Research Group Gitta Kutyniok

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.

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.

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.

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.

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.

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.

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.

Optimization problems are a staple of today’s scientific and technical landscape. However, at present, solvers of such problems are almost exclusively run on digital hardware. Using Turing machines as a mathematical model for any type of digital hardware, in this paper, we analyze fundamental limitations of this conceptual approach of solving optimization problems. Since in most applications, the optimizer itself is of significantly more interest than the optimal value of the corresponding function, we will focus on computability of the optimizer. In fact, we will show that in various situations the optimizer is unattainable on Turing machines and consequently on digital computers. Moreover, even worse, there does not exist a Turing machine, which approximates the optimizer itself up to a certain constant error. We prove such results for a variety of well-known problems from very different areas, including artificial intelligence, financial mathematics, and information theory, often deriving the even stronger result that such problems are not Banach-Mazur computable, also not even in an approximate sense.

We study the generalization capabilities of Message Passing Neural Networks (MPNNs), a prevalent class of Graph Neural Networks (GNN). We derive generalization bounds specifically for MPNNs with normalized sum aggregation and mean aggregation. Our analysis is based on a data generation model incorporating a finite set of template graphons. Each graph within this framework is generated by sampling from one of the graphons with a certain degree of perturbation. In particular, we extend previous MPNN generalization results to a more realistic setting, which includes the following modifications: 1) we analyze simple random graphs with Bernoulli-distributed edges instead of weighted graphs; 2) we sample both graphs and graph signals from perturbed graphons instead of clean graphons; and 3) we analyze sparse graphs instead of dense graphs. In this more realistic and challenging scenario, we provide a generalization bound that decreases as the average number of nodes in the graphs increases. Our results imply that MPNNs with higher complexity than the size of the training set can still generalize effectively, as long as the graphs are sufficiently large.

This paper provides rigorous error bounds for physics-informed neural networks approximating the semilinear wave equation. We provide bounds for the generalization and training error in terms of the width of the network’s layers and the number of training points for a tanh neural network with two hidden layers. Our main result is a bound of the total error in the H1([0,T];L2(Ω))-norm in terms of the training error and the number of training points, which can be made arbitrarily small under some assumptions. We illustrate our theoretical bounds with numerical experiments.

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.

In this paper, we investigate the computational complexity of solutions to the Laplace and the diffusion equation. We show that for a certain class of initial-boundary value problems of the Laplace and the diffusion equation, the solution operator is #P1/#P-complete in the sense that it maps polynomial-time computable functions to the set of #P1/#P-complete functions. Consequently, there exists polynomial-time (Turing) computable input data such that the solution is not polynomial-time computable, unless FP=#P or FP1=#P1. In this case, we can, in general, not simulate the solution of the Laplace or the diffusion equation on a digital computer without having a complexity blowup, i.e., the computation time for obtaining an approximation of the solution with up to a finite number of significant digits grows non-polynomially in the number of digits. This indicates that the computational complexity of the solution operator that models a physical phenomena is intrinsically high, independent of the numerical algorithm that is used to approximate a solution.

In this survey, we aim to explore the fundamental question of whether the next generation of artificial intelligence requires quantum computing. Artificial intelligence is increasingly playing a crucial role in many aspects of our daily lives and is central to the fourth industrial revolution. It is therefore imperative that artificial intelligence is reliable and trustworthy. However, there are still many issues with reliability of artificial intelligence, such as privacy, responsibility, safety, and security, in areas such as autonomous driving, healthcare, robotics, and others. These problems can have various causes, including insufficient data, biases, and robustness problems, as well as fundamental issues such as computability problems on digital hardware. The cause of these computability problems is rooted in the fact that digital hardware is based on the computing model of the Turing machine, which is inherently discrete. Notably, our findings demonstrate that digital hardware is inherently constrained in solving problems about optimization, deep learning, or differential equations. Therefore, these limitations carry substantial implications for the field of artificial intelligence, in particular for machine learning. Furthermore, although it is well known that the quantum computer shows a quantum advantage for certain classes of problems, our findings establish that some of these limitations persist when employing quantum computing models based on the quantum circuit or the quantum Turing machine paradigm. In contrast, analog computing models, such as the Blum-Shub-Smale machine, exhibit the potential to surmount these limitations.

A powerful framework for studying graphs is to consider them as geometric graphs: nodes are randomly sampled from an underlying metric space, and any pair of nodes is connected if their distance is less than a specified neighborhood radius. Currently, the literature mostly focuses on uniform sampling and constant neighborhood radius. However, real-world graphs are likely to be better represented by a model in which the sampling density and the neighborhood radius can both vary over the latent space. For instance, in a social network communities can be modeled as densely sampled areas, and hubs as nodes with larger neighborhood radius. In this work, we first perform a rigorous mathematical analysis of this (more general) class of models, including derivations of the resulting graph shift operators. The key insight is that graph shift operators should be corrected in order to avoid potential distortions introduced by the non-uniform sampling. Then, we develop methods to estimate the unknown sampling density in a self-supervised fashion. Finally, we present exemplary applications in which the learnt density is used to 1) correct the graph shift operator and improve performance on a variety of tasks, 2) improve pooling, and 3) extract knowledge from networks. Our experimental findings support our theory and provide strong evidence for our model.

The pseudoinverse of a matrix, a generalized notion of the inverse, is of fundamental importance in linear algebra. However, there does not exist a closed form representation of the pseudoinverse, which can be straightforwardly computed. Therefore, an algorithmic computation is necessary. An algorithmic computation can only be evaluated by also considering the underlying hardware, typically digital hardware, which is responsible for performing the actual computations step by step. In this paper, we analyze if and to what degree the pseudoinverse actually can be computed on digital hardware platforms modeled as Turing machines. For this, we utilize the notion of an effective algorithm which describes a provably correct computation: upon an input of any error parameter, the algorithm provides an approximation within the given error bound with respect to the unknown solution. We prove that an effective algorithm for computing the pseudoinverse of any matrix can not exist on a Turing machine, although provably correct algorithms do exist for specific classes of matrices. Even more, our results introduce a lower bound on the accuracy that can be obtained algorithmically when computing the pseudoinverse on Turing machines.