a novel conditional LoRA block that enables zero-shot control. LoRAdapter is an efficient and powerful approach to condition text-to-image diffusion models, which enables fine-grained control conditioning during generation and outperforms recent state-of-the-art approaches.
Object pose distribution estimation is crucial in robotics for better path planning and handling of symmetric objects. Recent distribution estimation approaches employ contrastive learning-based approaches by maximizing the likelihood of a single pose estimate in the absence of a CAD model. We propose a pose distribution estimation method leveraging symmetry respecting correspondence distributions and shape information obtained using a CAD model. Contrastive learning-based approaches require an exhaustive amount of training images from different viewpoints to learn the distribution properly, which is not possible in realistic scenarios. Instead, we propose a pipeline that can leverage correspondence distributions and shape information from the CAD model, which are later used to learn pose distributions. Besides, having access to pose distribution based on correspondences before learning pose distributions conditioned on images, can help formulate the loss between distributions. The prior knowledge of distribution also helps the network to focus on getting sharper modes instead. With the CAD prior, our approach converges much faster and learns distribution better by focusing on learning sharper distribution near all the valid modes, unlike contrastive approaches, which focus on a single mode at a time. We achieve benchmark results on SYMSOL-I and T-Less datasets.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
The increasing availability of multi-sensor data sparks wide interest in multimodal self-supervised learning. However, most existing approaches learn only common representations across modalities while ignoring intra-modal training and modality-unique representations. We propose Decoupling Common and Unique Representations (DeCUR), a simple yet effective method for multimodal self-supervised learning. By distinguishing inter- and intra-modal embeddings through multimodal redundancy reduction, DeCUR can integrate complementary information across different modalities. We evaluate DeCUR in three common multimodal scenarios (radar-optical, RGB-elevation, and RGB-depth), and demonstrate its consistent improvement regardless of architectures and for both multimodal and modality-missing settings. With thorough experiments and comprehensive analysis, we hope this work can provide valuable insights and raise more interest in researching the hidden relationships of multimodal representations.
Most Bundle Adjustment (BA) solvers like the Levenberg-Marquardt algorithm require a good initialization. Instead, initialization-free BA remains a largely uncharted territory. The under-explored Variable Projection algorithm (VarPro) exhibits a wide convergence basin even without initialization. Coupled with object space error formulation, recent works have shown its ability to solve small-scale initialization-free bundle adjustment problem. To make such initialization-free BA approaches scalable, we introduce Power Variable Projection (PoVar), extending a recent inverse expansion method based on power series. Importantly, we link the power series expansion to Riemannian manifold optimization. This projective framework is crucial to solve large-scale bundle adjustment problems without initialization. Using the real-world BAL dataset, we experimentally demonstrate that our solver achieves state-of-the-art results in terms of speed and accuracy. To our knowledge, this work is the first to address the scalability of BA without initialization opening new venues for initialization-free structure-from-motion.
3D single object tracking (SOT) is an essential task in autonomous driving and robotics. However, learning robust 3D SOT trackers remains challenging due to the limited category-specific point cloud data and the inherent sparsity and incompleteness of LiDAR scans. To tackle these issues, we propose a unified 3D SOT framework that leverages 3D generative pre-training and learns robust 3D matching abilities from 2D pre-trained foundation trackers. Our framework features a consistent target-matching architecture with the widely used 2D trackers, facilitating the transfer of 2D matching knowledge. Specifically, we first propose a lightweight Target-Aware Projection (TAP) module, allowing the pre-trained 2D tracker to work well on the projected point clouds without further fine-tuning. We then propose a novel IoU-guided matching-distillation framework that utilizes the powerful 2D pre-trained trackers to guide 3D matching learning in the 3D tracker, i.e., the 3D template-to-search matching should be consistent with its corresponding 2D template-to-search matching obtained from 2D pre-trained trackers. Our designs are applied to two mainstream 3D SOT frameworks: memory-less Siamese and contextual memory-based approaches, which are respectively named SiamDisst and MemDisst. Extensive experiments show that SiamDisst and MemDisst achieve state-of-the-art performance on KITTI, Waymo Open Dataset and nuScenes benchmarks, while running at above real-time speed of 25 and 90 FPS on a RTX3090 GPU.
Unsupervised Domain Adaptation (UDA) is the task of bridging the domain gap between a labeled source domain, e.g., synthetic data, and an unlabeled target domain. We observe that current UDA methods show inferior results on fine structures and tend to oversegment objects with ambiguous appearance. To address these shortcomings, we propose to leverage geometric information, i.e., depth predictions, as depth discontinuities often coincide with segmentation boundaries. We show that naively incorporating depth into current UDA methods does not fully exploit the potential of this complementary information. To this end, we present MICDrop, which learns a joint feature representation by masking image encoder features while inversely masking depth encoder features. With this simple yet effective complementary masking strategy, we enforce the use of both modalities when learning the joint feature representation. To aid this process, we propose a feature fusion module to improve both global as well as local information sharing while being robust to errors in the depth predictions. We show that our method can be plugged into various recent UDA methods and consistently improve results across standard UDA benchmarks, obtaining new state-of-the-art performances.
We present EchoScene, an interactive and controllable generative model that generates 3D indoor scenes on scene graphs. EchoScene leverages a dual-branch diffusion model that dynamically adapts to scene graphs. Existing methods struggle to handle scene graphs due to varying numbers of nodes, multiple edge combinations, and manipulator-induced node-edge operations. EchoScene overcomes this by associating each node with a denoising process and enables collaborative information exchange, enhancing controllable and consistent generation aware of global constraints. This is achieved through an information echo scheme in both shape and layout branches. At every denoising step, all processes share their denoising data with an information exchange unit that combines these updates using graph convolution. The scheme ensures that the denoising processes are influenced by a holistic understanding of the scene graph, facilitating the generation of globally coherent scenes. The resulting scenes can be manipulated during inference by editing the input scene graph and sampling the noise in the diffusion model. Extensive experiments validate our approach, which maintains scene controllability and surpasses previous methods in generation fidelity. Moreover, the generated scenes are of high quality and thus directly compatible with off-the-shelf texture generation. Our code and models are open-sourced.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Visual synthesis has recently seen significant leaps in performance, largely due to breakthroughs in generative models. Diffusion models have been a key enabler, as they excel in image diversity. However, this comes at the cost of slow training and synthesis, which is only partially alleviated by latent diffusion. To this end, flow matching is an appealing approach due to its complementary characteristics of faster training and inference but less diverse synthesis. We demonstrate our FMBoost approach, which introduces flow matching between a frozen diffusion model and a convolutional decoder that enables high-resolution image synthesis at reduced computational cost and model size. A small diffusion model can then effectively provide the necessary visual diversity, while flow matching efficiently enhances resolution and detail by mapping the small to a high-dimensional latent space, producing high-resolution images. Combining the diversity of diffusion models, the efficiency of flow matching, and the effectiveness of convolutional decoders, state-of-the-art high-resolution image synthesis is achieved at 10242 pixels with minimal computational cost. Cascading FMBoost optionally boosts this further to 20482 pixels. Importantly, this approach is orthogonal to recent approximation and speed-up strategies for the underlying model, making it easily integrable into the various diffusion model frameworks.
Historical monuments are a treasure and milestone of cultural heritage. Reconstructing the 3D models of these buildings holds significant value. The rapid development of neural rendering methods makes it possible to recover the original 3D shape exclusively based on archival photographs. However, this task presents considerable challenges due to the properties of available color images. Historical pictures are often limited in number and the scenes in these photos might have altered over time. The radiometric quality of these images is often sub-optimal for using automatic methods. To address these challenges, we introduce an approach to reconstruct the geometry of historical buildings from limited input images. We leverage dense point clouds as a geometric prior and introduce a color appearance embedding loss in volumetric rendering to recover the color of the building. We aim for our work to spark increased interest and focus on preserving historic buildings. Together with the proposed method, we introduce a new historical dataset of the Hungarian National Theater, providing a new benchmark for 3D reconstruction.
Neural implicits are a widely used surface presentation because they offer an adaptive resolution and support arbitrary topology changes. While previous works rely on ground truth point clouds or meshes, they often do not discuss the data acquisition and ignore the effect of input quality and sampling methods during reconstruction. In this paper, we introduce a sampling method with an uncertainty-augmented surface implicit representation that employs a sampling technique that considers the geometric characteristics of inputs. To this end, we introduce a strategy that efficiently computes differentiable geometric features, namely, mean curvatures, to guide the sampling phase during the training period. The uncertainty augmentation offers insights into the occupancy and reliability of the output signed distance value, thereby expanding representation capabilities into open surfaces. Finally, we demonstrate that our method improves the reconstruction of both synthetic and real-world data.
This dissertation lays mathematical foundations for the numerical analysis of interacting multi-particle systems in the setting of optimization. While such systems are of paramount importance in and beyond applied mathematics, their rigorous analysis largely remained elusive. Given the necessity for capable, reliable, and robust algorithms with informative and solid convergence guarantees, we provide an analytical framework that builds upon insights obtained by taking a mean-field perspective.
Over the last few years, debiased estimators have been proposed in order to establish rigorous confidence intervals for high-dimensional problems in machine learning and data science. The core argument is that the error of these estimators with respect to the ground truth can be expressed as a Gaussian variable plus a remainder term that vanishes as long as the dimension of the problem is sufficiently high. Thus, uncertainty quantification (UQ) can be performed exploiting the Gaussian model. Empirically, however, the remainder term cannot be neglected in many realistic situations of moderately-sized dimensions, in particular in certain structured measurement scenarios such as Magnetic Resonance Imaging (MRI). This, in turn, can downgrade the advantage of the UQ methods as compared to non-UQ approaches such as the standard LASSO. In this paper, we present a method to improve the debiased estimator by sampling without replacement. Our approach leverages recent results of ours on the structure of the random nature of certain sampling schemes showing how a transition between sampling with and without replacement can lead to a weighted reconstruction scheme with improved performance for the standard LASSO. In this paper, we illustrate how this reweighted sampling idea can also improve the debiased estimator and, consequently, provide a better method for UQ in Fourier imaging.
Mathematical Data Science and Artificial Intelligence
Recent works put forth the Unlimited Sensing Framework (USF), a novel approach to analog-to-digital conversion for high dynamic range sensing. It addresses the saturation phenomenon that commonly arises when physical measurements exceed the dynamic range of a sensor, yielding permanent loss of the input data. However, the USF still has some limitations when dealing with random noise. In the present paper, we propose a novel iterative method to tackle unlimited sensing in a noisy setting. In one step, our approach applies local transformations of the range to remove strong artifacts caused by the noise on local subdivisions of the domain. In the following step, the signal is then approximated via a least squares method. These two types of steps are then alternated. We illustrate the performances of our algorithm in high noise regime.
Imaging quality for biological tissue is commonly affected by damages of the specimen caused by illumination particles. To mitigate this issue, often very low doses of illumination have to be used in the experiment. Consequently, the resulting inverse problem is subject to highly noisy data. In this note, we address this issue for the case of diffraction imaging by studying the problem of phase retrieval with low-count Poisson data. Our key idea is to exploit the close connection between the Poisson measurement model and the one-bit quantization problem. We propose a reconstruction method based on algorithmic approaches to that problem and compare the performance of this method with state-of-the-art algorithms for noisy phase retrieval, observing superior performance in a number of relevant examples.
Recent studies have demonstrated the emerging capabilities of foundation models like ChatGPT in several fields, including affective computing. However, accessing these emerging capabilities is facilitated through prompt engineering. Despite the existence of some prompting techniques, the field is still rapidly evolving and many prompting ideas still require investigation. In this work, we introduce a method to evaluate and investigate the sensitivity of the performance of foundation models based on different prompts or generation parameters. We perform our evaluation on ChatGPT within the scope of affective computing on three major problems, namely sentiment analysis, toxicity detection, and sarcasm detection. First, we carry out a sensitivity analysis on pivotal parameters in auto-regressive text generation, specifically the temperature parameter T and the top-p parameter in Nucleus sampling, dictating how conservative or creative the model should be during generation. Furthermore, we explore the efficacy of several prompting ideas, where we explore how giving different incentives or structures affect the performance. Our evaluation takes into consideration performance measures on the affective computing tasks, and the effectiveness of the model to follow the stated instructions, hence generating easy-to-parse responses to be smoothly used in downstream applications.
Causal discovery amounts to learning a directed acyclic graph (DAG) that encodes a causal model. This model selection problem can be challenging due to its large combinatorial search space, particularly when dealing with non-parametric causal models. Recent research has sought to bypass the combinatorial search by reformulating causal discovery as a continuous optimization problem, employing constraints that ensure the acyclicity of the graph. In non-parametric settings, existing approaches typically rely on finite-dimensional approximations of the relationships between nodes, resulting in a score-based continuous optimization problem with a smooth acyclicity constraint. In this work, we develop an alternative approximation method by utilizing reproducing kernel Hilbert spaces (RKHS) and applying general sparsity-inducing regularization terms based on partial derivatives. Within this framework, we introduce an extended RKHS representer theorem. To enforce acyclicity, we advocate the log-determinant formulation of the acyclicity constraint and show its stability. Finally, we assess the performance of our proposed RKHS-DAGMA procedure through simulations and illustrative data analyses.
A fundamental challenge of scientific research is inferring causal relations based on observed data. One commonly used approach involves utilizing structural causal models that postulate noisy functional relations among interacting variables. A directed graph naturally represents these models and reflects the underlying causal structure. However, classical identifiability results suggest that, without conducting additional experiments, this causal graph can only be identified up to a Markov equivalence class of indistinguishable models. Recent research has shown that focusing on linear relations with equal error variances can enable the identification of the causal structure from mere observational data. Nonetheless, practitioners are often primarily interested in the effects of specific interventions, rendering the complete identification of the causal structure unnecessary. In this work, we investigate the extent to which less restrictive assumptions of partial homoscedasticity are sufficient for identifying the causal effects of interest. Furthermore, we construct mathematically rigorous confidence regions for total causal effects under structure uncertainty and explore the performance gain of relying on stricter error assumptions in a simulation study.
Mathematical Statistics
The surge of frameworks for automated unsupervised clustering problems exposed the notable gap in performance assessment, unified datasets and methodologies for this field. The lack of standardization and proper clustering goal setting obscures the applicability and suitability of such solutions. Therefore, we propose a benchmark to bridge this gap by offering a comparative analysis of AutoML frameworks for clustering, using several criteria and a comprehensive set of benchmarking problems. Four prominent AutoML unsupervised frameworks (AutoML4Clust, Autocluster, cSmartML, and ML2DAC) were compared following our methodology. By extending the evaluation beyond quantitative metrics, this research contributes to a more nuanced understanding of the applicability and performance of AutoML for a diverse set of clustering problems. Our analysis shows the evident demand for effort in the direction of pipeline synthesis (i.e., search and optimization of complete pipelines), clustering goal definition and suitable analysis dimensions.
Database Systems and Data Mining
We study the robustness of global post-hoc explanations for predictive models trained on tabular data. Effects of predictor features in black-box supervised learning are an essential diagnostic tool for model debugging and scientific discovery in applied sciences. However, how vulnerable they are to data and model perturbations remains an open research question. We introduce several theoretical bounds for evaluating the robustness of partial dependence plots and accumulated local effects. Our experimental results with synthetic and real-world datasets quantify the gap between the best and worst-case scenarios of (mis)interpreting machine learning predictions globally.
Statistical Learning and Data Science
Statistical Learning and Data Science
In this work, we study the influence of domain-specific characteristics when defining a meaningful notion of predictive uncertainty on graph data. Previously, the so-called Graph Posterior Network (GPN) model has been proposed to quantify uncertainty in node classification tasks. Given a graph, it uses Normalizing Flows (NFs) to estimate class densities for each node independently and converts those densities into Dirichlet pseudo-counts, which are then dispersed through the graph using the personalized Page-Rank (PPR) algorithm. The architecture of GPNs is motivated by a set of three axioms on the properties of its uncertainty estimates. We show that those axioms are not always satisfied in practice and therefore propose the family of Committe-based Uncertainty Quantification Graph Neural Networks (CUQ-GNNs), which combine standard Graph Neural Networks (GNNs) with the NF-based uncertainty estimation of Posterior Networks (PostNets). This approach adapts more flexibly to domain-specific demands on the properties of uncertainty estimates. We compare CUQ-GNN against GPN and other uncertainty quantification approaches on common node classification benchmarks and show that it is effective at producing useful uncertainty estimates.
Automated machine learning (AutoML) allows for selecting, parametrizing, and composing learning algorithms for a given data set. While resources play a pivotal role in neural architecture search, it is less pronounced by classical AutoML approaches. In fact, they generally focus on only maximizing predictive quality and disregard the importance of finding resource-efficient solutions. To push resource awareness further, our work explicitly explores how measures such as running time or energy consumption can be better considered in AutoML. Firstly, we propose a novel method for algorithm selection that balances multiple performance aspects (including resource demand) as prioritized by the user with the help of compositional meta-learning. Secondly, to foster research on green meta-learning and AutoML, we release the MetaQuRe data set, which contains information on predictive (Qu)ality and (Re)source consumption of models evaluated across hundreds of data sets and four execution environments. We use this data to put our methodology into practice and conduct an in-depth analysis of how our approach and data set can help in making AutoML more resource-aware, which represents our third contribution. Lastly, we publish MetaQuRe alongside an extensive code base, allowing for reproducing all results, expanding our data with results from custom environments, and exploring MetaQuRe interactively. In short, our work demonstrates both the importance as well as benefits of rethinking AutoML and meta-learning in a resource-aware way, thus paving the path for making future ML solutions more sustainable.
We propose FALCUN, a novel deep batch active learning method that is label- and time-efficient. Our proposed acquisition uses a natural, self-adjusting balance of uncertainty and diversity: It slowly transitions from emphasizing uncertain instances at the decision boundary to emphasizing batch diversity. In contrast, established deep active learning methods often have a fixed weighting of uncertainty and diversity, limiting their effectiveness over diverse data sets exhibiting different characteristics. Moreover, to increase diversity, most methods demand intensive search through a deep neural network’s high-dimensional latent embedding space. This leads to high acquisition times when experts are idle while waiting for the next batch for annotation. We overcome this structural problem by exclusively operating on the low-dimensional probability space, yielding much faster acquisition times without sacrificing label efficiency. In extensive experiments, we show FALCUN’s suitability for diverse use cases, including medical images and tabular data. Compared to state-of-the-art methods like BADGE, CLUE, and AlfaMix, FALCUN consistently excels in quality and speed: while FALCUN is among the fastest methods, it has the highest average label efficiency.
Database Systems and Data Mining
Mining data containing density-based clusters is well-established and widespread but faces problems when it comes to systematic and reproducible comparison and evaluation. Although the success of clustering methods hinges on data quality and availability, reproducibly generating suitable data for this setting is not easy, leading to mostly low-dimensional toy datasets being used. To resolve this issue, we propose DENSIRED (DENSIty-based Reproducible Experimental Data), a novel data generator for data containing density-based clusters. It is highly flexible w.r.t. a large variety of properties of the data and produces reproducible datasets in a two-step approach. First, skeletons of the clusters are constructed following a random walk. In the second step, these skeletons are enriched with data samples. DENSIRED enables the systematic generation of data for a robust and reliable analysis of methods aimed toward examining data containing density-connected clusters. In extensive experiments, we analyze the impact of user-defined properties on the generated datasets and the intrinsic dimensionalities of synthesized clusters.
Current state-of-the-art dialogue systems heavily rely on extensive training datasets. However, challenges arise in domains where domain-specific training datasets are insufficient or entirely absent. To tackle this challenge, we propose a novel data Augmentation framework for Multi-Domain Dialogue Generation, referred to as AMDG. The AMDG framework consists of a data augmentation process and a two-stage training approach: domain-agnostic training and domain adaptation training. We posit that domain corpora are a blend of domain-agnostic and domain-specific features, with certain representation patterns shared among diverse domains. Domain-agnostic training aims to enable models to learn these common expressive patterns. To construct domain-agnostic dialogue corpora, we employ a de-domaining data processing technique used to remove domain-specific features. By mitigating the effects of domain-specific features, the model trained on the de-domained corpora can effectively learn common expression patterns in different domains. Subsequently, we adapt the learned domain-agnostic features to the target domain through domain adaptation training. We conduct experiments on Chinese dialogue datasets from five different domains and show that AMDG achieves superior performance compared to both direct training on the target domain corpus and collective training on all five domain corpora. Our work underscores AMDG as a viable alternative solution for low-resource multi-domain dialogue generation.
Self-contrastive learning has proven effective for vision and natural language tasks. It aims to learn aligned data representations by encoding similar and dissimilar sentence pairs without human annotation. Therefore, data augmentation plays a crucial role in the learned embedding quality. However, in natural language processing (NLP), creating augmented samples for unsupervised contrastive learning is challenging since random editing may modify the semantic meanings of sentences and thus affect learning good representations. In this paper, we introduce a simple, still effective approach dubbed ADD (Attention-Driven Dropout) to generate better-augmented views of sentences to be used in self-contrastive learning. Given a sentence and a Pre-trained Transformer Language Model (PLM), such as RoBERTa, we use the aggregated attention scores of the PLM to remove the less “informative” tokens from the input. We consider two alternative algorithms based on NAIVEAGGREGATION across layers/heads and ATTENTIONROLLOUT [1]. Our approach significantly improves the overall performance of various self-supervised contrastive-based methods, including SIMCSE [14], DIFFCSE [10], and INFOCSE [33] by facilitating the generation of high-quality positive pairs required by these methods. Through empirical evaluations on multiple Semantic Textual Similarity (STS) and Transfer Learning tasks, we observe enhanced performance across the board.
Statistical Learning and Data Science
Statistical Learning and Data Science
Ensembling a neural network is a widely recognized approach to enhance model performance, estimate uncertainty, and improve robustness in deep supervised learning. However, deep ensembles often come with high computational costs and memory demands. In addition, the efficiency of a deep ensemble is related to diversity among the ensemble members, which is challenging for large, over-parameterized deep neural networks. Moreover, ensemble learning has not yet seen such widespread adoption for unsupervised learning and it remains a challenging endeavor for self-supervised or unsupervised representation learning. Motivated by these challenges, we present a novel self-supervised training regime that leverages an ensemble of independent sub-networks, complemented by a new loss function designed to encourage diversity. Our method efficiently builds a sub-model ensemble with high diversity, leading to well-calibrated estimates of model uncertainty, all achieved with minimal computational overhead compared to traditional deep self-supervised ensembles. To evaluate the effectiveness of our approach, we conducted extensive experiments across various tasks, including in-distribution generalization, out-of-distribution detection, dataset corruption, and semi-supervised settings. The results demonstrate that our method significantly improves prediction reliability. Our approach not only achieves excellent accuracy but also enhances calibration, improving on important baseline performance across a wide range of self-supervised architectures in computer vision, natural language processing, and genomics data.
Statistical Learning and Data Science
Hüseyin Anil Gündüz
* Former Member
Statistical Learning and Data Science
Statistical Learning and Data Science
In dynamic machine learning environments, where data streams continuously evolve, traditional explanation methods struggle to remain faithful to the underlying model or data distribution. Therefore, this work presents a unified framework for efficiently computing incremental model-agnostic global explanations tailored for time-dependent models. By extending static model-agnostic methods such as Permutation Feature Importance, SAGE, and Partial Dependence Plots into the online learning context, the proposed framework enables the continuous updating of explanations as new data becomes available. These incremental variants ensure that global explanations remain relevant while minimizing computational overhead. The framework also addresses key challenges related to data distribution maintenance and perturbation generation in online learning, offering time and memory efficient solutions like geometric reservoir-based sampling for data replacement.
Artificial Intelligence and Machine Learning
We present a prototype for the integration of HTR transcription and semi-automated markup of textual features in the eScriptorium GUI.
As artificial intelligence becomes increasingly pervasive, it is essential that we understand the implications of bias in machine learning. Many developers rely on crowd workers to generate and annotate datasets for machine learning applications. However, this step risks embedding training data with labeler bias, leading to biased decision-making in systems trained on these datasets. To characterize labeler bias, we created a face dataset and conducted two studies where labelers of different ethnicity and sex completed annotation tasks. In the first study, labelers annotated subjective characteristics of faces. In the second, they annotated images using bounding boxes. Our results demonstrate that labeler demographics significantly impact both subjective and accuracy-based annotations, indicating that collecting a diverse set of labelers may not be enough to solve the problem. We discuss the consequences of these findings for current machine learning practices to create fair and unbiased systems.
Process mining solutions include enhancing performance, conserving resources, and alleviating bottlenecks in organizational contexts. However, as in other data mining fields, success hinges on data quality and availability. Existing analyses for process mining solutions lack diverse and ample data for rigorous testing, hindering insights’ generalization. To address this, we propose Generating Event Data with Intentional features, a framework producing event data sets satisfying specific meta-features. Considering the meta-feature space that defines feasible event logs, we observe that existing real-world datasets describe only local areas within the overall space. Hence, our framework aims at providing the capability to generate an event data benchmark, which covers unexplored regions. Therefore, our approach leverages a discretization of the meta-feature space to steer generated data towards regions, where a combination of meta-features is not met yet by existing benchmark datasets. Providing a comprehensive data pool enriches process mining analyses, enables methods to capture a wider range of real-world scenarios, and improves evaluation quality. Moreover, it empowers analysts to uncover correlations between meta-features and evaluation metrics, enhancing explainability and solution effectiveness. Experiments demonstrate GEDI’s ability to produce a benchmark of intentional event data sets and robust analyses for process mining tasks.
Database Systems and Data Mining
Process simulation is gaining attention for its ability to assess potential performance improvements and risks associated with business process changes. The existing literature presents various techniques, generally grounded in process models discovered from event log data or built upon deep learning algorithms. These techniques have specific strengths and limitations. Traditional data-driven approaches offer increased interpretability, while deep learning-based excel at generalizing changes across large event logs. However, the practical application of deep learning faces challenges related to managing stochasticity and integrating information for what-if analysis. This paper introduces a novel recurrent neural architecture tailored to discover COnditioned process Simulation MOdels (CoSMo) based on user-based constraints or any other nature of a-priori knowledge. This architecture facilitates the simulation of event logs that adhere to specific constraints by incorporating declarative-based rules into the learning phase as an attempt to fill the gap of incorporating information into deep learning models to perform what-if analysis. Experimental validation illustrates CoSMo’s efficacy in simulating event logs while adhering to predefined declarative conditions, emphasizing both control-flow and data-flow perspectives.
Database Systems and Data Mining
Background: Random forests have become popular for clinical risk prediction modeling. In a case study on predicting ovarian malignancy, we observed training AUCs close to 1. Although this suggests overfitting, performance was competitive on test data. We aimed to understand the behavior of random forests for probability estimation by (1) visualizing data space in three real-world case studies and (2) a simulation study.
Methods: For the case studies, multinomial risk estimates were visualized using heatmaps in a 2-dimensional subspace. The simulation study included 48 logistic data-generating mechanisms (DGM), varying the predictor distribution, the number of predictors, the correlation between predictors, the true AUC, and the strength of true predictors. For each DGM, 1000 training datasets of size 200 or 4000 with binary outcomes were simulated, and random forest models were trained with minimum node size 2 or 20 using the ranger R package, resulting in 192 scenarios in total. Model performance was evaluated on large test datasets (N = 100,000).
Results: The visualizations suggested that the model learned “spikes of probability” around events in the training set. A cluster of events created a bigger peak or plateau (signal), isolated events local peaks (noise). In the simulation study, median training AUCs were between 0.97 and 1 unless there were 4 binary predictors or 16 binary predictors with a minimum node size of 20. The median discrimination loss, i.e., the difference between the median test AUC and the true AUC, was 0.025 (range 0.00 to 0.13). Median training AUCs had Spearman correlations of around 0.70 with discrimination loss. Median test AUCs were higher with higher events per variable, higher minimum node size, and binary predictors. Median training calibration slopes were always above 1 and were not correlated with median test slopes across scenarios (Spearman correlation − 0.11). Median test slopes were higher with higher true AUC, higher minimum node size, and higher sample size.
Conclusions: Random forests learn local probability peaks that often yield near perfect training AUCs without strongly affecting AUCs on test data. When the aim is probability estimation, the simulation results go against the common recommendation to use fully grown trees in random forest models.
Biometry in Molecular Medicine
Background: Predictive modeling based on multi-omics data, which incorporates several types of omics data for the same patients, has shown potential to outperform single-omics predictive modeling. Most research in this domain focuses on incorporating numerous data types, despite the complexity and cost of acquiring them. The prevailing assumption is that increasing the number of data types necessarily improves predictive performance. However, the integration of less informative or redundant data types could potentially hinder this performance. Therefore, identifying the most effective combinations of omics data types that enhance predictive performance is critical for cost-effective and accurate predictions.
Methods: In this study, we systematically evaluated the predictive performance of all 31 possible combinations including at least one of five genomic data types (mRNA, miRNA, methylation, DNAseq, and copy number variation) using 14 cancer datasets with right-censored survival outcomes, publicly available from the TCGA database. We employed various prediction methods and up-weighted clinical data in every model to leverage their predictive importance. Harrell’s C-index and the integrated Brier Score were used as performance measures. To assess the robustness of our findings, we performed a bootstrap analysis at the level of the included datasets. Statistical testing was conducted for key results, limiting the number of tests to ensure a low risk of false positives.
Results: Contrary to expectations, we found that using only mRNA data or a combination of mRNA and miRNA data was sufficient for most cancer types. For some cancer types, the additional inclusion of methylation data led to improved prediction results. Far from enhancing performance, the introduction of more data types most often resulted in a decline in performance, which varied between the two performance measures.
Conclusions: Our findings challenge the prevailing notion that combining multiple omics data types in multi-omics survival prediction improves predictive performance. Thus, the widespread approach in multi-omics prediction of incorporating as many data types as possible should be reconsidered to avoid suboptimal prediction results and unnecessary expenditure.
Biometry in Molecular Medicine
Images and videos are widely used to elicit emotions; however, their visual appeal differs from real-world experiences. With virtual reality becoming more realistic, immersive, and interactive, we envision virtual environments to elicit emotions effectively, rapidly, and with high ecological validity. This work presents the first interactive virtual reality dataset to elicit emotions. We created five interactive virtual environments based on corresponding validated 360° videos and validated their effectiveness with 160 participants. Our results show that our virtual environments successfully elicit targeted emotions. Compared with the existing methods using images or videos, our dataset allows virtual reality researchers and practitioners to integrate their designs effectively with emotion elicitation settings in an immersive and interactive way.
Foundation models have shown great promise in speech emotion recognition (SER) by leveraging their pre-trained representations to capture emotion patterns in speech signals. To further enhance SER performance across various languages and domains, we propose a novel twofold approach. First, we gather EmoSet++, a comprehensive multi-lingual, multi-cultural speech emotion corpus with 37 datasets, 150,907 samples, and a total duration of 119.5 hours. Second, we introduce ExHuBERT, an enhanced version of HuBERT achieved by backbone extension and fine-tuning on EmoSet++. We duplicate each encoder layer and its weights, then freeze the first duplicate, integrating an extra zero-initialized linear layer and skip connections to preserve functionality and ensure its adaptability for subsequent fine-tuning. Our evaluation on unseen datasets shows the efficacy of ExHuBERT, setting a new benchmark for various SER tasks.
Flattery is an important aspect of human communication that facilitates social bonding, shapes perceptions, and influences behavior through strategic compliments and praise, leveraging the power of speech to build rapport effectively. Its automatic detection can thus enhance the naturalness of human-AI interactions. To meet this need, we present a novel audio textual dataset comprising 20 hours of speech and train machine learning models for automatic flattery detection. In particular, we employ pretrained AST, Wav2Vec2, and Whisper models for the speech modality, and Whisper TTS models combined with a RoBERTa text classifier for the textual modality. Subsequently, we build a multimodal classifier by combining text and audio representations. Evaluation on unseen test data demonstrates promising results, with Unweighted Average Recall scores reaching 82.46% in audio-only experiments, 85.97% in text-only experiments, and 87.16% using a multimodal approach.
In emergency medicine, timely intervention for patients at risk of suicide is often hindered by delayed access to specialised psychiatric care. To bridge this gap, we introduce a speech-based approach for automatic suicide risk assessment. Our study involves a novel dataset comprising speech recordings of 20 patients who read neutral texts. We extract four speech representations encompassing interpretable and deep features. Further, we explore the impact of gender-based modelling and phrase-level normalisation. By applying gender-exclusive modelling, features extracted from an emotion fine-tuned wav2vec2.0 model can be utilised to discriminate high- from low-suicide risk with a balanced accuracy of 81%. Finally, our analysis reveals a discrepancy in the relationship of speech characteristics and suicide risk between female and male subjects. For men in our dataset, suicide risk increases together with agitation while voice characteristics of female subjects point the other way.
Speech-based machine learning models that can distinguish between a healthy cognitive state and different stages of cognitive decline would enable a more appropriate and timely treatment of patients. However, their development is often hampered by data scarcity. Federated Learning (FL) is a potential solution that could enable entities with limited voice recordings to collectively build effective models. Motivated by this, we compare centralised, local, and federated learning for building speech-based models to discern Alzheimer’s Disease, Mild Cognitive Impairment, and a healthy state. For a more realistic evaluation, we use three independently collected datasets to simulate healthcare institutions employing these strategies. Our initial analysis shows that FL may not be the best solution in every scenario, as performance improvements are not guaranteed even with small amounts of available data, and further research is needed to determine the conditions under which it is beneficial.
Post-traumatic Stress Disorder (PTSD) is a mental condition that develops as a result of catastrophic events. Triggers for this may include experiences, such as military combat, natural disasters, or sexual abuse, having a great influence on the mental wellbeing. Due to the severity of this condition, early detection and professional treatment is crucial. For this reason, previous research explored prediction models for recognising PTSD at an early stage. However, when these models are transferred from research to real-world applications, they face heterogeneous environments (e. g., different recording settings, various dialects or languages). To analyse this effect, we develop a speech-based PTSD recognition model and subsequently analyse its cross-corpus and cross-linguistic performance. Our experiments indicate that there are cross-cultural factors influencing PTSD and leading to a best area under the ROC curve (AUC) of 70.1% evaluated cross-corpus.
Uncertainty Quantification (UQ) is an important building block for the reliable use of neural networks in real-world scenarios, as it can be a useful tool in identifying faulty predictions. Speech emotion recognition (SER) models can suffer from particularly many sources of uncertainty, such as the ambiguity of emotions, Out-of-Distribution (OOD) data or, in general, poor recording conditions. Reliable UQ methods are thus of particular interest as in many SER applications no prediction is better than a faulty prediction. While the effects of label ambiguity on uncertainty are well documented in the literature, we focus our work on an evaluation of UQ methods for SER under common challenges in real-world application, such as corrupted signals, and the absence of speech. We show that simple UQ methods can already give an indication of the uncertainty of a prediction and that training with additional OOD data can greatly improve the identification of such signals.
Attention-deficit/hyperactivity disorder (ADHD) exerts a psychological burden not only on affected individuals but also on their social support systems. Of particular interest are the parents, who often face challenges related to their child’s condition, including its impact on their own mental well-being. The interaction among the child’s symptomatology, parental mental health, and the parent-child relationship is a crucial area of investigation. Expressed Emotion (EE), as assessed through the Preschool Five Minute Speech Sample (PFMSS), serves as a valuable measure. However, manual annotation of EE can be cumbersome and impractical for continuous monitoring. To address this, we propose leveraging machine learning methods. This study presents an initial exploration into predicting children’s ADHD diagnosis using linguistic and paralinguistic features derived from the PFMSS. Despite achieving a UAR score of 67.1%, our results have not surpassed the performance of manually annotated EE.
We revisit the INTERSPEECH 2009 Emotion Challenge – the first ever speech emotion recognition (SER) challenge – and evaluate a series of deep learning models that are representative of the major advances in SER research in the time since then. We start by training each model using a fixed set of hyperparameters, and further fine-tune the best-performing models of that initial setup with a grid search. Results are always reported on the official test set with a separate validation set only used for early stopping. Most models score below or close to the official baseline, while they marginally outperform the original challenge winners after hyperparameter tuning. Our work illustrates that, despite recent progress, FAU-AIBO remains a very challenging benchmark. An interesting corollary is that newer methods do not consistently outperform older ones, showing that progress towards ‘solving’ SER is not necessarily monotonic.
The expression of emotion is highly individualistic. However, contemporary speech emotion recognition (SER) systems typically rely on population-level models that adopt a ‘one-size-fits-all’ approach for predicting emotion. Moreover, standard evaluation practices measure performance also on the population level, thus failing to characterise how models work across different speakers. In the present contribution, we present a new method for capitalising on individual differences to adapt an SER model to each new speaker using a minimal set of enrolment utterances. In addition, we present novel evaluation schemes for measuring fairness across different speakers. Our findings show that aggregated evaluation metrics may obfuscate fairness issues on the individual-level, which are uncovered by our evaluation, and that our proposed method can improve performance both in aggregated and disaggregated terms.
Affective computing (AC), like most other areas of computational research, has benefited tremendously from advances in deep learning (DL). These advances have opened up new horizons in AC research and practice. Yet, as DL dominates the community’s attention, there is a danger of overlooking other emerging trends in artificial intelligence (AI) research. Furthermore, over-reliance on one particular technology may lead to stagnating progress. In an attempt to foster the exploration of complementary directions, we provide a concise, easily digestible overview of emerging trends in AI research that stand to play a vital role in solving some of the remaining challenges in AC research. Our overview is driven by the limitations of the current state of the art as it pertains to AC.
Neural network models for audio tasks, such as automatic speech recognition (ASR) and acoustic scene classification (ASC), are susceptible to noise contamination for real-life applications. To improve audio quality, an enhancement module, which can be developed independently, is explicitly used at the front-end of the target audio applications. In this paper, we present an end-to-end learning solution to jointly optimise the models for audio enhancement (AE) and the subsequent applications. To guide the optimisation of the AE module towards a target application, and especially to overcome difficult samples, we make use of the sample-wise performance measure as an indication of sample importance. In experiments, we consider four representative applications to evaluate our training paradigm, i.e., ASR, speech command recognition (SCR), speech emotion recognition (SER), and ASC. These applications are associated with speech and nonspeech tasks concerning semantic and non-semantic features, transient and global information, and the experimental results indicate that our proposed approach can considerably boost the noise robustness of the models, especially at low signal-to-noise ratios, for a wide range of computer audition tasks in everyday-life noisy environments.
Background: Long-lasting efforts have been made to reduce radiation dose and thus the potential radiation risk to the patient for computed tomography (CT) acquisitions without severe deterioration of image quality. To this end, various techniques have been employed over the years including iterative reconstruction methods and noise reduction algorithms.
Purpose: Recently, deep learning-based methods for noise reduction became increasingly popular and a multitude of papers claim ever improving performance both quantitatively and qualitatively. However, the lack of a standardized benchmark setup and inconsistencies in experimental design across studies hinder the verifiability and reproducibility of reported results.
Methods: In this study, we propose a benchmark setup to overcome those flaws and improve reproducibility and verifiability of experimental results in the field. We perform a comprehensive and fair evaluation of several state-of-the-art methods using this standardized setup.
Results: Our evaluation reveals that most deep learning-based methods show statistically similar performance, and improvements over the past years have been marginal at best.
Conclusions: This study highlights the need for a more rigorous and fair evaluation of novel deep learning-based methods for low-dose CT image denoising. Our benchmark setup is a first and important step towards this direction and can be used by future researchers to evaluate their algorithms.
Rare genetic variants can have strong effects on phenotypes, yet accounting for rare variants in genetic analyses is statistically challenging due to the limited number of allele carriers and the burden of multiple testing. While rich variant annotations promise to enable well-powered rare variant association tests, methods integrating variant annotations in a data-driven manner are lacking. Here we propose deep rare variant association testing (DeepRVAT), a model based on set neural networks that learns a trait-agnostic gene impairment score from rare variant annotations and phenotypes, enabling both gene discovery and trait prediction. On 34 quantitative and 63 binary traits, using whole-exome-sequencing data from UK Biobank, we find that DeepRVAT yields substantial gains in gene discoveries and improved detection of individuals at high genetic risk. Finally, we demonstrate how DeepRVAT enables calibrated and computationally efficient rare variant tests at biobank scale, aiding the discovery of genetic risk factors for human disease traits.
Objective. This study aimed to develop convolutional neural networks (CNNs) models to predict the energy expenditure (EE) of children from raw accelerometer data. Additionally, this study sought to external validation of the CNN models in addition to the linear regression (LM), random forest (RF), and full connected neural network (FcNN) models published in Steenbock et al (2019 J. Meas. Phys. Behav. 2 94–102). Approach. Included in this study were 41 German children (3.0–6.99 years) for the training and internal validation who were equipped with GENEActiv, GT3X+, and activPAL accelerometers. The external validation dataset consisted of 39 Canadian children (3.0–5.99 years) that were equipped with OPAL, GT9X, GENEActiv, and GT3X+ accelerometers. EE was recorded simultaneously in both datasets using a portable metabolic unit. The protocols consisted of a semi-structured activities ranging from low to high intensities. The root mean square error (RMSE) values were calculated and used to evaluate model performances. Main results. (1) The CNNs outperformed the LM (13.17%–23.81% lower mean RMSE values), FcNN (8.13%–27.27% lower RMSE values) and the RF models (3.59%–18.84% lower RMSE values) in the internal dataset. (2) In contrast, it was found that when applied to the external Canadian dataset, the CNN models had consistently higher RMSE values compared to the LM, FcNN, and RF. Significance. Although CNNs can enhance EE prediction accuracy, their ability to generalize to new datasets and accelerometer brands/models, is more limited compared to LM, RF, and FcNN models.
Statistical Learning and Data Science
Unsupervised semantic segmentation aims to automatically partition images into semantically meaningful regions by identifying global semantic categories within an image corpus without any form of annotation. Building upon recent advances in self-supervised representation learning, we focus on how to leverage these large pre-trained models for the downstream task of unsupervised segmentation. We present PriMaPs - Principal Mask Proposals - decomposing images into semantically meaningful masks based on their feature representation. This allows us to realize unsupervised semantic segmentation by fitting class prototypes to PriMaPs with a stochastic expectation-maximization algorithm, PriMaPs-EM. Despite its conceptual simplicity, PriMaPs-EM leads to competitive results across various pre-trained backbone models, including DINO and DINOv2, and across different datasets, such as Cityscapes, COCO-Stuff, and Potsdam-3. Importantly, PriMaPs-EM is able to boost results when applied orthogonally to current state-of-the-art unsupervised semantic segmentation pipelines.
Computer Vision & Artificial Intelligence
We study the piecewise-stationary dueling bandits problem with arms, where the time horizon consists of stationary segments, each of which is associated with its own preference matrix. The learner repeatedly selects a pair of arms and observes a binary preference between them as feedback. To minimize the accumulated regret, the learner needs to pick the Condorcet winner of each stationary segment as often as possible, despite preference matrices and segment lengths being unknown. We propose the Beat the Winner Reset algorithm and prove a bound on its expected binary weak regret in the stationary case, which tightens the bound of current state-of-art algorithms. We also show a regret bound for the non-stationary case, without requiring knowledge of or . We further propose and analyze two meta-algorithms, DETECT for weak regret and Monitored Dueling Bandits for strong regret, both based on a detection-window approach that can incorporate any dueling bandit algorithm as a black-box algorithm. Finally, we prove a worst-case lower bound for expected weak regret in the non-stationary case.
Artificial Intelligence and Machine Learning
We propose an algorithm for optimizing the parameters of single hidden layer neural networks. Specifically, we derive a blockwise difference-of-convex (DC) functions representation of the objective function. Based on the latter, we propose a block coordinate descent (BCD) approach that we combine with a tailored difference-of-convex functions algorithm (DCA). We prove global convergence of the proposed algorithm. Furthermore, we mathematically analyze the convergence rate of parameters and the convergence rate in value (i.e., the training loss). We give conditions under which our algorithm converges linearly or even faster depending on the local shape of the loss function. We confirm our theoretical derivations numerically and compare our algorithm against state-of-the-art gradient-based solvers in terms of both training loss and test loss.
Artificial Intelligence in Management
This study analyzes immune responses to SARS-CoV-2 vaccination and infection, including asymptomatic cases, focusing on infection risks during the Omicron wave, particularly among high-risk healthcare workers. In the KoCo-Impf study, we monitored 6088 vaccinated participants in Munich aged 18 and above. From 13 May to 31 July 2022, 2351 participants were follow-uped. Logistic regression models evaluated primary, secondary, and breakthrough infections (BTIs). Roche Elecsys® Anti-SARS-CoV-2 assays detected prior infections (via anti-Nucleocapsid antibodies) and assessed vaccination/infection impact (via anti-Spike antibodies) using dried blood spots. Our findings revealed an anti-Nucleocapsid seroprevalence of 44.1%. BTIs occurred in 38.8% of participants, with reinfections in 48.0%. Follow-up participation was inversely associated with current smoking and non-vaccination, while significantly increasing with age and receipt of three vaccine doses. Larger household sizes and younger age increased infection risks, whereas multiple vaccinations and older age reduced them. Household size and specific institutional subgroups were risk factors for BTIs. The anti-Nucleocapsid value prior to the second infection was significantly associated with reinfection risk. Institutional subgroups influenced all models, underscoring the importance of tailored outbreak responses. The KoCo-Impf study underscores the importance of vaccination, demographic factors, and institutional settings in understanding SARS-CoV-2 infection risks during the Omicron wave.
Statistical Consulting Unit (StaBLab)
Large language models (LLMs) are increasingly used in daily work. In this paper, we analyze whether training in prompt engineering can improve the interactions of users with LLMs. For this, we conducted a field experiment where we asked journalists to write short texts before and after training in prompt engineering. We then analyzed the effect of training on three dimensions: (1) the user experience of journalists when interacting with LLMs, (2) the accuracy of the texts (assessed by a domain expert), and (3) the reader perception, such as clarity, engagement, and other text quality dimensions (assessed by non-expert readers). Our results show: (1) Our training improved the perceived expertise of journalists but also decreased the perceived helpfulness of LLM use. (2) The effect on accuracy varied by the difficulty of the task. (3) There is a mixed impact of training on reader perception across different text quality dimensions.
Artificial Intelligence in Management
Artificial Intelligence in Management
The Problem-oriented AutoML in Clustering (PoAC) framework introduces a novel, flexible approach to automating clustering tasks by addressing the shortcomings of traditional AutoML solutions. Conventional methods often rely on predefined internal Clustering Validity Indexes (CVIs) and static meta-features, limiting their adaptability and effectiveness across diverse clustering tasks. In contrast, PoAC establishes a dynamic connection between the clustering problem, CVIs, and meta-features, allowing users to customize these components based on the specific context and goals of their task. At its core, PoAC employs a surrogate model trained on a large meta-knowledge base of previous clustering datasets and solutions, enabling it to infer the quality of new clustering pipelines and synthesize optimal solutions for unseen datasets. Unlike many AutoML frameworks that are constrained by fixed evaluation metrics and algorithm sets, PoAC is algorithm-agnostic, adapting seamlessly to different clustering problems without requiring additional data or retraining. Experimental results demonstrate that PoAC not only outperforms state-of-the-art frameworks on a variety of datasets but also excels in specific tasks such as data visualization, and highlight its ability to dynamically adjust pipeline configurations based on dataset complexity.
Database Systems and Data Mining
In prediction tasks with multi-class outcomes, identifying covariates specifically associated with one or more outcome classes can be important. Conventional variable importance measures (VIMs) from random forests (RFs), like permutation and Gini importance, focus on overall predictive performance or node purity, without differentiating between the classes. Therefore, they can be expected to fail to distinguish class-associated covariates from covariates that only distinguish between groups of classes. We introduce a VIM called multi-class VIM, tailored for identifying exclusively class-associated covariates, via a novel RF variant called multi forests (MuFs). The trees in MuFs use both multi-way and binary splitting. The multi-way splits generate child nodes for each class, using a split criterion that evaluates how well these nodes represent their respective classes. This setup forms the basis of the multi-class VIM, which measures the discriminatory ability of the splits performed in the respective covariates with regard to this split criterion. Alongside the multi-class VIM, we introduce a second VIM, the discriminatory VIM. This measure, based on the binary splits, assesses the strength of the general influence of the covariates, irrespective of their class-associatedness. Simulation studies demonstrate that the multi-class VIM specifically ranks class-associated covariates highly, unlike conventional VIMs which also rank other types of covariates highly. Analyses of 121 datasets reveal that MuFs often have slightly lower predictive performance compared to conventional RFs. This is, however, not a limiting factor given the algorithm’s primary purpose of calculating the multi-class VIM.
Biometry in Molecular Medicine
In this work, we introduce EMMA-500, a large-scale multilingual language model continue-trained on texts across 546 languages designed for enhanced multilingual performance, focusing on improving language coverage for low-resource languages. To facilitate continual pre-training, we compile the MaLA corpus, a comprehensive multilingual dataset enriched with curated datasets across diverse domains. Leveraging this corpus, we conduct extensive continual pre-training of the Llama 2 7B model, resulting in EMMA-500, which demonstrates robust performance across a wide collection of benchmarks, including a comprehensive set of multilingual tasks and PolyWrite, an open-ended generation benchmark developed in this study. Our results highlight the effectiveness of continual pre-training in expanding large language models’ language capacity, particularly for underrepresented languages, demonstrating significant gains in cross-lingual transfer, task generalization, and language adaptability.
While current emotional text-to-speech (TTS) systems can generate highly intelligible emotional speech, achieving fine control over emotion rendering of the output speech still remains a significant challenge. In this paper, we introduce ParaEVITS, a novel emotional TTS framework that leverages the compositionality of natural language to enhance control over emotional rendering. By incorporating a text-audio encoder inspired by ParaCLAP, a contrastive language-audio pretraining (CLAP) model for computational paralinguistics, the diffusion model is trained to generate emotional embeddings based on textual emotional style descriptions. Our framework first trains on reference audio using the audio encoder, then fine-tunes a diffusion model to process textual inputs from ParaCLAP’s text encoder. During inference, speech attributes such as pitch, jitter, and loudness are manipulated using only textual conditioning. Our experiments demonstrate that ParaEVITS effectively control emotion rendering without compromising speech quality. Speech demos are publicly available.
Instruction tuning enhances large language models (LLMs) by aligning them with human preferences across diverse tasks. Traditional approaches to create instruction tuning datasets face serious challenges for low-resource languages due to their dependence on data annotation. This work introduces a novel method, Multilingual Reverse Instructions (MURI), which generates high-quality instruction tuning datasets for low-resource languages without requiring human annotators or pre-existing multilingual models. Utilizing reverse instructions and a translation pipeline, MURI produces instruction-output pairs from existing human-written texts in low-resource languages. This method ensures cultural relevance and diversity by sourcing texts from different native domains and applying filters to eliminate inappropriate content. Our dataset, MURI-IT, includes more than 2 million instruction-output pairs across 200 languages. Evaluation by native speakers and fine-tuning experiments with mT5 models demonstrate the approach’s effectiveness for both NLU and open-ended generation.
Computational Linguistics
Diffusion models have recently achieved remarkable advancements in terms of image quality and fidelity to textual prompts. Concurrently, the safety of such generative models has become an area of growing concern. This work introduces a novel type of jailbreak, which triggers T2I models to generate the image with visual text, where the image and the text, although considered to be safe in isolation, combine to form unsafe content. To systematically explore this phenomenon, we propose a dataset to evaluate the current diffusion-based text-to-image (T2I) models under such jailbreak. We benchmark nine representative T2I models, including two close-source commercial models. Experimental results reveal a concerning tendency to produce unsafe content: all tested models suffer from such type of jailbreak, with rates of unsafe generation ranging from 8% to 74%. In real-world scenarios, various filters such as keyword blocklists, customized prompt filters, and NSFW image filters, are commonly employed to mitigate these risks. We evaluate the effectiveness of such filters against our jailbreak and found that, while current classifiers may be effective for single modality detection, they fail to work against our jailbreak. Our work provides a foundation for further development towards more secure and reliable T2I models.
Recent multilingual pretrained language models (mPLMs) often avoid using language embeddings – learnable vectors assigned to different languages. These embeddings are discarded for two main reasons: (1) mPLMs are expected to have a single, unified parameter set across all languages, and (2) they need to function seamlessly as universal text encoders without requiring language IDs as input. However, this removal increases the burden on token embeddings to encode all language-specific information, which may hinder the model’s ability to produce more language-neutral representations. To address this challenge, we propose Language-Script Aware Multilingual Pretraining (LangSAMP), a method that incorporates both language and script embeddings to enhance representation learning while maintaining a simple architecture. Specifically, we integrate these embeddings into the output of the transformer blocks before passing the final representations to the language modeling head for prediction. We apply LangSAMP to the continual pretraining of XLM-R on a highly multilingual corpus covering more than 500 languages. The resulting model consistently outperforms the baseline. Extensive analysis further shows that language/script embeddings encode language/script-specific information, which improves the selection of source languages for crosslingual transfer.
Contemporary research in autonomous driving has demonstrated tremendous potential in emulating the traits of human driving. However, they primarily cater to areas with well built road infrastructure and appropriate traffic management systems. Therefore, in the absence of traffic signals or in unstructured environments, these self-driving algorithms are expected to fail. This paper proposes a strategy for autonomously navigating multiple vehicles in close proximity to their desired destinations without traffic rules in unstructured environments. Graphical Neural Networks (GNNs) have demonstrated good utility for this task of multi-vehicle control. Among the different alternatives of training GNNs, supervised methods have proven to be most data-efficient, albeit require ground truth labels. However, these labels may not always be available, particularly in unstructured environments without traffic regulations. Therefore, a tedious optimization process may be required to determine them while ensuring that the vehicles reach their desired destination and do not collide with each other or any obstacles. Therefore, in order to expedite the training process, it is essential to reduce the optimization time and select only those samples for labeling that add most value to the training. In this paper, we propose a warm start method that first uses a pre-trained model trained on a simpler subset of data. Inference is then done on more complicated scenarios, to determine the hard samples wherein the model faces the greatest predicament. This is measured by the difficulty vehicles encounter in reaching their desired destination without collision. Experimental results demonstrate that mining for hard samples in this manner reduces the requirement for supervised training data by 10 fold.
Calculating the inverse kinematics (IK) is fundamental for motion planning in robotics. Compared to numerical or learning-based approaches, analytical IK provides higher efficiency and accuracy. However, existing analytical approaches require manual intervention, are ill-conditioned, or rely on time-consuming symbolic manipulation. In this paper, we propose a fast and stable method that enables automatic online derivation and computation of analytical inverse kinematics. Our approach is based on remodeling the kinematic chain of a manipulator to automatically decompose its IK into pre-solved geometric subproblems. We exploit intersecting and parallel joint axes to assign a given manipulator to a certain kinematic class and the corresponding subproblem decomposition. In numerical experiments, we demonstrate that our decomposition is orders of magnitudes faster in deriving the IK than existing tools that employ symbolic manipulation. Following this one-time derivation, our method matches and even surpasses baselines, such as IKFast, in terms of speed and accuracy during the online computation of explicit IK solutions. Finally, we provide a C++ toolbox with Python wrappers that, for the first time, enables plug-and-play analytical IK within less than a millisecond.
Autonomous exploration of unknown space is an essential component for the deployment of mobile robots in the real world. Safe navigation is crucial for all robotics applications and requires accurate and consistent maps of the robot’s surroundings. To achieve full autonomy and allow deployment in a wide variety of environments, the robot must rely on on-board state estimation which is prone to drift over time. We propose a Micro Aerial Vehicle (MAV) exploration framework based on local submaps to allow retaining global consistency by applying loop-closure corrections to the relative submap poses. To enable large-scale exploration we efficiently compute global, environment-wide frontiers from the local submap frontiers and use a sampling-based next-best-view exploration planner. Our method seamlessly supports using either a LiDAR sensor or a depth camera, making it suitable for different kinds of MAV platforms. We perform comparative evaluations in simulation against a state-of-the-art submap-based exploration framework to showcase the efficiency and reconstruction quality of our approach. Finally, we demonstrate the applicability of our method to real-world MAVs, one equipped with a LiDAR and the other with a depth camera.
The dawn of Foundation Models has on the one hand revolutionised a wide range of research problems, and, on the other hand, democratised the access and use of AI-based tools by the general public. We even observe an incursion of these models into disciplines related to human psychology, such as the Affective Computing domain, suggesting their affective, emerging capabilities. In this work, we aim to raise awareness of the power of Foundation Models in the field of Affective Computing by synthetically generating and analysing multimodal affective data, focusing on vision, linguistics, and speech (acoustics). We also discuss some fundamental problems, such as ethical issues and regulatory aspects, related to the use of Foundation Models in this research area.
When assessing the quality of prediction models in machine learning, confidence intervals (CIs) for the generalization error, which measures predictive performance, are a crucial tool. Luckily, there exist many methods for computing such CIs and new promising approaches are continuously being proposed. Typically, these methods combine various resampling procedures, most popular among them cross-validation and bootstrapping, with different variance estimation techniques. Unfortunately, however, there is currently no consensus on when any of these combinations may be most reliably employed and how they generally compare. In this work, we conduct the first large-scale study comparing CIs for the generalization error - empirically evaluating 13 different methods on a total of 18 tabular regression and classification problems, using four different inducers and a total of eight loss functions. We give an overview of the methodological foundations and inherent challenges of constructing CIs for the generalization error and provide a concise review of all 13 methods in a unified framework. Finally, the CI methods are evaluated in terms of their relative coverage frequency, width, and runtime. Based on these findings, we are able to identify a subset of methods that we would recommend. We also publish the datasets as a benchmarking suite on OpenML and our code on GitHub to serve as a basis for further studies.
Biometry in Molecular Medicine
Statistical Learning and Data Science
Computational Statistics & Data Science
Biometry in Molecular Medicine
Statistical Learning and Data Science
Biometry in Molecular Medicine
To reduce the need for human annotations, large language models (LLMs) have been proposed as judges of the quality of other candidate models. LLM judges are typically evaluated by measuring the correlation with human judgments on generation tasks such as summarization or machine translation. In contrast, we study LLM judges on mathematical reasoning tasks. These tasks require multi-step reasoning, and the correctness of their solutions is verifiable, enabling a more objective evaluation. We perform a detailed performance analysis and find that the used judges are mostly unable to improve task performance but are able to pick the better model. Our analysis uncovers a strong correlation between judgment performance and the candidate model task performance. We observe that judges tend to choose the model of higher quality even if its answer is incorrect. Further, we show that it is possible to use statistics, such as the task performances of the individual models, to predict judgment performance. In an ablation, we either swap or mask the candidate answers and observe that judges often keep the original judgment, providing evidence that judges incorporate writing style in their judgments. In summary, we find that regularities in the judgments are quantifiable using statistical measures and provide various angles on exploiting them.
Statistical Learning and Data Science
Large language models (LLMs) are perceived by some as having the potential to revolutionize social science research, considering their training data includes information on human attitudes and behavior. If these attitudes are reflected in LLM output, LLM-generated ‘synthetic samples’ could be used as a viable and efficient alternative to surveys of real humans. However, LLM-synthetic samples might exhibit coverage bias due to training data and fine-tuning processes being unrepresentative of diverse linguistic, social, political, and digital contexts. In this study, we examine to what extent LLM-based predictions of public opinion exhibit context-dependent biases by predicting voting behavior in the 2024 European Parliament elections using a state-of-the-art LLM. We prompt GPT-4-Turbo with anonymized individual-level background information, varying prompt content and language, ask the LLM to predict each person’s voting behavior, and compare the weighted aggregates to the real election results. Our findings emphasize the limited applicability of LLM-synthetic samples to public opinion prediction. We show that (1) the LLM-based prediction of future voting behavior largely fails, (2) prediction accuracy is unequally distributed across national and linguistic contexts, and (3) improving LLM predictions requires detailed attitudinal information about individuals for prompting. In investigating the contextual differences of LLM-based predictions of public opinion, our research contributes to the understanding and mitigation of biases and inequalities in the development of LLMs and their applications in computational social science.
Social Data Science and AI
In this paper, we propose a novel encoder-decoder architecture, named SABER, to learn the 6D pose of the object in the embedding space by learning shape representation at a given pose. This model enables us to learn pose by performing shape representation at a target pose from RGB image input. We perform shape representation as an auxiliary task which helps us in learning rotations space for an object based on 2D images. An image encoder predicts the rotation in the embedding space and the DeepSDF based decoder learns to represent the object’s shape at the given pose. As our approach is shape based, the pipeline is suitable for any type of object irrespective of the symmetry. Moreover, we need only a CAD model of the objects to train SABER. Our pipeline is synthetic data based and can also handle symmetric objects without symmetry labels and, thus, no additional labeled training data is needed. The experimental evaluation shows that our method achieves close to benchmark results for both symmetric objects and asymmetric objects on Occlusion-LineMOD, and T-LESS datasets.
Computer Aided Medical Procedures & Augmented Reality
In this article, we present a collection of radio map datasets in dense urban setting, which we generated and made publicly available. The datasets include simulated pathloss/received signal strength (RSS) and time of arrival (ToA) radio maps over a large collection of realistic dense urban setting in real city maps. The two main applications of the presented dataset are 1) learning methods that predict the pathloss from input city maps (namely, deep learning-based simulations), and, 2) wireless localization. The fact that the RSS and ToA maps are computed by the same simulations over the same city maps allows for a fair comparison of the RSS and ToA-based localization methods.
Mathematical Foundations of Artificial Intelligence
Building high-quality datasets for specialized tasks is a time-consuming and resource-intensive process that often requires specialized domain knowledge. We propose Corpus Retrieval and Augmentation for Fine-Tuning (CRAFT), a method for generating synthetic datasets, given a small number of user-written few-shots that demonstrate the task to be performed. Given the few-shot examples, we use large-scale public web-crawled corpora and similarity-based document retrieval to find other relevant human-written documents. Lastly, instruction-tuned large language models (LLMs) augment the retrieved documents into custom-formatted task samples, which then can be used for fine-tuning. We demonstrate that CRAFT can efficiently generate large-scale task-specific training datasets for four diverse tasks: biology question-answering (QA), medicine QA and commonsense QA as well as summarization. Our experiments show that CRAFT-based models outperform or achieve comparable performance to general LLMs for QA tasks, while CRAFT-based summarization models outperform models trained on human-curated data by 46 preference points.
Computational Linguistics
Prior work in computational bioacoustics has mostly focused on the detection of animal presence in a particular habitat. However, animal sounds contain much richer information than mere presence; among others, they encapsulate the interactions of those animals with other members of their species. Studying these interactions is almost impossible in a naturalistic setting, as the ground truth is often lacking. The use of animals in captivity instead offers a viable alternative pathway. However, most prior works follow a traditional, statistics-based approach to analysing interactions. In the present work, we go beyond this standard framework by attempting to predict the underlying context in interactions between captive Rousettus Aegyptiacus using deep neural networks. We reach an unweighted average recall of over 30% - more than thrice the chance level - and show error patterns that differ from our statistical analysis. This work thus represents an important step towards the automatic analysis of states in animals from sound.
Monitoring and maintaining machine learning models are among the most critical challenges in translating recent advances in the field into real-world applications. However, current monitoring methods lack the capability of provide actionable insights answering the question of why the performance of a particular model really degraded. In this work, we propose a novel approach to explain the behavior of a black-box model under feature shifts by attributing an estimated performance change to interpretable input characteristics. We refer to our method that combines concepts from Optimal Transport and Shapley Values as Explanatory Performance Estimation (XPE). We analyze the underlying assumptions and demonstrate the superiority of our approach over several baselines on different data sets across various data modalities such as images, audio, and tabular data. We also indicate how the generated results can lead to valuable insights, enabling explanatory model monitoring by revealing potential root causes for model deterioration and guiding toward actionable countermeasures.
The Sustainable Development Goals (SDGs) of the United Nations provide a blueprint of a better future by ’leaving no one behind’, and, to achieve the SDGs by 2030, poor countries require immense volumes of development aid. In this paper, we develop a causal machine learning framework for predicting heterogeneous treatment effects of aid disbursements to inform effective aid allocation. Specifically, our framework comprises three components: (i) a balancing autoencoder that uses representation learning to embed high-dimensional country characteristics while addressing treatment selection bias; (ii) a counterfactual generator to compute counterfactual outcomes for varying aid volumes to address small sample-size settings; and (iii) an inference model that is used to predict heterogeneous treatment-response curves. We demonstrate the effectiveness of our framework using data with official development aid earmarked to end HIV/AIDS in 105 countries, amounting to more than USD 5.2 billion. For this, we first show that our framework successfully computes heterogeneous treatment-response curves using semi-synthetic data. Then, we demonstrate our framework using real-world HIV data. Our framework points to large opportunities for a more effective aid allocation, suggesting that the total number of new HIV infections could be reduced by up to 3.3% (~50,000 cases) compared to the current allocation practice.
Artificial Intelligence in Management
Artificial Intelligence in Management
With the usage of tremendous amounts of text data for training powerful large language models such as ChatGPT, the issue of analysing and securing data quality has become more pressing than ever. Any biases, stereotypes and discriminatory patterns that exist in the training data can be reproduced, reinforced or broadly disseminated by the models in production. Therefore, it is crucial to carefully select and monitor the text data that is used as input to train the model. Due to the vast amount of training data, this process needs to be (at least partially) automated. In this work, we introduce a novel approach for automatically detecting gender discrimination in text data on the actor level based on linguistic discourse analysis. Specifically, we combine existing information extraction (IE) techniques to partly automate the qualitative research done in linguistic discourse analysis. We focus on two important steps: Identifying the respectiveperson-named-entity (an actor) and all forms it is referred to (Nomination), and detecting the characteristics it is ascribed (Predication). Asa proof of concept, we integrate these two steps into a pipeline for automated text analysis. The separate building blocks of the pipeline could be flexibly adapted, extended, and scaled for bigger datasets to accommodate a wide range of usage scenarios and specific ML tasks or help social scientists with analysis tasks. We showcase and evaluate our approach on several real and simulated exemplary texts.
Statistical Learning and Data Science
Natural language processing (NLP) has largely focused on modelling standardized languages. More recently, attention has increasingly shifted to local, non-standardized languages and dialects. However, the relevant speaker populations’ needs and wishes with respect to NLP tools are largely unknown. In this paper, we focus on dialects and regional languages related to German – a group of varieties that is heterogeneous in terms of prestige and standardization. We survey speakers of these varieties (N=327) and present their opinions on hypothetical language technologies for their dialects. Although attitudes vary among subgroups of our respondents, we find that respondents are especially in favour of potential NLP tools that work with dialectal input (especially audio input) such as virtual assistants, and less so for applications that produce dialectal output such as machine translation or spellcheckers.
AI and Computational Linguistics
We present MaskLID, a simple, yet effective, code-switching (CS) language identification (LID) method. MaskLID does not require any training and is designed to complement current high-performance sentence-level LIDs. Sentence-level LIDs are classifiers trained on monolingual texts to provide single labels, typically using a softmax layer to turn scores into probabilities. However, in cases where a sentence is composed in both L1 and L2 languages, the LID classifier often only returns the dominant label L1. To address this limitation, MaskLID employs a strategy to mask text features associated with L1, allowing the LID to classify the text as L2 in the next round. This method uses the LID itself to identify the features that require masking and does not rely on any external resource. In this work, we explore the use of MaskLID for two open-source LIDs (GlotLID and OpenLID), that are both based on the FastText architecture.
Computational Linguistics
A wide body of evidence shows that human language processing difficulty is predicted by the information-theoretic measure surprisal, a word’s negative log probability in context. However, it is still unclear how to best estimate these probabilities needed for predicting human processing difficulty – while a long-standing belief held that models with lower perplexity would provide more accurate estimates of word predictability, and therefore lead to better reading time predictions, recent work has shown that for very large models, psycholinguistic predictive power decreases. One reason could be that language models might be more confident of their predictions than humans, because they have had exposure to several magnitudes more data. In this paper, we test what effect temperature-scaling of large language model (LLM) predictions has on surprisal estimates and their predictive power of reading times of English texts. Firstly, we show that calibration of large language models typically improves with model size, i.e. poorer calibration cannot account for poorer fit to reading times. Secondly, we find that temperature-scaling probabilities lead to a systematically better fit to reading times (up to 89% improvement in delta log likelihood), across several reading time corpora. Finally, we show that this improvement in fit is chiefly driven by words that are composed of multiple subword tokens.
The world’s more than 7000 languages are written in at least 293 scripts. Due to various reasons, many closely related languages use different scripts, which poses a difficulty for multilingual pretrained language models (mPLMs) in learning crosslingual knowledge through lexical overlap. As a consequence, mPLMs are faced with a script barrier: representations from different scripts are located in different subspaces, which can result in crosslingual transfer involving languages of different scripts performing suboptimally. To address this problem, we propose TransliCo, a framework that optimizes the Transliteration Contrastive Modeling (TCM) objective to fine-tune an mPLM by contrasting sentences in its training data and their transliterations in a unified script (in our case Latin), which enhances uniformity in the representation space for different scripts. Using Glot500-m, an mPLM pretrained on over 500 languages, as our source model, we fine-tune it on a small portion (5%) of its training data, and refer to the resulting model as Furina. We show that Furina not only better aligns representations from distinct scripts but also outperforms the original Glot500-m on various zero-shot crosslingual transfer tasks. Additionally, we achieve consistent improvement in a case study on the Indic group where the languages exhibit areal features but use different scripts. We make our code and models publicly available.
Deductive reasoning plays a pivotal role in the formulation of sound and cohesive arguments. It allows individuals to draw conclusions that logically follow, given the truth value of the information provided. Recent progress in the domain of large language models (LLMs) has showcased their capability in executing deductive reasoning tasks. Nonetheless, a significant portion of research primarily assesses the accuracy of LLMs in solving such tasks, often overlooking a deeper analysis of their reasoning behavior. In this study, we draw upon principles from cognitive psychology to examine inferential strategies employed by LLMs, through a detailed evaluation of their responses to propositional logic problems. Our findings indicate that LLMs display reasoning patterns akin to those observed in humans, including strategies like supposition following or chain construction. Moreover, our research demonstrates that the architecture and scale of the model significantly affect its preferred method of reasoning, with more advanced models tending to adopt strategies more frequently than less sophisticated ones. Importantly, we assert that a model’s accuracy, that is the correctness of its final conclusion, does not necessarily reflect the validity of its reasoning process. This distinction underscores the necessity for more nuanced evaluation procedures in the field.
AI and Computational Linguistics
Recommender systems are widely used to suggest engaging content, and Large Language Models (LLMs) have given rise to generative recommenders. Such systems can directly generate items, including for open-set tasks like question suggestion. While the world knowledge of LLMs enable good recommendations, improving the generated content through user feedback is challenging as continuously fine-tuning LLMs is prohibitively expensive. We present a training-free approach for optimizing generative recommenders by connecting user feedback loops to LLM-based optimizers. We propose a generative explore-exploit method that can not only exploit generated items with known high engagement, but also actively explore and discover hidden population preferences to improve recommendation quality. We evaluate our approach on question generation in two domains (e-commerce and general knowledge), and model user feedback with Click Through Rate (CTR). Experiments show our LLM-based explore-exploit approach can iteratively improve recommendations, and consistently increase CTR. Ablation analysis shows that generative exploration is key to learning user preferences, avoiding the pitfalls of greedy exploit-only approaches. A human evaluation strongly supports our quantitative findings.
Maximum-a-posteriori (MAP) decoding is the most widely used decoding strategy for neural machine translation (NMT) models. The underlying assumption is that model probability correlates well with human judgment, with better translations getting assigned a higher score by the model. However, research has shown that this assumption does not always hold, and generation quality can be improved by decoding to optimize a utility function backed by a metric or quality-estimation signal, as is done by Minimum Bayes Risk (MBR) or Quality-Aware decoding. The main disadvantage of these approaches is that they require an additional model to calculate the utility function during decoding, significantly increasing the computational cost. In this paper, we propose to make the NMT models themselves quality-aware by training them to estimate the quality of their own output. Using this approach for MBR decoding we can drastically reduce the size of the candidate list, resulting in a speed-up of two-orders of magnitude. When applying our method to MAP decoding we obtain quality gains similar or even superior to quality reranking approaches, but with the efficiency of single pass decoding.
Computer Vision & Artificial Intelligence
Human label variation arises when annotators assign different labels to the same item for valid reasons, while annotation errors occur when labels are assigned for invalid reasons. These two issues are prevalent in NLP benchmarks, yet existing research has studied them in isolation. To the best of our knowledge, there exists no prior work that focuses on teasing apart error from signal, especially in cases where signal is beyond black-and-white.To fill this gap, we introduce a systematic methodology and a new dataset, VariErr (variation versus error), focusing on the NLI task in English. We propose a 2-round annotation procedure with annotators explaining each label and subsequently judging the validity of label-explanation pairs.VariErr contains 7,732 validity judgments on 1,933 explanations for 500 re-annotated MNLI items. We assess the effectiveness of various automatic error detection (AED) methods and GPTs in uncovering errors versus human label variation. We find that state-of-the-art AED methods significantly underperform GPTs and humans. While GPT-4 is the best system, it still falls short of human performance. Our methodology is applicable beyond NLI, offering fertile ground for future research on error versus plausible variation, which in turn can yield better and more trustworthy NLP systems.
AI and Computational Linguistics
In legal decisions, split votes (SV) occur when judges cannot reach a unanimous decision, posing a difficulty for lawyers who must navigate diverse legal arguments and opinions. In high-stakes domains, %as human-AI interaction systems become increasingly important, understanding the alignment of perceived difficulty between humans and AI systems is crucial to build trust. However, existing NLP calibration methods focus on a classifier’s awareness of predictive performance, measured against the human majority class, overlooking inherent human label variation (HLV). This paper explores split votes as naturally observable human disagreement and value pluralism. We collect judges’ vote distributions from the European Court of Human Rights (ECHR), and present SV-ECHR, a case outcome classification (COC) dataset with SV information. We build a taxonomy of disagreement with SV-specific subcategories. We further assess the alignment of perceived difficulty between models and humans, as well as confidence- and human-calibration of COC models. We observe limited alignment with the judge vote distribution. To our knowledge, this is the first systematic exploration of calibration to human judgements in legal NLP. Our study underscores the necessity for further research on measuring and enhancing model calibration considering HLV in legal decision tasks.
Telling stories is an integral part of human communication which can evoke emotions and influence the affective states of the audience. Automatically modeling emotional trajectories in stories has thus attracted considerable scholarly interest. However, as most existing works have been limited to unsupervised dictionary-based approaches, there is no benchmark for this task. We address this gap by introducing continuous valence and arousal labels for an existing dataset of children’s stories originally annotated with discrete emotion categories. We collect additional annotations for this data and map the categorical labels to the continuous valence and arousal space. For predicting the thus obtained emotionality signals, we fine-tune a DeBERTa model and improve upon this baseline via a weakly supervised learning approach. The best configuration achieves a Concordance Correlation Coefficient (CCC) of .8221 for valence and .7125 for arousal on the test set, demonstrating the efficacy of our proposed approach. A detailed analysis shows the extent to which the results vary depending on factors such as the author, the individual story, or the section within the story. In addition, we uncover the weaknesses of our approach by investigating examples that prove to be difficult to predict.
Cross-lingual alignment, the meaningful similarity of representations across languages in multilingual language models, has been an active field of research in recent years. We survey the literature of techniques to improve cross-lingual alignment, providing a taxonomy of methods and summarising insights from throughout the field. We present different understandings of cross-lingual alignment and their limitations. We provide a qualitative summary of results from a number of surveyed papers. Finally, we discuss how these insights may be applied not only to encoder models, where this topic has been heavily studied, but also to encoder-decoder or even decoder-only models, and argue that an effective trade-off between language-neutral and language-specific information is key.
Data Analytics & Statistics
To democratize large language models (LLMs) to most natural languages, it is imperative to make these models capable of understanding and generating texts in many languages, in particular low-resource ones. While recent multilingual LLMs demonstrate remarkable performance in such capabilities, these LLMs still support a limited number of human languages due to the lack of training data for low resource languages. Moreover, these LLMs are not yet aligned with human preference for downstream tasks, which is crucial for the success of LLMs in English. In this paper, we introduce xLLaMA-100 and xBLOOM-100 (collectively xLLMs-100), which scale the multilingual capabilities of LLaMA and BLOOM to 100 languages. To do so, we construct two datasets: a multilingual instruction dataset including 100 languages, which represents the largest language coverage to date, and a cross-lingual human feedback dataset encompassing 30 languages. We perform multilingual instruction tuning on the constructed instruction data and further align the LLMs with human feedback using the DPO algorithm on our cross-lingual human feedback dataset. We evaluate the multilingual understanding and generating capabilities of xLLMs-100 on five multilingual benchmarks. Experimental results show that xLLMs-100 consistently outperforms its peers across the benchmarks by considerable margins, defining a new state-of-the-art multilingual LLM that supports 100 languages.
Online propaganda poses a severe threat to the integrity of societies. However, existing datasets for detecting online propaganda have a key limitation: they were annotated using weak labels that can be noisy and even incorrect. To address this limitation, our work makes the following contributions: (1) We present HQP: a novel dataset (N=30000) for detecting online propaganda with high-quality labels. To the best of our knowledge, HQP is the first large-scale dataset for detecting online propaganda that was created through human annotation. (2) We show empirically that state-of-the-art language models fail in detecting online propaganda when trained with weak labels (AUC: 64.03). In contrast, state-of-the-art language models can accurately detect online propaganda when trained with our high-quality labels (AUC: 92.25), which is an improvement of 44%. (3) We show that prompt-based learning using a small sample of high-quality labels can still achieve a reasonable performance (AUC: 80.27) while significantly reducing the cost of labeling. (4) We extend HQP to HQP+ to test how well propaganda across different contexts can be detected. Crucially, our work highlights the importance of high-quality labels for sensitive NLP tasks such as propaganda detection.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
The open-ended nature of language generation makes the evaluation of autoregressive large language models (LLMs) challenging. One common evaluation approach uses multiple-choice questions to limit the response space. The model is then evaluated by ranking the candidate answers by the log probability of the first token prediction. However, first-tokens may not consistently reflect the final response output, due to model’s diverse response styles such as starting with ‘Sure’ or refusing to answer. Consequently, first-token evaluation is not indicative of model behaviour when interacting with users. But by how much? We evaluate how aligned first-token evaluation is with the text output along several dimensions, namely final option choice, refusal rate, choice distribution and robustness under prompt perturbation. Our results show that the two approaches are severely misaligned on all dimensions, reaching mismatch rates over 60%. Models heavily fine-tuned on conversational or safety data are especially impacted. Crucially, models remain misaligned even when we increasingly constrain prompts, i.e., force them to start with an option letter or example template. Our findings i) underscore the importance of inspecting the text output as well and ii) caution against relying solely on first-token evaluation.
AI and Computational Linguistics
Despite the ubiquity of large language models (LLMs) in AI research, the question of embodiment in LLMs remains underexplored, distinguishing them from embodied systems in robotics where sensory perception directly informs physical action.Our investigation navigates the intriguing terrain of whether LLMs, despite their non-embodied nature, effectively capture implicit human intuitions about fundamental, spatial building blocks of language. We employ insights from spatial cognitive foundations developed through early sensorimotor experiences, guiding our exploration through the reproduction of three psycholinguistic experiments. Surprisingly, correlations between model outputs and human responses emerge, revealing adaptability without a tangible connection to embodied experiences. Notable distinctions include polarized language model responses and reduced correlations in vision language models. This research contributes to a nuanced understanding of the interplay between language, spatial experiences, and the computations made by large language models.
Computational Linguistics
Large Language Models (LLMs) exhibit strong In-Context Learning (ICL) capabilities when prompts with demonstrations are applied to them. However, fine-tuning still remains crucial to further enhance their adaptability. Prompt-based fine-tuning proves to be an effective fine-tuning method in low-data scenarios, but high demands on computing resources limit its practicality. We address this issue by introducing a prompt-based parameter-efficient fine-tuning (PEFT) approach. GNNavi leverages insights into ICL’s information flow dynamics, which indicates that label words act in prompts as anchors for information propagation. GNNavi employs a Graph Neural Network (GNN) layer to precisely guide the aggregation and distribution of information flow during the processing of prompts by hardwiring the desired information flow into the GNN. Our experiments on text classification tasks with GPT-2 and Llama2 shows GNNavi surpasses standard prompt-based fine-tuning methods in few-shot settings by updating just 0.2% to 0.5% of parameters. We compare GNNavi with prevalent PEFT approaches, such as prefix tuning, LoRA and Adapter in terms of performance and efficiency. Our analysis reveals that GNNavi enhances information flow and ensures a clear aggregation process.
In-context learning is a popular inference strategy where large language models solve a task using only a few labeled demonstrations without needing any parameter updates. Although there have been extensive studies on English in-context learning, multilingual in-context learning remains under-explored, and we lack an in-depth understanding of the role of demonstrations in this context. To address this gap, we conduct a multidimensional analysis of multilingual in-context learning, experimenting with 5 models from different model families, 9 datasets covering classification and generation tasks, and 56 typologically diverse languages. Our results reveal that the effectiveness of demonstrations varies significantly across models, tasks, and languages. We also find that strong instruction-following models including Llama 2-Chat, GPT-3.5, and GPT-4 are largely insensitive to the quality of demonstrations. Instead, a carefully crafted template often eliminates the benefits of demonstrations for some tasks and languages altogether. These findings show that the importance of demonstrations might be overestimated. Our work highlights the need for granular evaluation across multiple axes towards a better understanding of in-context learning.
In this study, we explore the proficiency of large language models (LLMs) in understanding two key lexical aspects: duration (durative/stative) and telicity (telic/atelic). Through experiments on datasets featuring sentences, verbs, and verb positions, we prompt the LLMs to identify aspectual features of verbs in sentences. Our findings reveal that certain LLMs, particularly those closed-source ones, are able to capture information on duration and telicity, albeit with some performance variations and weaker results compared to the baseline. By employing prompts at three levels (sentence-only, sentence with verb, and sentence with verb and its position), we demonstrate that integrating verb information generally enhances performance in aspectual feature recognition, though it introduces instability. We call for future research to look deeper into methods aimed at optimizing LLMs for aspectual feature comprehension.
We present a research agenda focused on efficiently extracting, assuring quality, and consolidating textual company sustainability information to address urgent climate change decision-making needs. Starting from the goal to create integrated FAIR (Findable, Accessible, Interoperable, Reusable) climate-related data, we identify research needs pertaining to the technical aspects of information extraction as well as to the design of the integrated sustainability datasets that we seek to compile. Regarding extraction, we leverage technological advancements, particularly in large language models (LLMs) and Retrieval-Augmented Generation (RAG) pipelines, to unlock the underutilized potential of unstructured textual information contained in corporate sustainability reports. In applying these techniques, we review key challenges, which include the retrieval and extraction of CO2 emission values from PDF documents, especially from unstructured tables and graphs therein, and the validation of automatically extracted data through comparisons with human-annotated values. We also review how existing use cases and practices in climate risk analytics relate to choices of what textual information should be extracted and how it could be linked to existing structured data.
Social Data Science and AI
Climate Change (CC) is a pressing topic of global importance, attracting increasing attention across research fields, from social sciences to Natural Language Processing (NLP). CC is also discussed in various settings and communication platforms, from academic publications to social media forums. Understanding who and what is mentioned in such data is a first critical step to gaining new insights into CC. We present CLIMATELI (CLIMATe Entity LInking), the first manually annotated CC dataset that links 3,087 entity spans to Wikipedia. Using CLIMATELI (CLIMATe Entity LInking), we evaluate existing entity linking (EL) systems on the CC topic across various genres and propose automated filtering methods for CC entities. We find that the performance of EL models notably lags behind humans at both token and entity levels. Testing within the scope of retaining or excluding non-nominal and/or non-CC entities particularly impacts the models’ performances.
AI and Computational Linguistics
With the advent and recent ubiquity of foundation models, continual learning (CL) has recently shifted from continual training from scratch to the continual adaptation of pretrained models, seeing particular success on rehearsal-free CL benchmarks (RFCL). To achieve this, most proposed methods adapt and restructure parameter-efficient finetuning techniques (PEFT) to suit the continual nature of the problem. Based most often on input-conditional query-mechanisms or regularizations on top of prompt- or adapter-based PEFT, these PEFT-style RFCL (P-RFCL) approaches report peak performances; often convincingly outperforming existing CL techniques. However, on the other end, critical studies have recently highlighted competitive results by training on just the first task or via simple non-parametric baselines. Consequently, questions arise about the relationship between methodological choices in P-RFCL and their reported high benchmark scores. In this work, we tackle these questions to better understand the true drivers behind strong P-RFCL performances, their placement w.r.t. recent first-task adaptation studies, and their relation to preceding CL standards such as EWC or SI. In particular, we show: (1) P-RFCL techniques relying on input-conditional query mechanisms work not because, but rather despite them by collapsing towards standard PEFT shortcut solutions. (2) Indeed, we show how most often, P-RFCL techniques can be matched by a simple and lightweight PEFT baseline. (3) Using this baseline, we identify the implicit bound on tunable parameters when deriving RFCL approaches from PEFT methods as a potential denominator behind P-RFCL efficacy. Finally, we (4) better disentangle continual versus first-task adaptation, and (5) motivate standard RFCL techniques s.a. EWC or SI in light of recent P-RFCL methods.
Automatic correction of errors in Handwritten Text Recognition (HTR) output poses persistent challenges yet to be fully resolved. In this study, we introduce a shared task aimed at addressing this challenge, which attracted 271 submissions, yielding only a handful of promising approaches. This paper presents the datasets, the most effective methods, and an experimental analysis in error-correcting HTRed manuscripts and papyri in Byzantine Greek, the language that followed Classical and preceded Modern Greek. By using recognised and transcribed data from seven centuries, the two best-performing methods are compared, one based on a neural encoder-decoder architecture and the other based on engineered linguistic rules. We show that the recognition error rate can be reduced by both, up to 2.5 points at the level of characters and up to 15 at the level of words, while also elucidating their respective strengths and weaknesses.
Statistical Learning and Data Science
Multiple choice question answering tasks evaluate the reasoning, comprehension, and mathematical abilities of Large Language Models (LLMs). While existing benchmarks employ automatic translation for multilingual evaluation, this approach is error-prone and potentially introduces culturally biased questions, especially in social sciences. We introduce the first multitask, multiple-choice Turkish QA benchmark, TurkishMMLU, to evaluate LLMs’ understanding of the Turkish language. TurkishMMLU includes over 10,000 questions, covering 9 different subjects from Turkish high-school education curricula. These questions are written by curriculum experts, suitable for the high-school curricula in Turkey, covering subjects ranging from natural sciences and math questions to more culturally representative topics such as Turkish Literature and the history of the Turkish Republic. We evaluate over 20 LLMs, including multilingual open-source (e.g., Gemma, Llama, MT5), closed-source (GPT 4o, Claude, Gemini), and Turkish-adapted (e.g., Trendyol) models. We provide an extensive evaluation, including zero-shot and few-shot evaluation of LLMs, chain-of-thought reasoning, and question difficulty analysis along with model performance. We provide an in-depth analysis of the Turkish capabilities and limitations of current LLMs to provide insights for future LLMs for the Turkish language.
Computational Linguistics
Future domestic robots will become integral parts of our homes. They will have various sensors that continuously collect data and varying locomotion and interaction capabilities, enabling them to access all rooms and physically manipulate the environment. This raises many privacy concerns. We investigate how such concerns can be mitigated, using all possibilities enabled by the robot’s novel locomotion and interaction abilities. First, we found that privacy concerns increase with advanced locomotion and interaction capabilities through an online survey (N=90). Second, we conducted three focus groups (N=22) to construct 86 patterns to communicate the states of microphones, cameras, and the internet connectivity of domestic robots. Lastly, we conducted a large-scale online survey (N=1720) to understand which patterns perform best regarding trust, privacy, understandability, notification qualities, and user preference. Our final set of communication patterns will guide developers and researchers to ensure a privacy-preserving future with domestic robots.
In this work, we present a collaboratively and continuously developed open-source educational resource (OSER) for teaching natural language processing at two different universities. We shed light on the principles we followed for the initial design of the course and the rationale for ongoing developments, followed by a reflection on the inter-university collaboration for designing and maintaining teaching material. When reflecting on the latter, we explicitly emphasize the considerations that need to be made when facing heterogeneous groups and when having to accommodate multiple examination regulations within one single course framework. Relying on the fundamental principles of OSER developments as defined by Bothmann et al. (2023) proved to be an important guideline during this process. The final part pertains to open-sourcing our teaching material, coping with the increasing speed of developments in the field, and integrating the course digitally, also addressing conflicting priorities and challenges we are currently facing.
Statistical Learning and Data Science
Statistical Learning and Data Science
Abstract notions are often comprehended through analogies, wherein there exists correspondence or partial similarity with more concrete concepts. A fundamental aspect of human cognition involves synthesising embodied experiences into spatial schemas, which profoundly influence conceptualisation and underlie language acquisition. Recent studies have demonstrated that Large Language Models (LLMs) exhibit certain spatial intuitions akin to human language. For instance, both humans and LLMs tend to associate ↑ with hope more readily than with warn. However, the nuanced partial similarities between concrete (e.g., ↑) and abstract (e.g., hope) concepts, remain insufficiently explored. Therefore, we propose a novel methodology utilising analogical reasoning to elucidate these associations and examine whether LLMs adjust their associations in response to analogy-prompts. We find that analogy-prompting is slightly increasing agreement with human choices and the answers given by models include valid explanations supported by analogies, even when in disagreement with human results.
Computational Linguistics
Hyperparameter optimization (HPO) is indispensable for achieving optimal performance in machine learning tasks. A popular class of methods in this regard is based on Successive Halving (SHA), which casts HPO into a pure-exploration multi-armed bandit problem under finite sampling budget constraints. This is accomplished by considering hyperparameter configurations as arms and rewards as the negative validation losses. While enjoying theoretical guarantees as well as working well in practice, SHA comes, however, with several hyperparameters itself, one of which is the maximum budget that can be allocated to evaluate a single arm (hyperparameter configuration). Although there are already solutions to this meta hyperparameter optimization problem, such as the doubling trick or asynchronous extensions of SHA, these are either practically inefficient or lack theoretical guarantees. In this paper, we propose incremental SHA (iSHA), a synchronous extension of SHA, allowing to increase the maximum budget a posteriori while still enjoying theoretical guarantees. Our empirical analysis of HPO problems corroborates our theoretical findings and shows that iSHA is more resource-efficient than existing SHA-based approaches.
Bayesian inference in deep neural networks is challenging due to the high-dimensional, strongly multi-modal parameter posterior density landscape. Markov chain Monte Carlo approaches asymptotically recover the true posterior but are considered prohibitively expensive for large modern architectures. Local methods, which have emerged as a popular alternative, focus on specific parameter regions that can be approximated by functions with tractable integrals. While these often yield satisfactory empirical results, they fail, by definition, to account for the multi-modality of the parameter posterior. In this work, we argue that the dilemma between exact-but-unaffordable and cheap-but-inexact approaches can be mitigated by exploiting symmetries in the posterior landscape. Such symmetries, induced by neuron interchangeability and certain activation functions, manifest in different parameter values leading to the same functional output value. We show theoretically that the posterior predictive density in Bayesian neural networks can be restricted to a symmetry-free parameter reference set. By further deriving an upper bound on the number of Monte Carlo chains required to capture the functional diversity, we propose a straightforward approach for feasible Bayesian inference. Our experiments suggest that efficient sampling is indeed possible, opening up a promising path to accurate uncertainty quantification in deep learning.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
With the increased use of machine learning (ML) models within automated decision-making systems, the demands on the quality of ML models are growing. Pure prediction quality is no longer the sole quality criterion; in particular, there is an increasing demand to consider fairness aspects. This paper pursues two goals. First, it summarizes the current fairness discussion in the field of ML (fairML) and describes the most recent developments, especially with respect to the philosophical foundations of the concept of fairness within ML. On the other hand, the question is addressed to what extent so-called ‘extra-legal’ characteristics may be used in the compilation of qualified rent indices. A recent proposal by Kauermann and Windmann (AStA Wirtschafts- und Sozialstatistisches Archiv, Volume 17, 2023) on using extra-legal features in qualified rent indices includes a model-based imputation method, which we contrast with the legal requirements. Finally, we show which alternatives from the field of fairML could be used and outline the different basic philosophical assumptions behind the various methods.
Statistical Learning and Data Science
Distributed statistical analyses provide a promising approach for privacy protection when analyzing data distributed over several databases. Instead of directly operating on data, the analyst receives anonymous summary statistics, which are combined into an aggregated result. Further, in discrimination model (prognosis, diagnosis, etc.) development, it is key to evaluate a trained model w.r.t. to its prognostic or predictive performance on new independent data. For binary classification, quantifying discrimination uses the receiver operating characteristics (ROC) and its area under the curve (AUC) as aggregation measure. We are interested to calculate both as well as basic indicators of calibration-in-the-large for a binary classification task using a distributed and privacy-preserving approach…
Daniel Schalk
Dr.
* Former Member
Statistical Learning and Data Science
Cancer cells and pathogens can evade T cell receptors (TCRs) via mutations in immunogenic epitopes. TCR cross-reactivity (i.e., recognition of multiple epitopes with sequence similarities) can counteract such escape but may cause severe side effects in cell-based immunotherapies through targeting self-antigens. To predict the effect of epitope point mutations on T cell functionality, we here present the random forest-based model Predicting T Cell Epitope-Specific Activation against Mutant Versions (P-TEAM). P-TEAM was trained and tested on three datasets with TCR responses to single-amino-acid mutations of the model epitope SIINFEKL, the tumor neo-epitope VPSVWRSSL, and the human cytomegalovirus antigen NLVPMVATV, totaling 9,690 unique TCR-epitope interactions. P-TEAM was able to accurately classify T cell reactivities and quantitatively predict T cell functionalities for unobserved single-point mutations and unseen TCRs. Overall, P-TEAM provides an effective computational tool to study T cell responses against mutated epitopes.
Emilio Dorigatti
Dr.
* Former Member
Statistical Learning and Data Science
Hintergrund: Die medizinische Codierung von radiologischen Befunden ist essenziell für eine gute Qualität der Versorgung und die korrekte Abrechnung, gleichzeitig aber eine aufwändige und fehleranfällige Aufgabe.
Ziel der Arbeit: Bewertung der Anwendbarkeit natürlicher Sprachverarbeitung (Natural Language Processing, NLP) für die ICD-10-Codierung von radiologischen Befunden in deutscher Sprache durch Finetuning geeigneter Sprachmodelle.
Material und Methoden: In dieser retrospektiven Studie wurden alle Magnetresonanztomographie(MRT)-Befunde unseres Instituts zwischen 2010 und 2020 berücksichtigt. Die ICD-10-Codes bei Entlassung wurden den jeweiligen Befunden zugeordnet, um einen Datensatz für eine Multiclass-Klassifizierung zu erstellen. Finetuning von GermanBERT und flanT5 wurde auf dem Gesamtdatensatz (dstotal) mit 1035 verschiedenen ICD-10-Codes und zwei reduzierten Datensätzen mit den 100 (ds100) und 50 (ds50) häufigsten Codes durchgeführt. Die Performance der Modelle wurde mit Top-k-Genauigkeit für k = 1, 3, 5 evaluiert. In einer Ablationsstudie wurden beide Modelle einmal auf den zugehörigen Metadaten und dem Befund allein trainiert.
Ergebnisse: Der Gesamtdatensatz bestand aus 100.672 radiologischen Befunden, die reduzierten Datensätze ds100 aus 68.103 und ds50 aus 52.293 Berichten. Die Modellperformance stieg, wenn mehrere der besten Voraussagen des Modells in Betracht gezogen wurden, die Anzahl der Zielklassen reduziert wurde und die Metadaten mit dem Befund kombiniert wurden. FlanT5 übertraf GermanBERT in allen Datensätzen und Metriken und eignet sich am besten als medizinischer Codierungsassistent, wobei eine Top-3-Genauigkeit von fast 70% im realitätsnahen Datensatz dstotal erreicht wurde.
Schlussfolgerung: Finetuning von Sprachmodellen verspricht eine zuverlässige Vorhersage von ICD-10-Codes deutscher radiologischer MRT-Befunde in unterschiedlichen Szenarien. Als Codierungsassistent kann flanT5 medizinischen Codierern helfen, informierte Entscheidungen zu treffen und potenziell ihre Arbeitsbelastung reduzieren.
Statistical Learning and Data Science
Heart sound auscultation has been applied in clinical usage for early screening of cardiovascular diseases. Due to the high demand for auscultation expertise, automatic auscultation can help with auxiliary diagnosis and reduce the burden of training professional clinicians. Nevertheless, there is a limit to classic machine learning’s performance improvement in the era of Big Data. Deep learning has outperformed classic machine learning in many research fields, as it employs more complex model architectures with a stronger capability of extracting effective representations. Moreover, it has been successfully applied to heart sound analysis in the past years. As most review works about heart sound analysis were carried out before 2017, the present survey is the first to work on a comprehensive overview to summarise papers on heart sound analysis with deep learning published in 2017–2022. This work introduces both classic machine learning and deep learning for comparison, and further offer insights about the advances and future research directions in deep learning for heart sound analysis.
We introduce a novel monocular visual odometry (VO) system, NeRF-VO, that integrates learning-based sparse visual odometry for low-latency camera tracking and a neural radiance scene representation for fine-detailed dense reconstruction and novel view synthesis. Our system initializes camera poses using sparse visual odometry and obtains view-dependent dense geometry priors from a monocular prediction network. We harmonize the scale of poses and dense geometry, treating them as supervisory cues to train a neural implicit scene representation. NeRF-VO demonstrates exceptional performance in both photometric and geometric fidelity of the scene representation by jointly optimizing a sliding window of keyframed poses and the underlying dense geometry, which is accomplished through training the radiance field with volume rendering. We surpass SOTA methods in pose estimation accuracy, novel view synthesis fidelity, and dense reconstruction quality across a variety of synthetic and real-world datasets while achieving a higher camera tracking frequency and consuming less GPU memory.
Arctic permafrost is facing significant changes due to global climate change. As these regions are largely inaccessible, remote sensing plays a crucial rule in better understanding the underlying processes across the Arctic. In this study, we focus on the remote detection of retrogressive thaw slumps (RTSs), a permafrost disturbance comparable to slow landslides. For such remote sensing tasks, deep learning has become an indispensable tool, but limited labeled training data remains a challenge for training accurate models. We present PixelDINO, a semi-supervised learning approach, to improve model generalization across the Arctic with a limited number of labels. PixelDINO leverages unlabeled data by training the model to define its own segmentation categories (pseudoclasses), promoting consistent structural learning across strong data augmentations. This allows the model to extract structural information from unlabeled data, supplementing the learning from labeled data. PixelDINO surpasses both supervised baselines and existing semi-supervised methods, achieving average intersection-over-union (IoU) of 30.2 and 39.5 on the two evaluation sets, representing significant improvements of 13% and 21%, respectively, over the strongest existing models. This highlights the potential for training robust models that generalize well to regions that were not included in the training data.
Cloud coverage poses a significant challenge to optical image interpretation, degrading ground information on Earth’s surface. Synthetic aperture radar (SAR), with its ability to penetrate clouds, provides supplementary information to optical data. However, existing optical-SAR fusion methods predominantly focus on cloud-free scenarios, neglecting the practical challenge of semantic segmentation under cloudy conditions. To tackle this issue, we propose CloudSeg, a novel framework tailored for land cover mapping in the presence of clouds. It addresses the challenges posed by cloud cover from two aspects: reducing semantic ambiguity in areas of the cloudy image that are obscured by clouds and enhancing effective information in the unobstructed portions. Specifically, CloudSeg employs a multi-task learning strategy to simultaneously handle low-level visual task and high-level semantic understanding task, mitigating the semantic ambiguity caused by cloud cover by acquiring discriminative features through an auxiliary cloud removal task. Additionally, CloudSeg incorporates a knowledge distillation strategy, which utilizes the knowledge learned by the teacher network under cloud-free conditions to guide the student network to overcome the interference of cloud-covered areas, enhancing the valuable information from the unobstructed parts of cloud-covered images. Extensive experiments conducted on two datasets, M3M-CR and WHU-OPT-SAR, demonstrate the effectiveness and superiority of the proposed CloudSeg method for land cover mapping under cloudy conditions. Specifically, CloudSeg outperforms the state-of-the-art competitors by 3.16% in terms of mIoU on M3M-CR and by 5.56% on WHU-OPT-SAR, highlighting its substantial advantages for analyzing regions frequently obscured by clouds.
In this paper, we formalize the problem of learning coherent collections of decision models, which we call decision catalogues, and illustrate it for the case where models are scoring systems. This problem is motivated by the recent rise of algorithmic decision-making and the idea to improve human decision-making through machine learning, in conjunction with the observation that decision models should be situated in terms of their complexity and resource requirements: Instead of constructing a single decision model and using this model in all cases, different models might be appropriate depending on the decision context. Decision catalogues are supposed to support a seamless transition from very simple, resource-efficient to more sophisticated but also more demanding models. We present a general algorithmic framework for inducing such catalogues from training data, which tackles the learning task as a problem of searching the space of candidate catalogues systematically and, to this end, makes use of heuristic search methods. We also present a concrete instantiation of this framework as well as empirical studies for performance evaluation, which, in a nutshell, show that greedy search is an efficient and hard-to-beat strategy for the construction of catalogues of scoring systems.
Artificial Intelligence and Machine Learning
The viscous regularization of an ill-posed diffusion equation with bistable nonlinearity predicts a hysteretic behavior of dynamical phase transitions but a complete mathematical understanding of the intricate multiscale evolution is still missing. We shed light on the fine structure of propagating phase boundaries by carefully examining traveling wave solutions in a special case. Assuming a trilinear constitutive relation we characterize all waves that possess a monotone profile and connect the two phases by a single interface of positive width. We further study the two sharp-interface regimes related to either vanishing viscosity or the bilinear limit.
The localization of objects is essential in many applications, such as robotics, virtual and augmented reality, and warehouse logistics. Recent advancements in deep learning have enabled localization using monocular cameras. Traditionally, structure from motion (SfM) techniques predict an object’s absolute position from a point cloud, while absolute pose regression (APR) methods use neural networks to understand the environment semantically. However, both approaches face challenges from environmental factors like motion blur, lighting changes, repetitive patterns, and featureless areas. This study addresses these challenges by incorporating additional information and refining absolute pose estimates with relative pose regression (RPR) methods. RPR also struggles with issues like motion blur. To overcome this, we compute the optical flow between consecutive images using the Lucas–Kanade algorithm and use a small recurrent convolutional network to predict relative poses. Combining absolute and relative poses is difficult due to differences between global and local coordinate systems. Current methods use pose graph optimization (PGO) to align these poses. In this work, we propose recurrent fusion networks to better integrate absolute and relative pose predictions, enhancing the accuracy of absolute pose estimates. We evaluate eight different recurrent units and create a simulation environment to pre-train the APR and RPR networks for improved generalization. Additionally, we record a large dataset of various scenarios in a challenging indoor environment resembling a warehouse with transportation robots. Through hyperparameter searches and experiments, we demonstrate that our recurrent fusion method outperforms PGO in effectiveness.
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Recent efforts to construct reference maps of cellular phenotypes have expanded the volume and diversity of single-cell omics data, providing an unprecedented resource for studying cell properties. Despite the availability of rich datasets and their continued growth, current single-cell models are unable to fully capitalize on the information they contain. Transformers have become the architecture of choice for foundation models in other domains owing to their ability to generalize to heterogeneous, large-scale datasets. Thus, the question arises of whether transformers could set off a similar shift in the field of single-cell modeling. Here we first describe the transformer architecture and its single-cell adaptations and then present a comprehensive review of the existing applications of transformers in single-cell analysis and critically discuss their future potential for single-cell biology. By studying limitations and technical challenges, we aim to provide a structured outlook for future research directions at the intersection of machine learning and single-cell biology.
Ethics in Systems Design and Machine Learning
Radiation-induced pneumonitis (RP), diagnosed 6–12 weeks after treatment, is a complication of lung tumor radiotherapy. So far, clinical and dosimetric parameters have not been reliable in predicting RP. We propose using non-contrast enhanced magnetic resonance imaging (MRI) based functional parameters acquired over the treatment course for patient stratification for improved follow-up.
The impact of climate change and urbanization has increased the risk of flooding. During the UN Climate Change Conference 28 (COP 28), an agreement was reached to establish “The Loss and Damage Fund” to assist low-income countries impacted by climate change. However, allocating the resources required for post-flood reconstruction and reimbursement is challenging due to the limited availability of data and the absence of a comprehensive tool. Here, we propose a novel resource allocation framework based on remote sensing and geospatial data near the flood peak, such as buildings and population. The quantification of resource distribution utilizes an exposure index for each municipality, which interacts with various drivers, including flood hazard drivers, buildings exposure, and population exposure. The proposed framework asses the flood extension using pre- and post-flood Sentinel-1 Synthetic Aperture Radar (SAR) data. To demonstrate the effectiveness of this framework, an analysis was conducted on the flood that occurred in the Thessaly region of Greece in September 2023. The study revealed that the municipality of Palamas has the highest need for resource allocation, with an exposure index rating of 5/8. Any government can use this framework for rapid decision-making and to expedite post-flood recovery.
The rapid development of artificial intelligence (AI) has gained importance, with many tools already entering our daily lives. The medical field of radiation oncology is also subject to this development, with AI entering all steps of the patient journey. In this review article, we summarize contemporary AI techniques and explore the clinical applications of AI-based automated segmentation models in radiotherapy planning, focusing on delineation of organs at risk (OARs), the gross tumor volume (GTV), and the clinical target volume (CTV). Emphasizing the need for precise and individualized plans, we review various commercial and freeware segmentation tools and also state-of-the-art approaches. Through our own findings and based on the literature, we demonstrate improved efficiency and consistency as well as time savings in different clinical scenarios. Despite challenges in clinical implementation such as domain shifts, the potential benefits for personalized treatment planning are substantial. The integration of mathematical tumor growth models and AI-based tumor detection further enhances the possibilities for refining target volumes. As advancements continue, the prospect of one-stop-shop segmentation and radiotherapy planning represents an exciting frontier in radiotherapy, potentially enabling fast treatment with enhanced precision and individualization.
Machine Learning is a core building block in novel data-driven applications. Practitioners face many ambiguous design decisions while developing practical machine learning (ML) solutions. Automated machine learning (AutoML) facilitates the development of machine learning applications by providing efficient methods for optimizing hyperparameters, searching for neural architectures, or constructing whole ML pipelines (Hutter et al., 2019). Thereby, design decisions such as the choice of modelling, pre-processing, and training algorithm are crucial to obtaining well-performing solutions. By automatically obtaining ML solutions, AutoML aims to lower the barrier to leveraging machine learning and reduce the time needed to develop or adapt ML solutions for new domains or data.
Highly performant software packages for automatically building ML pipelines given data, so-called AutoML systems, are available and can be used off-the-shelf. Typically, AutoML systems evaluate ML models sequentially to return a well-performing single best model or multiple models combined into an ensemble. Existing AutoML systems are typically highly engineered monolithic software developed for specific use cases to perform well and robustly under various conditions…
Statistical Learning and Data Science
Quantifying the impact of individual data samples on machine learning models is an open research problem. This is particularly relevant when complex and high-dimensional relationships have to be learned from a limited sample of the data generating distribution, such as in deep learning. It was previously shown that, in these cases, models rely not only on extracting patterns which are helpful for generalisation, but also seem to be required to incorporate some of the training data more or less as is, in a process often termed memorisation. This raises the question: if some memorisation is a requirement for effective learning, what are its privacy implications? In this work we consider a broad range of previous definitions and perspectives on memorisation in ML, discuss their interplay with model generalisation and their implications of these phenomena on data privacy. We then propose a framework to reason over what memorisation means in the context of ML training under the prism of individual sample’s influence on the model. Moreover, we systematise methods allowing practitioners to detect the occurrence of memorisation or quantify it and contextualise our findings in a broad range of ML learning settings. Finally, we discuss memorisation in the context of privacy attacks, differential privacy and adversarial actors.
Georgios Kaissis
Dr.
* Former Member
Human motion analysis and biomechanics are fundamental in a clinical environment, and together, they provide relevant and precise information towards diagnosing numerous neurodegenerative conditions such as stroke, Parkinson’s disease, Alzheimer’s disease, multiple sclerosis, etc. In most neurological disorders, walking is commonly impacted, where performance, quantity, and quality are affected. Thus, motion analysis aims at understanding the cause of altered motion patterns, mainly assisting with the prevention, identification, and rehabilitation. Usually, motion analysis assessment relies on the patient’s self-report and the practitioner’s visually assessed observations. Therefore, such assessments are often subjective and susceptible to human-induced error. In contrast, sophisticated devices can provide quantitative accuracy by equipping practitioners with precise, reliable, and objective measurements to simultaneously monitor an extensive set of parameters for gait analysis (e.g., 3D joint kinematics, muscle activation patterns, muscle forces, and coordination patterns). This book chapter addresses the challenges and describes the technological solutions considered when moving out of the lab condition to the real-world environments, in this case, the clinical setting.
Statistics, Data Science and Machine Learning
The unwavering success of deep learning in the past decade led to the increasing prevalence of deep learning methods in various application fields. However, the downsides of deep learning, most prominently its lack of trustworthiness, may not be compatible with safety-critical or high-responsibility applications requiring stricter performance guarantees. Recently, several instances of deep learning applications have been shown to be subject to theoretical limitations of computability, undermining the feasibility of performance guarantees when employed on real-world computers. We extend the findings by studying computability in the deep learning framework from two perspectives: From an application viewpoint in the context of classification problems and a general limitation viewpoint in the context of training neural networks. In particular, we show restrictions on the algorithmic solvability of classification problems that also render the algorithmic detection of failure in computations in a general setting infeasible. Subsequently, we prove algorithmic limitations in training deep neural networks even in cases where the underlying problem is well-behaved. Finally, we end with a positive observation, showing that in quantized versions of classification and deep network training, computability restrictions do not arise or can be overcome to a certain degree.
Mathematical Foundations of Artificial Intelligence
Mathematical Foundations of Artificial Intelligence
We consider linear non-Gaussian structural equation models that involve latent confounding. In this setting, the causal structure is identifiable, but, in general, it is not possible to identify the specific causal effects. Instead, a finite number of different causal effects result in the same observational distribution. Most existing algorithms for identifying these causal effects use overcomplete independent component analysis (ICA), which often suffers from convergence to local optima. Furthermore, the number of latent variables must be known a priori. To address these issues, we propose an algorithm that operates recursively rather than using overcomplete ICA. The algorithm first infers a source, estimates the effect of the source and its latent parents on their descendants, and then eliminates their influence from the data. For both source identification and effect size estimation, we use rank conditions on matrices formed from higher-order cumulants. We prove asymptotic correctness under the mild assumption that locally, the number of latent variables never exceeds the number of observed variables. Simulation studies demonstrate that our method achieves comparable performance to overcomplete ICA even though it does not know the number of latents in advance.
Advances in technology have made humans more productive at work but often at the cost of wellbeing, with issues like sedentary behavior, social isolation, and excessive screen time affecting modern knowledge workers. Despite efforts to introduce healthy interventions, such as standing desks, uptake remains low due to the intention-behavior gap. This thesis explores ways to design technology that encourages healthy behaviors, using passive and active behavior change methods to motivate users, and proposes a design framework for ethical behavior change technologies that promote a healthier, more productive workplace. (Shortened).
A growing body of literature in fairness-aware ML aspires to mitigate machine learning (ML)-related unfairness in automated decision-making (ADM) by defining metrics that measure the fairness of an ML model and by proposing methods that ensure that trained ML models achieve low values in those metrics (see, e.g., Verma & Rubin, 2018, Caton & Haas, 2023). However, the underlying concept of fairness, i.e., the question of what fairness is, is rarely discussed, leaving a considerable gap between centuries of philosophical discussion and the recent adoption of the concept in the ML community. We bridge this gap by formalizing a consistent concept of fairness and translating the philosophical considerations into a formal framework for training and evaluating ML models in ADM systems (Bothmann et al., 2024). We argue why and how causal considerations are necessary when assessing fairness in the presence of protected attributes (PAs) by proposing a fictitious, normatively desired (FiND) world where the PAs have no (direct or indirect) causal effect on the target. In practice, this unknown FiND world must be approximated by a warped world, for which the causal effects of the PAs must be removed from the real-world data. We propose rank-preserving interventional distributions to define an estimand of this FiND world and a warping method for estimation (Bothmann et al., 2023). Evaluation criteria for both the method and the resulting ML model are presented. Experiments on simulated data show that our method effectively identifies the most discriminated individuals and mitigates unfairness. Experiments on real-world data showcase the practical application of our method.
Statistical Learning and Data Science
Susanne Dandl
Dr.
* Former Member
Statistical Learning and Data Science
This work presents the first large-scale neutral benchmark experiment focused on single-event, right-censored, low-dimensional survival data. Benchmark experiments are essential in methodological research to scientifically compare new and existing model classes through proper empirical evaluation. Existing benchmarks in the survival literature are often narrow in scope, focusing, for example, on high-dimensional data. Additionally, they may lack appropriate tuning or evaluation procedures, or are qualitative reviews, rather than quantitative comparisons. This comprehensive study aims to fill the gap by neutrally evaluating a broad range of methods and providing generalizable conclusions. We benchmark 18 models, ranging from classical statistical approaches to many common machine learning methods, on 32 publicly available datasets. The benchmark tunes for both a discrimination measure and a proper scoring rule to assess performance in different settings. Evaluating on 8 survival metrics, we assess discrimination, calibration, and overall predictive performance of the tested models. Using discrimination measures, we find that no method significantly outperforms the Cox model. However, (tuned) Accelerated Failure Time models were able to achieve significantly better results with respect to overall predictive performance as measured by the right-censored log-likelihood. Machine learning methods that performed comparably well include Oblique Random Survival Forests under discrimination, and Cox-based likelihood-boosting under overall predictive performance. We conclude that for predictive purposes in the standard survival analysis setting of low-dimensional, right-censored data, the Cox Proportional Hazards model remains a simple and robust method, sufficient for practitioners.
Statistical Learning and Data Science
Statistical Learning and Data Science
Machine Learning Consulting Unit (MLCU)
When it comes to computation, it is often said that high-dimensional data is particularly challenging, known as the curse of dimensionality. For example, in their seminal work, Beyer et al [1] study the impact of high-dimensional data on nearest neighbor computation. They show that in a wide range of settings, including IID data, the difference between the distance to the nearest neighbor and the distance to the most distant neighbor vanishes as the dimension increases. However, it is arguably often overlooked that they also point out that this result does not hold in certain situations, in particular when the intrinsic dimension of the data is low and/or when the data is distributed in well separable subsets. More generally, it is probably less well known that high dimensionality can make computation easier, to the extent that Kainen [2] even speaks of a blessing of dimensionality. Given these different aspects, a natural question to ask is: when is high dimensionality a curse and when is it not (or even a blessing)? In this talk we approach this question from a geometric point of view. Focusing on the aspect of nearest neighbor (and hence distance) computation, we show that high-dimensional data need not be more challenging than low-dimensional data in many practically relevant situations. In particular, using results from extensive experiments on synthetic and real data, we show that this can be the case for both outlier detection and cluster analysis, and for a range of different data types, including image and functional data [3, 4]. Moreover, based on concepts from manifold learning and topological data analysis, we show that these observations can be explained using a common conceptual foundation.
Biometry in Molecular Medicine
Parameter-efficient finetuning (PEFT) has become ubiquitous to adapt foundation models to downstream task requirements while retaining their generalization ability. However, the amount of additionally introduced parameters and compute for successful adaptation and hyperparameter searches can explode quickly, especially when deployed at scale to serve numerous individual requests. To ensure effective, parameter-efficient, and hyperparameter-robust adaptation, we propose the ETHER transformation family, which performs Efficient fineTuning via HypErplane Reflections. By design, ETHER transformations require a minimal number of parameters, are less likely to deteriorate model performance, and exhibit robustness to hyperparameter and learning rate choices. In particular, we introduce ETHER and its relaxation ETHER+, which match or outperform existing PEFT methods with significantly fewer parameters (∼10-100 times lower than LoRA or OFT) across multiple image synthesis and natural language tasks without exhaustive hyperparameter tuning. Finally, we investigate the recent emphasis on Hyperspherical Energy retention for adaptation and raise questions on its practical utility.
Neural additive models (NAMs) enhance the transparency of deep neural networks by handling input features in separate additive sub-networks. However, they lack inherent mechanisms that provide calibrated uncertainties and enable selection of relevant features and interactions. Approaching NAMs from a Bayesian perspective, we augment them in three primary ways, namely by a) providing credible intervals for the individual additive sub-networks; b) estimating the marginal likelihood to perform an implicit selection of features via an empirical Bayes procedure; and c) facilitating the ranking of feature pairs as candidates for second-order interaction in fine-tuned models. In particular, we develop Laplace-approximated NAMs (LA-NAMs), which show improved empirical performance on tabular datasets and challenging real-world medical tasks.
Using feature attributions for post-hoc explanations is a common practice to understand and verify the predictions of opaque machine learning models. Despite the numerous techniques available, individual methods often produce inconsistent and unstable results, putting their overall reliability into question. In this work, we aim to systematically improve the quality of feature attributions by combining multiple explanations across distinct methods or their variations. For this purpose, we propose a novel approach to derive optimal convex combinations of feature attributions that yield provable improvements of desired quality criteria such as robustness or faithfulness to the model behavior. Through extensive experiments involving various model architectures and popular feature attribution techniques, we demonstrate that our combination strategy consistently outperforms individual methods and existing baselines.
Whether future AI models are fair, trustworthy, and aligned with the public’s interests rests in part on our ability to collect accurate data about what we want the models to do. However, collecting high-quality data is difficult, and few AI/ML researchers are trained in data collection methods. Recent research in data-centric AI has show that higher quality training data leads to better performing models, making this the right moment to introduce AI/ML researchers to the field of survey methodology, the science of data collection. We summarize insights from the survey methodology literature and discuss how they can improve the quality of training and feedback data. We also suggest collaborative research ideas into how biases in data collection can be mitigated, making models more accurate and human-centric.
Algorithmic decision-making in practice must be fair for legal, ethical, and societal reasons. To achieve this, prior research has contributed various approaches that ensure fairness in machine learning predictions, while comparatively little effort has focused on fairness in decision-making, specifically off-policy learning. In this paper, we propose a novel framework for fair off-policy learning: we learn decision rules from observational data under different notions of fairness, where we explicitly assume that observational data were collected under a different – potentially discriminatory – behavioral policy. Importantly, our framework applies to different fairness notions for off-policy learning, where fairness is formalized based on actions or policy values. As our main contribution, we propose a neural network-based framework to learn optimal policies under different fairness notions. We further provide theoretical guarantees in the form of generalization bounds for the finite-sample version of our framework. We demonstrate the effectiveness of our framework through extensive numerical experiments using both simulated and real-world data. Altogether, our work enables algorithmic decision-making in a wide array of practical applications where fairness must be ensured.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
The Shapley value (SV) is a prevalent approach of allocating credit to machine learning (ML) entities to understand black box ML models. Enriching such interpretations with higher-order interactions is inevitable for complex systems, where the Shapley Interaction Index (SII) is a direct axiomatic extension of the SV. While it is well-known that the SV yields an optimal approximation of any game via a weighted least square (WLS) objective, an extension of this result to SII has been a long-standing open problem, which even led to the proposal of an alternative index. In this work, we characterize higher-order SII as a solution to a WLS problem, which constructs an optimal approximation via SII and k-Shapley values (k-SII). We prove this representation for the SV and pairwise SII and give empirically validated conjectures for higher orders. As a result, we propose KernelSHAP-IQ, a direct extension of KernelSHAP for SII, and demonstrate state-of-the-art performance for feature interactions.
Artificial Intelligence and Machine Learning
Artificial Intelligence and Machine Learning
We warn against a common but incomplete understanding of empirical research in machine learning (ML) that leads to non-replicable results, makes findings unreliable, and threatens to undermine progress in the field. To overcome this alarming situation, we call for more awareness of the plurality of ways of gaining knowledge experimentally but also of some epistemic limitations. In particular, we argue most current empirical ML research is fashioned as confirmatory research while it should rather be considered exploratory.
Biometry in Molecular Medicine
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Biometry in Molecular Medicine
Statistical Learning and Data Science
In differentially private (DP) machine learning, the privacy guarantees of DP mechanisms are often reported and compared on the basis of a single pε,δq-pair. This practice overlooks that DP guarantees can vary substantially even between mechanisms sharing a given pε,δq, and potentially introduces privacy vulnerabilities which can remain undetected. This motivates the need for robust, rigorous methods for comparing DP guarantees in such cases. Here, we introduce the ∆-divergence between mechanisms which quantifies the worst-case excess privacy vulnerability of choosing one mechanism over another in terms of pε,δq, f-DP and in terms of a newly presented Bayesian interpretation. Moreover, as a generalisation of the Blackwell theorem, it is endowed with strong decision-theoretic foundations. Through application examples, we show that our techniques can facilitate informed decision-making and reveal gaps in the current understanding of privacy risks, as current practices in DP-SGD often result in choosing mechanisms with high excess privacy vulnerabilities.
Georgios Kaissis
Dr.
* Former Member
Publications proposing novel machine learning methods are often primarily rated by exhibited predictive performance on selected problems. In this position paper we argue that predictive performance alone is not a good indicator for the worth of a publication. Using it as such even fosters problems like inefficiencies of the machine learning research community as a whole and setting wrong incentives for researchers. We therefore put out a call for the publication of “negative” results, which can help alleviate some of these problems and improve the scientific output of the machine learning research community. To substantiate our position, we present the advantages of publishing negative results and provide concrete measures for the community to move towards a paradigm where their publication is normalized.
Statistical Learning and Data Science
Automated machine learning (AutoML) was formed around the fundamental objectives of automatically and efficiently configuring machine learning (ML) workflows, aiding the research of new ML algorithms, and contributing to the democratization of ML by making it accessible to a broader audience. Over the past decade, commendable achievements in AutoML have primarily focused on optimizing predictive performance. This focused progress, while substantial, raises questions about how well AutoML has met its broader, original goals. In this position paper, we argue that a key to unlocking AutoML’s full potential lies in addressing the currently underexplored aspect of user interaction with AutoML systems, including their diverse roles, expectations, and expertise. We envision a more human-centered approach in future AutoML research, promoting the collaborative design of ML systems that tightly integrates the complementary strengths of human expertise and AutoML methodologies.
Statistical Learning and Data Science
Julia Moosbauer
Dr.
* Former Member
Statistical Learning and Data Science
Statistical Learning and Data Science
In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.
Statistics, Data Science and Machine Learning
The complexity of black-box algorithms can lead to various challenges, including the introduction of biases. These biases present immediate risks in the algorithms’ application. It was, for instance, shown that neural networks can deduce racial information solely from a patient’s X-ray scan, a task beyond the capability of medical experts. If this fact is not known to the medical expert, automatic decision-making based on this algorithm could lead to prescribing a treatment (purely) based on racial information. While current methodologies allow for the ‘‘orthogonalization’’ or ‘’normalization’’ of neural networks with respect to such information, existing approaches are grounded in linear models. Our paper advances the discourse by introducing corrections for non-linearities such as ReLU activations. Our approach also encompasses scalar and tensor-valued predictions, facilitating its integration into neural network architectures. Through extensive experiments, we validate our method’s effectiveness in safeguarding sensitive data in generalized linear models, normalizing convolutional neural networks for metadata, and rectifying pre-existing embeddings for undesired attributes.
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Computational Statistics & Data Science
In the past couple of years, various approaches to representing and quantifying different types of predictive uncertainty in machine learning, notably in the setting of classification, have been proposed on the basis of second-order probability distributions, i.e., predictions in the form of distributions on probability distributions. A completely conclusive solution has not yet been found, however, as shown by recent criticisms of commonly used uncertainty measures associated with second-order distributions, identifying undesirable theoretical properties of these measures. In light of these criticisms, we propose a set of formal criteria that meaningful uncertainty measures for predictive uncertainty based on second-order distributions should obey. Moreover, we provide a general framework for developing uncertainty measures to account for these criteria, and offer an instantiation based on the Wasserstein distance, for which we prove that all criteria are satisfied.
Estimating the conditional average treatment effect (CATE) from observational data is relevant for many applications such as personalized medicine. Here, we focus on the widespread setting where the observational data come from multiple environments, such as different hospitals, physicians, or countries. Furthermore, we allow for violations of standard causal assumptions, namely, overlap within the environments and unconfoundedness. To this end, we move away from point identification and focus on partial identification. Specifically, we show that current assumptions from the literature on multiple environments allow us to interpret the environment as an instrumental variable (IV). This allows us to adapt bounds from the IV literature for partial identification of CATE by leveraging treatment assignment mechanisms across environments. Then, we propose different model-agnostic learners (so-called meta-learners) to estimate the bounds that can be used in combination with arbitrary machine learning models. We further demonstrate the effectiveness of our meta-learners across various experiments using both simulated and real-world data. Finally, we discuss the applicability of our meta-learners to partial identification in instrumental variable settings, such as randomized controlled trials with non-compliance.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON’s computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective.
A major challenge in sample-based inference (SBI) for Bayesian neural networks is the size and structure of the networks’ parameter space. Our work shows that successful SBI is possible by embracing the characteristic relationship between weight and function space, uncovering a systematic link between overparameterization and the difficulty of the sampling problem. Through extensive experiments, we establish practical guidelines for sampling and convergence diagnosis. As a result, we present a Bayesian deep ensemble approach as an effective solution with competitive performance and uncertainty quantification.
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
We show that utilizing attribution maps for training neural networks can improve regularization of models and thus increase performance. Regularization is key in deep learning, especially when training complex models on relatively small datasets. In order to understand inner workings of neural networks, attribution methods such as Layer-wise Relevance Propagation (LRP) have been extensively studied, particularly for interpreting the relevance of input features. We introduce Challenger, a module that leverages the explainable power of attribution maps in order to manipulate particularly relevant input patterns. Therefore, exposing and subsequently resolving regions of ambiguity towards separating classes on the ground-truth data manifold, an issue that arises particularly when training models on rather small datasets. Our Challenger module increases model performance through building more diverse filters within the network and can be applied to any input data domain. We demonstrate that our approach results in substantially better classification as well as calibration performance on datasets with only a few samples up to datasets with thousands of samples. In particular, we show that our generic domain-independent approach yields state-of-the-art results in vision, natural language processing and on time series tasks.
Mathematical Statistics
Existing studies have shown that Graph Neural Networks (GNNs) are vulnerable to adversarial attacks. Even though Graph Transformers (GTs) surpassed Message-Passing GNNs on several benchmarks, their adversarial robustness properties are unexplored. However, attacking GTs is challenging due to their Positional Encodings (PEs) and special attention mechanisms which can be difficult to differentiate. We overcome these challenges by targeting three representative architectures based on (1) random-walk PEs, (2) pair-wise-shortest-path PEs, and (3) spectral PEs - and propose the first adaptive attacks for GTs. We leverage our attacks to evaluate robustness to (a) structure perturbations on node classification; and (b) node injection attacks for (fake-news) graph classification. Our evaluation reveals that they can be catastrophically fragile and underlines our work’s importance and the necessity for adaptive attacks.
We introduce SA-DQAS in this paper, a novel framework that enhances the gradient-based Differentiable Quantum Architecture Search (DQAS) with a self-attention mechanism, aimed at optimizing circuit design for Quantum Machine Learning (QML) challenges. Analogous to a sequence of words in a sentence, a quantum circuit can be viewed as a sequence of placeholders containing quantum gates. Unlike DQAS, each placeholder is independent, while the self-attention mechanism in SA-DQAS helps to capture relation and dependency information among each operation candidate placed on placeholders in a circuit. To evaluate and verify, we conduct experiments on job-shop scheduling problems (JSSP), Max-cut problems, and quantum fidelity. Incorporating self-attention improves the stability and performance of the resulting quantum circuits and refines their structural design with higher noise resilience and fidelity. Our research demonstrates the first successful integration of self-attention with DQAS.
Automated decision-making (ADM) systems are being deployed across a diverse range of critical problem areas such as social welfare and healthcare. Recent work highlights the importance of causal ML models in ADM systems, but implementing them in complex social environments poses significant challenges. Research on how these challenges impact the performance in specific downstream decision-making tasks is limited. Addressing this gap, we make use of a comprehensive real-world dataset of jobseekers to illustrate how the performance of a single CATE model can vary significantly across different decision-making scenarios and highlight the differential influence of challenges such as distribution shifts on predictions and allocations.
Social Data Science and AI
Learning disentangled representations from unlabelled data is a fundamental challenge in machine learning. Solving it may unlock other problems, such as generalization, interpretability, or fairness. Although remarkably challenging to solve in theory, disentanglement is often achieved in practice through prior matching. Furthermore, recent works have shown that prior matching approaches can be enhanced by leveraging geometrical considerations, e.g., by learning representations that preserve geometric features of the data, such as distances or angles between points. However, matching the prior while preserving geometric features is challenging, as a mapping that fully preserves these features while aligning the data distribution with the prior does not exist in general. To address these challenges, we introduce a novel approach to disentangled representation learning based on quadratic optimal transport. We formulate the problem using Gromov-Monge maps that transport one distribution onto another with minimal distortion of predefined geometric features, preserving them as much as can be achieved. To compute such maps, we propose the Gromov-Monge-Gap (GMG), a regularizer quantifying whether a map moves a reference distribution with minimal geometry distortion. We demonstrate the effectiveness of our approach for disentanglement across four standard benchmarks, outperforming other methods leveraging geometric considerations.
Reinforcement learning (RL) solves complicated motion planning tasks for autonomous vehicles. Current RL methods lack safety guarantees. This dissertation combines RL with formal methods that verify safety specifications so that only verified actions are executed. The safe RL approaches are developed for autonomous vehicles and their complex safety specifications. The evaluation confirms the safety guarantees and real-time capability.
Understanding the decisions of tree-based ensembles and their relationships is pivotal for machine learning model interpretation. Recent attempts to mitigate the human-in-the-loop interpretation challenge have explored the extraction of the decision structure underlying the model taking advantage of graph simplification and path emphasis. However, while these efforts enhance the visualisation experience, they may either result in a visually complex representation or compromise the interpretability of the original ensemble model. In addressing this challenge, especially in complex scenarios, we introduce the Decision Predicate Graph (DPG) as a model-specific tool to provide a global interpretation of the model. DPG is a graph structure that captures the tree-based ensemble model and learned dataset details, preserving the relations among features, logical decisions, and predictions towards emphasising insightful points. Leveraging well-known graph theory concepts, such as the notions of centrality and community, DPG offers additional quantitative insights into the model, complementing visualisation techniques, expanding the problem space descriptions, and offering diverse possibilities for extensions. Empirical experiments demonstrate the potential of DPG in addressing traditional benchmarks and complex classification scenarios.
Database Systems and Data Mining
Counterfactual explanations elucidate algorithmic decisions by pointing to scenarios that would have led to an alternative, desired outcome. Giving insight into the model’s behavior, they hint users towards possible actions and give grounds for contesting decisions. As a crucial factor in achieving these goals, counterfactuals must be plausible, i.e., describing realistic alternative scenarios within the data manifold. This paper leverages a recently developed generative modeling technique – adversarial random forests (ARFs) – to efficiently generate plausible counterfactuals in a model-agnostic way. ARFs can serve as a plausibility measure or directly generate counterfactual explanations. Our ARF-based approach surpasses the limitations of existing methods that aim to generate plausible counterfactual explanations: It is easy to train and computationally highly efficient, handles continuous and categorical data naturally, and allows integrating additional desiderata such as sparsity in a straightforward manner.
Susanne Dandl
Dr.
* Former Member
Statistical Learning and Data Science
While machine learning (ML) models are increasingly used due to their high predictive power, their use in understanding the data-generating process (DGP) is limited. Understanding the DGP requires insights into feature-target associations, which many ML models cannot directly provide due to their opaque internal mechanisms. Feature importance (FI) methods provide useful insights into the DGP under certain conditions. Since the results of different FI methods have different interpretations, selecting the correct FI method for a concrete use case is crucial and still requires expert knowledge. This paper serves as a comprehensive guide to help understand the different interpretations of global FI methods. Through an extensive review of FI methods and providing new proofs regarding their interpretation, we facilitate a thorough understanding of these methods and formulate concrete recommendations for scientific inference. We conclude by discussing options for FI uncertainty estimation and point to directions for future research aiming at full statistical inference from black-box ML models.
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Over the last decade, the Shapley value has become one of the most widely applied tools to provide post-hoc explanations for black box models. However, its theoretically justified solution to the problem of dividing a collective benefit to the members of a group, such as features or data points, comes at a price. Without strong assumptions, the exponential number of member subsets excludes an exact calculation of the Shapley value. In search for a remedy, recent works have demonstrated the efficacy of approximations based on sampling with stratification, in which the sample space is partitioned into smaller subpopulations. The effectiveness of this technique mainly depends on the degree to which the allocation of available samples over the formed strata mirrors their unknown variances. To uncover the hypothetical potential of stratification, we investigate the gap in approximation quality caused by the lack of knowledge of the optimal allocation. Moreover, we combine recent advances to propose two state-of-the-art algorithms Adaptive SVARM and Continuous Adaptive SVARM that adjust the sample allocation on-the-fly. The potential of our approach is assessed in an empirical evaluation.
Artificial Intelligence and Machine Learning
The recently developed Prior-Data Fitted Networks (PFNs) have shown very promising results for applications in low-data regimes. The TabPFN model, a special case of PFNs for tabular data, is able to achieve state-of-the-art performance on a variety of classification tasks while producing posterior predictive distributions in mere seconds by in-context learning without the need for learning parameters or hyperparameter tuning. This makes TabPFN a very attractive option for a wide range of domain applications. However, a major drawback of the method is its lack of interpretability. Therefore, we propose several adaptations of popular interpretability methods that we specifically design for TabPFN. By taking advantage of the unique properties of the model, our adaptations allow for more efficient computations than existing implementations. In particular, we show how in-context learning facilitates the estimation of Shapley values by avoiding approximate retraining and enables the use of Leave-One-Covariate-Out (LOCO) even when working with large-scale Transformers. In addition, we demonstrate how data valuation methods can be used to address scalability challenges of TabPFN.
Statistical Learning and Data Science
Statistics, Data Science and Machine Learning
Statistical Learning and Data Science
Computational Statistics & Data Science
Statistics, Data Science and Machine Learning
Understanding how assignments of instances to clusters can be attributed to the features can be vital in many applications. However, research to provide such feature attributions has been limited. Clustering algorithms with built-in explanations are scarce. Common algorithm-agnostic approaches involve dimension reduction and subsequent visualization, which transforms the original features used to cluster the data; or training a supervised learning classifier on the found cluster labels, which adds additional and intractable complexity. We present FACT (feature attributions for clustering), an algorithm-agnostic framework that preserves the integrity of the data and does not introduce additional models. As the defining characteristic of FACT, we introduce a set of work stages: sampling, intervention, reassignment, and aggregation. Furthermore, we propose two novel FACT methods: SMART (scoring metric after permutation) measures changes in cluster assignments by custom scoring functions after permuting selected features; IDEA (isolated effect on assignment) indicates local and global changes in cluster assignments after making uniform changes to selected features.
Statistical Consulting Unit (StaBLab)
Statistical Learning and Data Science
This work introduces a novel R package for concise, informative summaries of machine learning models. We take inspiration from the summary function for (generalized) linear models in R, but extend it in several directions: First, our summary function is model-agnostic and provides a unified summary output also for non-parametric machine learning models; Second, the summary output is more extensive and customizable – it comprises information on the dataset, model performance, model complexity, model’s estimated feature importances, feature effects, and fairness metrics; Third, models are evaluated based on resampling strategies for unbiased estimates of model performances, feature importances, etc. Overall, the clear, structured output should help to enhance and expedite the model selection process, making it a helpful tool for practitioners and researchers alike.
Susanne Dandl
Dr.
* Former Member
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
We address the problem of uncertainty quantification for graph-structured data, or, more specifically, the problem to quantify the predictive uncertainty in (semi-supervised) node classification. Key questions in this regard concern the distinction between two different types of uncertainty, aleatoric and epistemic, and how to support uncertainty quantification by leveraging the structural information provided by the graph topology. Challenging assumptions and postulates of state-of-the-art methods, we propose a novel approach that represents (epistemic) uncertainty in terms of mixtures of Dirichlet distributions and refers to the established principle of linear opinion pooling for propagating information between neighbored nodes in the graph. The effectiveness of this approach is demonstrated in a series of experiments on a variety of graph-structured datasets.
Neural network representations of simple models, such as linear regression, are being studied increasingly to better understand the underlying principles of deep learning algorithms. However, neural representations of distributional regression models, such as the Cox model, have received little attention so far. We close this gap by proposing a framework for distributional regression using inverse flow transformations (DRIFT), which includes neural representations of the aforementioned models. We empirically demonstrate that the neural representations of models in DRIFT can serve as a substitute for their classical statistical counterparts in several applications involving continuous, ordered, time-series, and survival outcomes. We confirm that models in DRIFT empirically match the performance of several statistical methods in terms of estimation of partial effects, prediction, and aleatoric uncertainty quantification. DRIFT covers both interpretable statistical models and flexible neural networks opening up new avenues in both statistical modeling and deep learning.
Statistical Learning and Data Science
Statistical Learning and Data Science
Emilio Dorigatti
Dr.
* Former Member
Statistics, Data Science and Machine Learning
We present a novel approach to uncertainty quantification in classification tasks based on label-wise decomposition of uncertainty measures. This label-wise perspective allows uncertainty to be quantified at the individual class level, thereby improving cost-sensitive decision-making and helping understand the sources of uncertainty. Furthermore, it allows to define total, aleatoric, and epistemic uncertainty on the basis of non-categorical measures such as variance, going beyond common entropy-based measures. In particular, variance-based measures address some of the limitations associated with established methods that have recently been discussed in the literature. We show that our proposed measures adhere to a number of desirable properties. Through empirical evaluation on a variety of benchmark data sets – including applications in the medical domain where accurate uncertainty quantification is crucial – we establish the effectiveness of label-wise uncertainty quantification.
Artificial Intelligence and Machine Learning
Statistical Learning and Data Science
Computational Statistics & Data Science
Post-traumatic stress disorder (PTSD) is a prevalent disorder that can develop in people who have experienced very stressful, shocking, or distressing events. It has great influence on peoples’ daily life and can affect their mental, physical, or social wellbeing, which is why a timely and professional treatment is required. In this paper, we propose a personalised speech-based PTSD prediction approach using a newly collected dataset which consists of 15 participants, including speech recordings from people with PTSD and healthy controls. In addition, the dataset includes data before and after a clinical intervention so that the prediction can be analysed at different points in time. In our experiments, we demonstrate the superiority of the personalised approach, achieving a best area under the ROC curve (AUC) of 82% and a best relative improvement of 7% points compared to the non-personalised model.
U-Net has been demonstrated to be effective for the task of medical image segmentation. Additionally, integrating attention mechanism into U-Net has been shown to yield significant benefits. The Shape Attentive U-Net (SAUNet) is one such recently proposed attention U-Net that also focuses on interpretability. Furthermore, recent research has focused on identification and reporting of corner cases in segmentation to accelerate the utilisation of deep learning models in clinical practise. However, achieving good model performance on such corner cases is a less-explored research area. In this paper, we propose CBAM_SAUNet which enhances the dual attention decoder block of SAUNet to improve its performance on corner cases. We achieve this by utilising a novel variant of the Convolutional Block Attention Module (CBAM)’s channel attention in the decoder block of SAUNet. We demonstrate the effectiveness of CBAM_SAUNet in the Automated Cardiac Diagnosis Challenge (ACDC) cardiac MRI segmentation challenge. Our proposed novel approach results in improvement in the Dice scores of 12% for Left Ventricle (LV) as well as Right Ventricle (RV) segmentation and 8% for Myocardium (MYO) for the identified corner-case dataset.
As a growing number of people focus on understanding their bodies, the menstrual cycle and its impact on reproduction are gaining attention. Several studies have shown that the voice changes during the menstrual cycle. However, existing research primarily employs comparative analysis to detect these differences. This paper proposes using machine learning methods to analyse paralinguistic features extracted from women’s voices for predicting menstrual cycle phases. We leverage available data recorded during the menstrual and late follicular phases of 44 naturally cycling women. Using eight paralinguistic features, we achieve an accuracy of 60%, showcasing the feasibility of classifying those two phases using speech signals. We discuss implications and suggest future research avenues, such as the need to use personalised approaches.
Piecewise Exponential Additive Mixed Models (PAMMs) (Bender et al., 2018) have gained popularity in various domains due to their ability to tackle a wide variety of survival problems and their flexibility to model non-linear covariate effects, including time-varying effects and cumulative effects (Bender et al., 2019). One advantage of such reduction techniques is that they do not require any specialised software for the estimation of the model parameters. Thus, in the case of the PAMM, they can be conveniently estimated using generalized additive mixed modeling methodology or, for example, respective boosting or deep learning based approaches (Bender et al., 2022). Nevertheless, their use in practice requires pre-processing, which differs depending on the survival task at hand (e.g. left-truncation, competing risks, etc.) and post-processing (e.g. transforming estimated parameters to useful quantities like survival or transition probabilities). The R package pammtools facilitates the entire modeling process, so far, however, only for single-event data. Here we extend the framework and package capabilities to handle general multi-state models.
Statistical Consulting Unit (StaBLab)
Statistical Consulting Unit (StaBLab)
Machine Learning Consulting Unit (MLCU)
Medical domain applications require a detailed understanding of the decision making process, in particular when data-driven modeling via machine learning is involved, and quantifying uncertainty in the process adds trust and interpretability to predictive models. However, current uncertainty measures in medical imaging are mostly monolithic and do not distinguish between different sources and types of uncertainty. In this paper, we advocate the distinction between so-called aleatoric and epistemic uncertainty in the medical domain and illustrate its potential in clinical decision making for the case of PET/CT image classification.
This work introduces a novel R package for concise, informative summaries of machine learning models. We take inspiration from the summary function for (generalized) linear models in R, but extend it in several directions: First, our summary function is model-agnostic and provides a unified summary output also for non-parametric machine learning models; Second, the summary output is more extensive and customizable – it comprises information on the dataset, model performance, model complexity, model’s estimated feature importances, feature effects, and fairness metrics; Third, models are evaluated based on resampling strategies for unbiased estimates of model performances, feature importances, etc. Overall, the clear, structured output should help to enhance and expedite the model selection process, making it a helpful tool for practitioners and researchers alike.
Susanne Dandl
Dr.
* Former Member
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
Statistical Learning and Data Science
mlr3torch is a deep learning framework for the mlr3 ecosystem built on top of torch. It allows to easily build, train and evaluate deep learning models in a few lines of codes, without needing to worry about low-level details. Off-the-shelf learners are readily available, but custom architectures can be defined by connecting PipeOpTorch operators in an mlr3pipelines::Graph.
Statistical Learning and Data Science
Statistical Learning and Data Science
The lack of trustworthiness is a major downside of deep learning. To mitigate the associated risks clear obligations of deep learning models have been proposed via regulatory guidelines. Therefore, a crucial question is to what extent trustworthy deep learning can be realized. Establishing trust-worthiness requires that the factors influencing an algorithmic computation can be retraced, i.e., the algorithmic implementation is transparent. Motivated by the observation that the current evolution of deep learning models necessitates a change in computing technology, we derive a mathematical framework that enables us to analyze whether a transparent implementation in a given computing model is feasible. We exemplarily apply our trustworthiness framework to analyze deep learning approaches for inverse problems in digital and analog computing models represented by Turing and Blum-Shub-Smale Machines, respectively. Based on previous results, we find that Blum-Shub-Smale Machines have the potential to establish trustworthy solvers for inverse problems under fairly general conditions, whereas, Turing machines cannot guarantee trustworthiness to the same degree. For a longer version of this paper with more details and proofs, we refer to [1].
Mathematical Foundations of Artificial Intelligence
The automation of chest X-ray reporting has garnered significant interest due to the time-consuming nature of the task. However, the clinical accuracy of free-text reports has proven challenging to quantify using natural language processing metrics, given the complexity of medical information, the variety of writing styles, and the potential for typos and inconsistencies. Structured reporting and standardized reports, on the other hand, can provide consistency and formalize the evaluation of clinical correctness. However, high-quality annotations for structured reporting are scarce. Therefore, we propose a method to predict clinical findings defined by sentences in structured reporting templates, which can be used to fill such templates. The approach involves training a contrastive language-image model using chest X-rays and related free-text radiological reports, then creating textual prompts for each structured finding and optimizing a classifier to predict clinical findings in the medical image. Results show that even with limited image-level annotations for training, the method can accomplish the structured reporting tasks of severity assessment of cardiomegaly and localizing pathologies in chest X-rays.
Computer Aided Medical Procedures & Augmented Reality
Computer Aided Medical Procedures & Augmented Reality
Differential diagnosis of dementia is challenging due to overlapping symptoms, with structural magnetic resonance imaging (MRI) being the primary method for diagnosis. Despite the clinical value of computer-aided differential diagnosis, research has been limited, mainly due to the absence of public datasets that contain diverse types of dementia. This leaves researchers with small in-house datasets that are insufficient for training deep neural networks (DNNs). Self-supervised learning shows promise for utilizing unlabeled MRI scans in training, but small batch sizes for volumetric brain scans make its application challenging. To address these issues, we propose Triplet Training for differential diagnosis with limited target data. It consists of three key stages: (i) self-supervised pre-training on unlabeled data with Barlow Twins, (ii) self-distillation on task-related data, and (iii) fine-tuning on the target dataset. Our approach significantly outperforms traditional training strategies, achieving a balanced accuracy of 75.6%. We further provide insights into the training process by visualizing changes in the latent space after each step. Finally, we validate the robustness of Triplet Training in terms of its individual components in a comprehensive ablation study.
This paper investigates the remaining useful lifetime (RUL) estimation of bearings under dynamic, i.e., time-varying, operating conditions (OC). Unlike conventional studies that assume constant OC in bearing accelerated life tests, we introduce a dataset with time-varying OC during run-to-failure experiments, simulating real-world scenarios. We explore data-driven approaches to identify the transition point from a healthy to an unhealthy state and estimate the RUL. Additionally, we examine strategies for integrating OC information to enhance RUL estimations. These methodologies are evaluated through numerical experiments using various machine learning algorithms.
Artificial Intelligence and Machine Learning
We study the convergence properties of gradient descent for training deep linear neural networks, i.e., deep matrix factorizations, by extending a previous analysis for the related gradient flow. We show that under suitable conditions on the stepsizes gradient descent converges to a critical point of the loss function, i.e., the square loss in this article. Furthermore, we demonstrate that for almost all initializations gradient descent converges to a global minimum in the case of two layers. In the case of three or more layers, we show that gradient descent converges to a global minimum on the manifold matrices of some fixed rank, where the rank cannot be determined a priori.
Mathematical Data Science and Artificial Intelligence
Mathematical Data Science and Artificial Intelligence
Mathematical Data Science and Artificial Intelligence
When different researchers study the same research question using the same dataset they may obtain different and potentially even conflicting results. This is because there is often substantial flexibility in researchers’ analytical choices, an issue also referred to as ‘‘researcher degrees of freedom’’. Combined with selective reporting of the smallest p-value or largest effect, researcher degrees of freedom may lead to an increased rate of false positive and overoptimistic results. In this paper, we address this issue by formalizing the multiplicity of analysis strategies as a multiple testing problem. As the test statistics of different analysis strategies are usually highly dependent, a naive approach such as the Bonferroni correction is inappropriate because it leads to an unacceptable loss of power. Instead, we propose using the ‘‘minP’’ adjustment method, which takes potential test dependencies into account and approximates the underlying null distribution of the minimal p-value through a permutation-based procedure. This procedure is known to achieve more power than simpler approaches while ensuring a weak control of the family-wise error rate. We illustrate our approach for addressing researcher degrees of freedom by applying it to a study on the impact of perioperative paO2 on post-operative complications after neurosurgery. A total of 48 analysis strategies are considered and adjusted using the minP procedure. This approach allows to selectively report the result of the analysis strategy yielding the most convincing evidence, while controlling the type 1 error – and thus the risk of publishing false positive results that may not be replicable.
Biometry in Molecular Medicine
Biometry in Molecular Medicine
Spatial omics technologies are increasingly leveraged to characterize how disease disrupts tissue organization and cellular niches. While multiple methods to analyze spatial variation within a sample have been published, statistical and computational approaches to compare cell spatial organization across samples or conditions are mostly lacking. We present GraphCompass, a comprehensive set of omics-adapted graph analysis methods to quantitatively evaluate and compare the spatial arrangement of cells in samples representing diverse biological conditions. GraphCompass builds upon the Squidpy spatial omics toolbox and encompasses various statistical approaches to perform cross-condition analyses at the level of individual cell types, niches, and samples. Additionally, GraphCompass provides custom visualization functions that enable effective communication of results. We demonstrate how GraphCompass can be used to address key biological questions, such as how cellular organization and tissue architecture differ across various disease states and which spatial patterns correlate with a given pathological condition. GraphCompass can be applied to various popular omics techniques, including, but not limited to, spatial proteomics (e.g. MIBI-TOF), spot-based transcriptomics (e.g. 10× Genomics Visium), and single-cell resolved transcriptomics (e.g. Stereo-seq). In this work, we showcase the capabilities of GraphCompass through its application to three different studies that may also serve as benchmark datasets for further method development. With its easy-to-use implementation, extensive documentation, and comprehensive tutorials, GraphCompass is accessible to biologists with varying levels of computational expertise. By facilitating comparative analyses of cell spatial organization, GraphCompass promises to be a valuable asset in advancing our understanding of tissue function in health and disease.
One barrier to deeper adoption of user-research methods is the amount of labor required to create high-quality representations of collected data. Trained user researchers need to analyze datasets and produce informative summaries pertaining to the original data. While Large Language Models (LLMs) could assist in generating summaries, they are known to hallucinate and produce biased responses. In this paper, we study human–AI workflows that differently delegate subtasks in user research between human experts and LLMs. Studying persona generation as our case, we found that LLMs are not good at capturing key characteristics of user data on their own. Better results are achieved when we leverage human skill in grouping user data by their key characteristics and exploit LLMs for summarizing pre-grouped data into personas. Personas generated via this collaborative approach can be more representative and empathy-evoking than ones generated by human experts or LLMs alone. We also found that LLMs could mimic generated personas and enable interaction with personas, thereby helping user researchers empathize with them. We conclude that LLMs, by facilitating the analysis of user data, may promote widespread application of qualitative methods in user research.
Labels inform smart home users about the privacy of devices before purchase and during use. Yet, current privacy labels fail to fully reflect the impact of advanced device configuration options like sensor state control. Based on the successful implementation of related privacy and security labels, we designed extended static and interactive labels that reflect sensor states and device connectivity. We first did expert interviews (N=10) that informed the final label design. Second, we ran an online survey (N=160) to assess the interpretation and usability of the novel interactive privacy label. Lastly, we conducted a second survey (N=120) to investigate how well our interactive labels educate users about sensor configuration. We found that most participants successfully used the interactive label and retrieved sensor information more efficiently and correctly. We discuss our findings in the context of a potential shift in label use toward control and use-case-based interaction.
This contribution investigates structural equation modeling (SEM) as a pre-processing approach to mitigate measurement bias in algorithmic decision-making systems. We construct latent predictors and latent targets based on different measurement modeling strategies and evaluate their interplay in simulations and an application study. We systematically compare SEMs which preserve group-differences (group-overarching) to models which equalize group-differences (group-specific) in predictors and outcomes. In our simulations, we find that group-overarching models are a more effective strategy than group-specific models and lead to smaller subgroup prediction error and better calibrated risk scores. In the application study we apply SEM to a health risk prediction task and find support for the benefit of group-overarching models. We conclude that tackling fairness concerns by utilizing measurement models of both the predictors and the outcome can contribute to the fairness of ADM systems. Utilizing SEM during preprocessing allows to incorporate substantive knowledge about the prediction task into the model implementation.
Data imbalance in the protected attributes can lead to machine learning models that perform better on the majority than on the minority group, giving rise to unfairness issues. While baseline methods like undersampling or SMOTE can balance datasets, we investigate how methods of generative artificial intelligence compare concerning classical fairness metrics. Using generated fake data, we propose different balancing methods and investigate the behavior of classification models in thorough benchmark studies using German credit and Berkeley admission data. While our experiments suggest that such methods may improve fairness metrics, further investigations are necessary to derive clear practical recommendations.
Statistical Learning and Data Science
This work examines the representation of protected attributes across tabular datasets used in algorithmic fairness research. Drawing from international human rights and anti-discrimination laws, we compile a set of protected attributes and investigate both their availability and usage in the literature. Our analysis reveals a significant underrepresentation of certain attributes in datasets that is exacerbated by a strong focus on race and sex in dataset usage. We identify a geographical bias towards the Global North, particularly North America, potentially limiting the applicability of fairness detection and mitigation strategies in less-represented regions. The study exposes critical blindspots in fairness research, highlighting the need for a more inclusive and representative approach to data collection and usage in the field. We propose a shift away from a narrow focus on a small number of datasets and advocate for initiatives aimed at sourcing more diverse and representative data.
Upon arrival in Germany, refugees are distributed among the 16 federal states. This distribution decision is based on a fixed formula consisting of two components: tax revenue and the population size of the federal state. Research suggests that optimal refugee-location matching enhances refugee integration into the labor market. However, the current mechanism fails to align refugees’ characteristics with their assigned locations, resulting in a missed opportunity to leverage synergies. To this end, we use comprehensive refugee data in Germany and exploit an existing machine learning matching tool to assign refugees to states algorithmically. Our findings reveal potential improvements in refugee employment, depending on the modeling setup. Our study provides two key contributions. First, we evaluate the effectiveness of an algorithmic matching tool within Germany. Second, we investigate the fairness implications of such an algorithmic decision-making tool by evaluating the impact of different train data setups on group-specific model performance.
Ubiquitous sensing has been widely applied in smart healthcare, providing an opportunity for intelligent heart sound auscultation. However, smart devices contain sensitive information, raising user privacy concerns. To this end, federated learning (FL) has been adopted as an effective solution, enabling decentralised learning without data sharing, thus preserving data privacy in the Internet of Health Things (IoHT). Nevertheless, traditional FL requires the same architectural models to be trained across local clients and global servers, leading to a lack of model heterogeneity and client personalisation. For medical institutions with private data clients, this study proposes Fed-MStacking, a heterogeneous FL framework that incorporates a stacking ensemble learning strategy to support clients in building their own models. The secondary objective of this study is to address scenarios involving local clients with data characterised by inconsistent labelling. Specifically, the local client contains only one case type, and the data cannot be shared within or outside the institution. To train a global multi-class classifier, we aggregate missing class information from all clients at each institution and build meta-data, which then participates in FL training via a meta-learner. We apply the proposed framework to a multi-institutional heart sound database. The experiments utilise random forests (RFs), feedforward neural networks (FNNs), and convolutional neural networks (CNNs) as base classifiers. The results show that the heterogeneous stacking of local models performs better compared to homogeneous stacking.
Exploiting machine learning techniques to automatically classify multispectral remote sensing imagery plays a significant role in deriving changes on the Earth’s surface. However, the computation power required to manage large Earth observation data and apply sophisticated machine learning models for this analysis purpose has become an intractable bottleneck. Leveraging quantum computing provides a possibility to tackle this challenge in the future. This article focuses on land cover classification by analyzing Sentinel-2 images with quantum computing. Two hybrid quantum-classical deep learning frameworks are proposed. Both models exploit quantum computing to extract features efficiently from multispectral images and classical computing for final classification. As proof of concept, numerical simulation results on the LCZ42 dataset through the TensorFlow Quantum platform verify our models’ validity. The experiments indicate that our models can extract features more effectively compared with their classical counterparts, specifically, the convolutional neural network (CNN) model. Our models demonstrated improvements, with an average test accuracy increase of 4.5% and 3.3%, respectively, in comparison to the CNN model. In addition, our proposed models exhibit better transferability and robustness than CNN models.
Monocular height estimation (MHE) is key for generating 3-D city models, essential for swift disaster response. Moving beyond the traditional focus on performance enhancement, our study breaks new ground by probing the interpretability of MHE networks. We have pioneeringly discovered that neurons within MHE models demonstrate selectivity for both height and semantic classes. This insight sheds light on the complex inner workings of MHE models and inspires innovative strategies for leveraging elevation data more effectively. Informed by this insight, we propose a pioneering framework that employs MHE as a self-supervised pretraining method for remote sensing (RS) imagery. This approach significantly enhances the performance of semantic segmentation tasks. Furthermore, we develop a disentangled latent transformer (DLT) module that leverages explainable deep representations from pretrained MHE networks for unsupervised semantic segmentation. Our method demonstrates the significant potential of MHE tasks in developing foundation models for sophisticated pixel-level semantic analyses. Additionally, we present a new dataset designed to benchmark the performance of both semantic segmentation and height estimation tasks.
Change detection (CD) from remote sensing (RS) images using deep learning has been widely investigated in the literature. It is typically regarded as a pixelwise labeling task that aims to classify each pixel as changed or unchanged. Although per-pixel classification networks in encoder-decoder structures have shown dominance, they still suffer from imprecise boundaries and incomplete object delineation at various scenes. For high-resolution RS images, partly or totally changed objects are more worthy of attention rather than a single pixel. Therefore, we revisit the CD task from the mask prediction and classification perspective and propose mask classification-based CD (MaskCD) to detect changed areas by adaptively generating categorized masks from input image pairs. Specifically, it utilizes a cross-level change representation perceiver (CLCRP) to learn multiscale change-aware representations and capture spatiotemporal relations from encoded features by exploiting deformable multihead self-attention (DeformMHSA). Subsequently, a masked cross-attention-based detection transformers (MCA-DETRs) decoder is developed to accurately locate and identify changed objects based on masked cross-attention and self-attention (SA) mechanisms. It reconstructs the desired changed objects by decoding the pixelwise representations into learnable mask proposals and making final predictions from these candidates. Experimental results on five benchmark datasets demonstrate the proposed approach outperforms other state-of-the-art models.
Google and OpenAI have recently announced major product launches involving artificial intelligence (AI) agents based on large language models (LLMs) and other generative models. Notably, these are envisioned to function as personalized ‘advanced assistants’. With other companies following suit, such AI agents seem poised to be the next big thing in consumer technology, with the potential to disrupt work and social environments. To underscore the importance of these developments, Google DeepMind recently published an extensive report on the topic, which they describe as “one of [their] largest ethics foresight projects to date”1. The report defines AI assistants functionally as “artificial agent[s] with a natural language interface, the function of which is to plan and execute sequences of actions on the user’s behalf across one or more domains and in line with the user’s expectations”. The question the Google DeepMind researchers argue we should be pondering is ‘what kind of AI assistants do we want to see in the world?’. But a more fundamental question is whether AI assistants are feasible, given basic ethical and legal requirements. Key issues that will impact the deployment of AI agents concern liability and the ability of users to effectively transfer some of their agential powers to AI assistants.
In this paper we study consensus-based optimization (CBO), which is a multiagent metaheuristic derivative-free optimization method that can globally minimize nonconvex nonsmooth functions and is amenable to theoretical analysis. Based on an experimentally supported intuition that, on average, CBO performs a gradient descent of the squared Euclidean distance to the global minimizer, we devise a novel technique for proving the convergence to the global minimizer in mean-field law for a rich class of objective functions. The result unveils internal mechanisms of CBO that are responsible for the success of the method. In particular, we prove that CBO performs a convexification of a large class of optimization problems as the number of optimizing agents goes to infinity. Furthermore, we improve prior analyses by requiring mild assumptions about the initialization of the method and by covering objectives that are merely locally Lipschitz continuous. As a core component of this analysis, we establish a quantitative nonasymptotic Laplace principle, which may be of independent interest. From the result of CBO convergence in mean-field law, it becomes apparent that the hardness of any global optimization problem is necessarily encoded in the rate of the mean-field approximation, for which we provide a novel probabilistic quantitative estimate. The combination of these results allows us to obtain probabilistic global convergence guarantees of the numerical CBO method.
With the rise and public accessibility of AI-enabled decision-support systems, individuals outsource increasingly more of their decisions, even those that carry ethical dimensions. Considering this trend, scholars have highlighted that uncritical deference to these systems would be problematic and consequently called for investigations of the impact of pertinent technology on humans’ ethical decision-making. To this end, this article conducts a systematic review of existing scholarship and derives an integrated framework that demonstrates how intelligent decision-support systems (IDSSs) shape humans’ ethical decision-making. In particular, we identify resulting consequences on an individual level (i.e., deliberation enhancement, motivation enhancement, autonomy enhancement and action enhancement) and on a societal level (i.e., moral deskilling, restricted moral progress and moral responsibility gaps). We carve out two distinct methods/operation types (i.e., process-oriented and outcome-oriented navigation) that decision-support systems can deploy and postulate that these determine to what extent the previously stated consequences materialize. Overall, this study holds important theoretical and practical implications by establishing clarity in the conceptions, underlying mechanisms and (directions of) influences that can be expected when using particular IDSSs for ethical decisions.
Notions of counterfactual invariance (CI) have proven essential for predictors that are fair, robust, and generalizable in the real world. We propose graphical criteria that yield a sufficient condition for a predictor to be counterfactually invariant in terms of a conditional independence in the observational distribution. In order to learn such predictors, we propose a model-agnostic framework, called Counterfactually Invariant Prediction (CIP), building on the Hilbert-Schmidt Conditional Independence Criterion (HSCIC), a kernel-based conditional dependence measure. Our experimental results demonstrate the effectiveness of CIP in enforcing counterfactual invariance across various simulated and real-world datasets including scalar and multi-variate settings.
Ethics in Systems Design and Machine Learning
In the past few years automated machine learning (AutoML) has gained a lot of traction in the data science and machine learning community. AutoML aims at reducing the partly repetitive work of data scientists and enabling domain experts to construct machine learning pipelines without extensive knowledge in data science. This chapter presents a comprehensive review of the current leading AutoML methods and sets AutoML in an industrial context. To this extent we present the typical components of an AutoML system, give an overview over the stateof-the-art and highlight challenges to industrial application by presenting several important topics such as AutoML for time series data, AutoML in unsupervised settings, AutoML with multiple evaluation criteria, or interactive human-in-the-loop methods. Finally, the connection to Neural Architecture Search (NAS) is presented and a brief review with special emphasis on hardware-aware NAS is given.
Statistical Learning and Data Science
Statistical Learning and Data Science
Consensus-based optimization (CBO) is a versatile multi-particle optimization method for performing nonconvex and nonsmooth global optimizations in high dimensions. Proofs of global convergence in probability have been achieved for a broad class of objective functions in unconstrained optimizations. In this work we adapt the algorithm for solving constrained optimizations on compact and unbounded domains with boundary by leveraging emerging reflective boundary conditions. In particular, we close a relevant gap in the literature by providing a global convergence proof for the many-particle regime comprehensive of convergence rates. On the one hand, for the sake of minimizing running cost, it is desirable to keep the number of particles small. On the other hand, reducing the number of particles implies a diminished capability of exploration of the algorithm. Hence numerical heuristics are needed to ensure convergence of CBO in the few-particle regime. In this work, we also significantly improve the convergence and complexity of CBO by utilizing an adaptive region control mechanism and by choosing geometry-specific random noise. In particular, by combining a hierarchical noise structure with a multigrid finite element method, we are able to compute global minimizers for a constrained p-Allen-Cahn problem with obstacles, a very challenging variational problem.
The field of reinforcement learning offers a large variety of concepts and methods to tackle sequential decision-making problems. This variety has become so large that choosing an algorithm for a task at hand can be challenging. In this work, we streamline the process of choosing reinforcement-learning algorithms and action-distribution families. We provide a structured overview of existing methods and their properties, as well as guidelines for when to choose which methods.
Fabian Bongratz
Artificial Intelligence in Medical Imaging
Computer Vision & Artificial Intelligence
Large Language Models have shown promising results in their ability to encode general medical knowledge in standard medical question-answering datasets. However, their potential application in clinical practice requires evaluation in domain-specific tasks, where benchmarks are largely missing. In this study semioLLM, we test the ability of state-of-the-art LLMs (GPT-3.5, GPT-4, Mixtral 8x7B, and Qwen-72chat) to leverage their internal knowledge and reasoning for epilepsy diagnosis. Specifically, we obtain likelihood estimates linking unstructured text descriptions of seizures to seizure-generating brain regions, using an annotated clinical database containing 1269 entries. We evaluate the LLM’s performance, confidence, reasoning, and citation abilities in comparison to clinical evaluation. Models achieve above-chance classification performance with prompt engineering significantly improving their outcome, with some models achieving close-to-clinical performance and reasoning. However, our analyses also reveal significant pitfalls with several models being overly confident while showing poor performance, as well as exhibiting citation errors and hallucinations. In summary, our work provides the first extensive benchmark comparing current SOTA LLMs in the medical domain of epilepsy and highlights their ability to leverage unstructured texts from patients’ medical history to aid diagnostic processes in health care.
Diffusion Models are popular generative modeling methods in various vision tasks, attracting significant attention. They can be considered a unique instance of self-supervised learning methods due to their independence from label annotation. This survey explores the interplay between diffusion models and representation learning. It provides an overview of diffusion models’ essential aspects, including mathematical foundations, popular denoising network architectures, and guidance methods. Various approaches related to diffusion models and representation learning are detailed. These include frameworks that leverage representations learned from pre-trained diffusion models for subsequent recognition tasks and methods that utilize advancements in representation and self-supervised learning to enhance diffusion models. This survey aims to offer a comprehensive overview of the taxonomy between diffusion models and representation learning, identifying key areas of existing concerns and potential exploration.
Machine learning (ML) has seen significant growth in both popularity and importance. The high prediction accuracy of ML models is often achieved through complex black-box architectures that are difficult to interpret. This interpretability problem has been hindering the use of ML in fields like medicine, ecology and insurance, where an understanding of the inner workings of the model is paramount to ensure user acceptance and fairness. The need for interpretable ML models has boosted research in the field of interpretable machine learning (IML). Here we propose a novel approach for the functional decomposition of black-box predictions, which is considered a core concept of IML. The idea of our method is to replace the prediction function by a surrogate model consisting of simpler subfunctions. Similar to additive regression models, these functions provide insights into the direction and strength of the main feature contributions and their interactions. Our method is based on a novel concept termed stacked orthogonality, which ensures that the main effects capture as much functional behavior as possible and do not contain information explained by higher-order interactions. Unlike earlier functional IML approaches, it is neither affected by extrapolation nor by hidden feature interactions. To compute the subfunctions, we propose an algorithm based on neural additive modeling and an efficient post-hoc orthogonalization procedure.
Statistics, Data Science and Machine Learning
Decoder-only large language models (LLMs) excel in high-resource languages across various tasks through few-shot or even zero-shot in-context learning (ICL). However, their performance often does not transfer well to low-resource languages, especially those written in non-Latin scripts. Inspired by recent work that leverages transliteration in encoder-only models, we investigate whether transliteration is also effective in improving LLMs’ performance for low-resource languages written in non-Latin scripts. To this end, we propose three prompt templates, where the target-language text is represented in (1) its original script, (2) Latin script, or (3) both. We apply these methods to several representative LLMs of different sizes on various tasks including text classification and sequential labeling. Our findings show that the effectiveness of transliteration varies by task type and model size. For instance, all models benefit from transliterations for sequential labeling (with increases of up to 25%).
Background: In the midst of the emerging climate crisis, healthcare providers lack locally validated, disease-specific surveillance models. Stroke, a significant contributor to the global disease burden, has been linked to climate change. Therefore, we developed and benchmarked machine learning (ML) models based on locoregional weather systems to forecast the number of daily acute ischemic stroke (AIS) admissions.
Methods: AIS patients diagnosed between 2015 and 2021 at the tertiary University Medical Center (UMC) Mannheim, Germany were extracted from the local data integration center and geospatially matched to weather data from the German Weather Service (DWD) based on the clinic’s, patients’ home and closest tower’s locations at the time of admission. Statistical-(Poisson), boosted generalized additive model (GAM), support vector machines (SVR), and tree-based models including random forest (RF) and extreme gradient boosting (XGB) were evaluated in regression settings within time-stratified nested cross-validation setup (training-validation: 2015-2020, test set: 2021) to predict the number of daily AIS admissions.
Findings: The cohort included 7,914 AIS patients (4,244 male, 53·6%). XGB showed the best test performance with lowest mean absolute error (MAE) of 1·21 cases/day. Maximum air pressure was identified as the top predictive variable. Shapley additive explanations analyses revealed that temperature extremes of extended cold- (lag-3 minimum temperature <-2 °C; minimum perceived temperature <-1·4 °C) and hot stressors (lag-7 minimum temperature >15 °C), as well as stormy conditions (lag-1 and lag-2 maximum wind gust >14 m/s and speed >10·4 m/s), increased stroke incidences substantially with distinct seasonal associations.
Interpretation: ML models can sufficiently forecast AIS admissions based on weather patterns allowing for improved resource allocation and preparedness.
Statistics, Data Science and Machine Learning
Machine Learning Consulting Unit (MLCU)
Uncertainty quantification of causal effects is crucial for safety-critical applications such as personalized medicine. A powerful approach for this is conformal prediction, which has several practical benefits due to model-agnostic finite-sample guarantees. Yet, existing methods for conformal prediction of causal effects are limited to binary/discrete treatments and make highly restrictive assumptions such as known propensity scores. In this work, we provide a novel conformal prediction method for potential outcomes of continuous treatments. We account for the additional uncertainty introduced through propensity estimation so that our conformal prediction intervals are valid even if the propensity score is unknown. Our contributions are three-fold: (1) We derive finite-sample prediction intervals for potential outcomes of continuous treatments. (2) We provide an algorithm for calculating the derived intervals. (3) We demonstrate the effectiveness of the conformal prediction intervals in experiments on synthetic and real-world datasets. To the best of our knowledge, we are the first to propose conformal prediction for continuous treatments when the propensity score is unknown and must be estimated from data.
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Artificial Intelligence in Management
Knowing which features of a multivariate time series to measure and when is a key task in medicine, wearables, and robotics. Better acquisition policies can reduce costs while maintaining or even improving the performance of downstream predictors. Inspired by the maximization of conditional mutual information, we propose an approach to train acquirers end-to-end using only the downstream loss. We show that our method outperforms random acquisition policy, matches a model with an unrestrained budget, but does not yet overtake a static acquisition strategy. We highlight the assumptions and outline avenues for future work.
Deciphering how nucleotides in genomes encode regulatory instructions and molecular machines is a long-standing goal in biology. DNA language models (LMs) implicitly capture functional elements and their organization from genomic sequences alone by modeling probabilities of each nucleotide given its sequence context. However, using DNA LMs for discovering functional genomic elements has been challenging due to the lack of interpretable methods. Here, we introduce nucleotide dependencies which quantify how nucleotide substitutions at one genomic position affect the probabilities of nucleotides at other positions. We generated genome-wide maps of pairwise nucleotide dependencies within kilobase ranges for animal, fungal, and bacterial species. We show that nucleotide dependencies indicate deleteriousness of human genetic variants more effectively than sequence alignment and DNA LM reconstruction. Regulatory elements appear as dense blocks in dependency maps, enabling the systematic identification of transcription factor binding sites as accurately as models trained on experimental binding data. Nucleotide dependencies also highlight bases in contact within RNA structures, including pseudoknots and tertiary structure contacts, with remarkable accuracy. This led to the discovery of four novel, experimentally validated RNA structures in Escherichia coli. Finally, using dependency maps, we reveal critical limitations of several DNA LM architectures and training sequence selection strategies by benchmarking and visual diagnosis. Altogether, nucleotide dependency analysis opens a new avenue for discovering and studying functional elements and their interactions in genomes.Competing Interest StatementThe authors have declared no competing interest.
This paper investigates the role of CLIP image embeddings within the Stable Video Diffusion (SVD) framework, focusing on their impact on video generation quality and computational efficiency. Our findings indicate that CLIP embeddings, while crucial for aesthetic quality, do not significantly contribute towards the subject and background consistency of video outputs. Moreover, the computationally expensive cross-attention mechanism can be effectively replaced by a simpler linear layer. This layer is computed only once at the first diffusion inference step, and its output is then cached and reused throughout the inference process, thereby enhancing efficiency while maintaining high-quality outputs. Building on these insights, we introduce the VCUT, a training-free approach optimized for efficiency within the SVD architecture. VCUT eliminates temporal cross-attention and replaces spatial cross-attention with a one-time computed linear layer, significantly reducing computational load. The implementation of VCUT leads to a reduction of up to 322T Multiple-Accumulate Operations (MACs) per video and a decrease in model parameters by up to 50M, achieving a 20% reduction in latency compared to the baseline. Our approach demonstrates that conditioning during the Semantic Binding stage is sufficient, eliminating the need for continuous computation across all inference steps and setting a new standard for efficient video generation.
Artificial Intelligence in Medical Imaging
Foundation models (FMs) are increasingly spearheading recent advances on a variety of tasks that fall under the purview of computer audition – the use of machines to understand sounds. They feature several advantages over traditional pipelines: among others, the ability to consolidate multiple tasks in a single model, the option to leverage knowledge from other modalities, and the readily-available interaction with human users. Naturally, these promises have created substantial excitement in the audio community, and have led to a wave of early attempts to build new, general-purpose foundation models for audio. In the present contribution, we give an overview of computational audio analysis as it transitions from traditional pipelines towards auditory foundation models. Our work highlights the key operating principles that underpin those models, and showcases how they can accommodate multiple tasks that the audio community previously tackled separately.
The recent development of large language models (LLMs) has spurred discussions about whether LLM-generated ‘synthetic samples’ could complement or replace traditional surveys, considering their training data potentially reflects attitudes and behaviors prevalent in the population. A number of mostly US-based studies have prompted LLMs to mimic survey respondents, with some of them finding that the responses closely match the survey data. However, several contextual factors related to the relationship between the respective target population and LLM training data might affect the generalizability of such findings. In this study, we investigate the extent to which LLMs can estimate public opinion in Germany, using the example of vote choice. We generate a synthetic sample of personas matching the individual characteristics of the 2017 German Longitudinal Election Study respondents. We ask the LLM GPT-3.5 to predict each respondent’s vote choice and compare these predictions to the survey-based estimates on the aggregate and subgroup levels. We find that GPT-3.5 does not predict citizens’ vote choice accurately, exhibiting a bias towards the Green and Left parties. While the LLM captures the tendencies of ’typical’ voter subgroups, such as partisans, it misses the multifaceted factors swaying individual voter choices. By examining the LLM-based prediction of voting behavior in a new context, our study contributes to the growing body of research about the conditions under which LLMs can be leveraged for studying public opinion. The findings point to disparities in opinion representation in LLMs and underscore the limitations in applying them for public opinion estimation.
Social Data Science and AI
Recent advances in predicting 6D grasp poses from a single depth image have led to promising performance in robotic grasping. However, previous grasping models face challenges in cluttered environments where nearby objects impact the target object’s grasp. In this paper, we first establish a new benchmark dataset for TARget-driven Grasping under Occlusions, named TARGO. We make the following contributions: 1) We are the first to study the occlusion level of grasping. 2) We set up an evaluation benchmark consisting of large-scale synthetic data and part of real-world data, and we evaluated five grasp models and found that even the current SOTA model suffers when the occlusion level increases, leaving grasping under occlusion still a challenge. 3) We also generate a large-scale training dataset via a scalable pipeline, which can be used to boost the performance of grasping under occlusion and generalized to the real world. 4) We further propose a transformer-based grasping model involving a shape completion module, termed TARGO-Net, which performs most robustly as occlusion increases.
Urban land cover classification aims to derive crucial information from earth observation data and categorize it into specific land uses. To achieve accurate classification, sophisticated machine learning models trained with large earth observation data are employed, but the required computation power has become a bottleneck. Quantum computing might tackle this challenge in the future. However, representing images into quantum states for analysis with quantum computing is challenging due to the high demand for quantum resources. To tackle this challenge, we propose a hybrid quantum neural network that can effectively represent and classify remote sensing imagery with reduced quantum resources. Our model was evaluated on the Local Climate Zone (LCZ)-based land cover classification task using the TensorFlow Quantum platform, and the experimental results indicate its validity for accurate urban land cover classification.
Many algorithms for high-dimensional regression problems require the calibration of regularization hyperparameters. This, in turn, often requires the knowledge of the unknown noise variance in order to produce meaningful solutions. Recent works show, however, that there exist certain estimators that are pivotal, i.e., the regularization parameter does not depend on the noise level; the most remarkable example being the square-root lasso. Such estimators have also been shown to exhibit strong connections to distributionally robust optimization. Despite the progress in the design of pivotal estimators, the resulting minimization problem is challenging as both the loss function and the regularization term are non-smooth. To date, the design of fast, robust, and scalable algorithms with strong convergence rate guarantees is still an open problem. This work addresses this problem by showing that an iteratively reweighted least squares (IRLS) algorithm exhibits global linear convergence under the weakest assumption available in the literature. We expect our findings will also have implications for multi-task learning and distributionally robust optimization.
Clinical data informs the personalization of health care with a potential for more effective disease management. In practice, this is achieved by emph{subgrouping}, whereby clusters with similar patient characteristics are identified and then receive customized treatment plans with the goal of targeting subgroup-specific disease dynamics. In this paper, we propose a novel mixture hidden Markov model for subgrouping patient trajectories from emph{chronic diseases}. Our model is probabilistic and carefully designed to capture different trajectory phases of chronic diseases (i.e., “severe”, “moderate”, and “mild”) through tailored latent states. We demonstrate our subgrouping framework based on a longitudinal study across 847 patients with non-specific low back pain. Here, our subgrouping framework identifies 8 subgroups. Further, we show that our subgrouping framework outperforms common baselines in terms of cluster validity indices. Finally, we discuss the applicability of the model to other chronic and long-lasting diseases.
Artificial Intelligence in Management
Dueling Bandits is a well-studied extension of the Multi-Armed Bandits problem, in which the learner must select two arms in each time step and receives a binary feedback as an outcome of the chosen duel. However, all of the existing best arm identification algorithms for the Dueling Bandits setting assume that the feedback can be observed immediately after selecting the two arms. If this is not the case, the algorithms simply do nothing and wait until the feedback of the recent duel can be observed, which is a waste of runtime. We propose an algorithm that can already start a new duel even if the previous one is not finished and thus is much more time efficient. Our arm selection strategy balances the expected information gain of the chosen duel and the expected delay until we observe the feedback. By theoretically grounded confidence bounds we can ensure that the arms we discard are not the best arms with high probability.
In this paper, we address the adversarial training of neural ODEs from a robust control perspective. This is an alternative to the classical training via empirical risk minimization, and it is widely used to enforce reliable outcomes for input perturbations. Neural ODEs allow the interpretation of deep neural networks as discretizations of control systems, unlocking powerful tools from control theory for the development and the understanding of machine learning. In this specific case, we formulate the adversarial training with perturbed data as a minimax optimal control problem, for which we derive first order optimality conditions in the form of Pontryagin’s Maximum Principle. We provide a novel interpretation of robust training leading to an alternative weighted technique, which we test on a low-dimensional classification task.