Stefan Wrobel

Maximilian Poretschkin, Anna Schmitz, Maram Akila et al.

Artificial Intelligence (AI) has made impressive progress in recent years and represents a key technology that has a crucial impact on the economy and society. However, it is clear that AI and business models based on it can only reach their full potential if AI applications are developed according to high quality standards and are effectively protected against new AI risks. For instance, AI bears the risk of unfair treatment of individuals when processing personal data e.g., to support credit lending or staff recruitment decisions. The emergence of these new risks is closely linked to the fact that the behavior of AI applications, particularly those based on Machine Learning (ML), is essentially learned from large volumes of data and is not predetermined by fixed programmed rules. Thus, the issue of the trustworthiness of AI applications is crucial and is the subject of numerous major publications by stakeholders in politics, business and society. In addition, there is mutual agreement that the requirements for trustworthy AI, which are often described in an abstract way, must now be made clear and tangible. One challenge to overcome here relates to the fact that the specific quality criteria for an AI application depend heavily on the application context and possible measures to fulfill them in turn depend heavily on the AI technology used. Lastly, practical assessment procedures are needed to evaluate whether specific AI applications have been developed according to adequate quality standards. This AI assessment catalog addresses exactly this point and is intended for two target groups: Firstly, it provides developers with a guideline for systematically making their AI applications trustworthy. Secondly, it guides assessors and auditors on how to examine AI applications for trustworthiness in a structured way.

Dorina Weichert, Alexander Kister, Sebastian Houben et al.

Fatigue strength estimation is a costly manual material characterization process in which state-of-the-art approaches follow a standardized experiment and analysis procedure. In this paper, we examine a modular, Machine Learning-based approach for fatigue strength estimation that is likely to reduce the number of experiments and, thus, the overall experimental costs. Despite its high potential, deployment of a new approach in a real-life lab requires more than the theoretical definition and simulation. Therefore, we study the robustness of the approach against misspecification of the prior and discretization of the specified loads. We identify its applicability and its advantageous behavior over the state-of-the-art methods, potentially reducing the number of costly experiments.

Nathalie Paul, Tim Wirtz, Stefan Wrobel et al.

We interpret solving the multi-vehicle routing problem as a team Markov game with partially observable costs. For a given set of customers to serve, the playing agents (vehicles) have the common goal to determine the team-optimal agent routes with minimal total cost. Each agent thereby observes only its own cost. Our multi-agent reinforcement learning approach, the so-called multi-agent Neural Rewriter, builds on the single-agent Neural Rewriter to solve the problem by iteratively rewriting solutions. Parallel agent action execution and partial observability require new rewriting rules for the game. We propose the introduction of a so-called pool in the system which serves as a collection point for unvisited nodes. It enables agents to act simultaneously and exchange nodes in a conflict-free manner. We realize limited disclosure of agent-specific costs by only sharing them during learning. During inference, each agents acts decentrally, solely based on its own cost. First empirical results on small problem sizes demonstrate that we reach a performance close to the employed OR-Tools benchmark which operates in the perfect cost information setting.

Joachim Sicking, Maram Akila, Jan David Schneider et al.

Uncertainty estimation bears the potential to make deep learning (DL) systems more reliable. Standard techniques for uncertainty estimation, however, come along with specific combinations of strengths and weaknesses, e.g., with respect to estimation quality, generalization abilities and computational complexity. To actually harness the potential of uncertainty quantification, estimators are required whose properties closely match the requirements of a given use case. In this work, we propose a framework that, firstly, structures and shapes these requirements, secondly, guides the selection of a suitable uncertainty estimation method and, thirdly, provides strategies to validate this choice and to uncover structural weaknesses. By contributing tailored uncertainty estimation in this sense, our framework helps to foster trustworthy DL systems. Moreover, it anticipates prospective machine learning regulations that require, e.g., in the EU, evidences for the technical appropriateness of machine learning systems. Our framework provides such evidences for system components modeling uncertainty.

Rebekka Görge, Sujan Sai Gannamaneni, Tabea Naeven et al.

Textual data used to train large language models (LLMs) exhibits multifaceted bias manifestations encompassing harmful language and skewed demographic distributions. Regulations such as the European AI Act require identifying and mitigating biases against protected groups in data, with the ultimate goal of preventing unfair model outputs. However, practical guidance and operationalization are lacking. We propose a comprehensive data bias detection and mitigation pipeline comprising four components that address two data bias types, namely representation bias and (explicit) stereotypes for a configurable sensitive attribute. First, we leverage LLM-generated word lists created based on quality criteria to detect relevant group labels. Second, representation bias is quantified using the Demographic Representation Score. Third, we detect and mitigate stereotypes using sociolinguistically informed filtering. Finally, we compensate representation bias through Grammar- and Context-Aware Counterfactual Data Augmentation. We conduct a two-fold evaluation using the examples of gender, religion and age. First, the effectiveness of each individual component on data debiasing is evaluated through human validation and baseline comparison. The findings demonstrate that we successfully reduce representation bias and (explicit) stereotypes in a text dataset. Second, the effect of data debiasing on model bias reduction is evaluated by bias benchmarking of several models (0.6B-8B parameters), fine-tuned on the debiased text dataset. This evaluation reveals that LLMs fine-tuned on debiased data do not consistently show improved performance on bias benchmarks, exposing critical gaps in current evaluation methodologies and highlighting the need for targeted data manipulation to address manifested model bias.

Sujan Sai Gannamaneni, Rohil Prakash Rao, Michael Mock et al.

Slice discovery methods (SDMs) are prominent algorithms for finding systematic weaknesses in DNNs. They identify top-k semantically coherent slices/subsets of data where a DNN-under-test has low performance. For being directly useful, slices should be aligned with human-understandable and relevant dimensions, which, for example, are defined by safety and domain experts as part of the operational design domain (ODD). While SDMs can be applied effectively on structured data, their application on image data is complicated by the lack of semantic metadata. To address these issues, we present an algorithm that combines foundation models for zero-shot image classification to generate semantic metadata with methods for combinatorial search to find systematic weaknesses in images. In contrast to existing approaches, ours identifies weak slices that are in line with pre-defined human-understandable dimensions. As the algorithm includes foundation models, its intermediate and final results may not always be exact. Therefore, we include an approach to address the impact of noisy metadata. We validate our algorithm on both synthetic and real-world datasets, demonstrating its ability to recover human-understandable systematic weaknesses. Furthermore, using our approach, we identify systematic weaknesses of multiple pre-trained and publicly available state-of-the-art computer vision DNNs.

Pascal Linden, Nathalie Paul, Tim Wirtz et al.

In retail warehouses, returned products are typically placed in an intermediate storage until a decision regarding further shipment to stores is made. The longer products are held in storage, the higher the inefficiency and costs of the returns management process, since enough storage area has to be provided and maintained while the products are not placed for sale. To reduce the average product storage time, we consider an alternative solution where reallocation decisions for products can be made instantly upon their arrival in the warehouse allowing only a limited number of products to still be stored simultaneously. We transfer the problem to an online multiple knapsack problem and propose a novel reinforcement learning approach to pack the items (products) into the knapsacks (stores) such that the overall value (expected revenue) is maximized. Empirical evaluations on simulated data demonstrate that, compared to the usual offline decision procedure, our approach comes with a performance gap of only 3% while significantly reducing the average storage time of a product by 96%.

Till Hendrik Schulz, Pascal Welke, Stefan Wrobel

The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering graph filtrations: Using meaningful orders on the set of edges, which allow to construct a sequence of nested graphs, we can consider a graph at multiple granularities. For one thing, this provides access to features on different levels of resolution. Furthermore, rather than to simply compare frequencies of features in graphs, it allows for their comparison in terms of when and for how long they exist in the sequences. In this work, we propose a family of graph kernels that incorporate these existence intervals of features. While our approach can be applied to arbitrary graph features, we particularly highlight Weisfeiler-Lehman vertex labels, leading to efficient kernels. We show that using Weisfeiler-Lehman labels over certain filtrations strictly increases the expressive power over the ordinary Weisfeiler-Lehman procedure in terms of deciding graph isomorphism. In fact, this result directly yields more powerful graph kernels based on such features and has implications to graph neural networks due to their close relationship to the Weisfeiler-Lehman method. We empirically validate the expressive power of our graph kernels and show significant improvements over state-of-the-art graph kernels in terms of predictive performance on various real-world benchmark datasets.

Eike Stadtländer, Tamás Horváth, Stefan Wrobel

One of the central problems studied in the theory of machine learning is the question of whether, for a given class of hypotheses, it is possible to efficiently find a {consistent} hypothesis, i.e., which has zero training error. While problems involving {\em convex} hypotheses have been extensively studied, the question of whether efficient learning is possible for non-convex hypotheses composed of possibly several disconnected regions is still less understood. Although it has been shown quite a while ago that efficient learning of weakly convex hypotheses, a parameterized relaxation of convex hypotheses, is possible for the special case of Boolean functions, the question of whether this idea can be developed into a generic paradigm has not been studied yet. In this paper, we provide a positive answer and show that the consistent hypothesis finding problem can indeed be solved in polynomial time for a broad class of weakly convex hypotheses over metric spaces. To this end, we propose a general domain-independent algorithm for finding consistent weakly convex hypotheses and prove sufficient conditions for its efficiency that characterize the corresponding hypothesis classes. To illustrate our general algorithm and its properties, we discuss several non-trivial learning examples to demonstrate how it can be used to efficiently solve the corresponding consistent hypothesis finding problem. Without the weak convexity constraint, these problems are known to be computationally intractable. We then proceed to show that the general idea of our algorithm can even be extended to the case of extensional weakly convex hypotheses, as it naturally arise, e.g., when performing vertex classification in graphs. We prove that using our extended algorithm, the problem can be solved in polynomial time provided the distances in the domain can be computed efficiently.

Till Hendrik Schulz, Tamás Horváth, Pascal Welke et al.

The Weisfeiler-Lehman graph kernels are among the most prevalent graph kernels due to their remarkable time complexity and predictive performance. Their key concept is based on an implicit comparison of neighborhood representing trees with respect to equality (i.e., isomorphism). This binary valued comparison is, however, arguably too rigid for defining suitable similarity measures over graphs. To overcome this limitation, we propose a generalization of Weisfeiler-Lehman graph kernels which takes into account the similarity between trees rather than equality. We achieve this using a specifically fitted variation of the well-known tree edit distance which can efficiently be calculated. We empirically show that our approach significantly outperforms state-of-the-art methods in terms of predictive performance on datasets containing structurally more complex graphs beyond the typically considered molecular graphs.

Joachim Sicking, Maram Akila, Maximilian Pintz et al.

Quantification of uncertainty is one of the most promising approaches to establish safe machine learning. Despite its importance, it is far from being generally solved, especially for neural networks. One of the most commonly used approaches so far is Monte Carlo dropout, which is computationally cheap and easy to apply in practice. However, it can underestimate the uncertainty. We propose a new objective, referred to as second-moment loss (SML), to address this issue. While the full network is encouraged to model the mean, the dropout networks are explicitly used to optimize the model variance. We intensively study the performance of the new objective on various UCI regression datasets. Comparing to the state-of-the-art of deep ensembles, SML leads to comparable prediction accuracies and uncertainty estimates while only requiring a single model. Under distribution shift, we observe moderate improvements. As a side result, we introduce an intuitive Wasserstein distance-based uncertainty measure that is non-saturating and thus allows to resolve quality differences between any two uncertainty estimates.

Joachim Sicking, Maram Akila, Maximilian Pintz et al.

Despite of its importance for safe machine learning, uncertainty quantification for neural networks is far from being solved. State-of-the-art approaches to estimate neural uncertainties are often hybrid, combining parametric models with explicit or implicit (dropout-based) ensembling. We take another pathway and propose a novel approach to uncertainty quantification for regression tasks, Wasserstein dropout, that is purely non-parametric. Technically, it captures aleatoric uncertainty by means of dropout-based sub-network distributions. This is accomplished by a new objective which minimizes the Wasserstein distance between the label distribution and the model distribution. An extensive empirical analysis shows that Wasserstein dropout outperforms state-of-the-art methods, on vanilla test data as well as under distributional shift, in terms of producing more accurate and stable uncertainty estimates.

Tiansi Dong, Chengjiang Li, Christian Bauckhage et al.

Traditional neural networks represent everything as a vector, and are able to approximate a subset of logical reasoning to a certain degree. As basic logic relations are better represented by topological relations between regions, we propose a novel neural network that represents everything as a ball and is able to learn topological configuration as an Euler diagram. So comes the name Euler Neural-Network (ENN). The central vector of a ball is a vector that can inherit representation power of traditional neural network. ENN distinguishes four spatial statuses between balls, namely, being disconnected, being partially overlapped, being part of, being inverse part of. Within each status, ideal values are defined for efficient reasoning. A novel back-propagation algorithm with six Rectified Spatial Units (ReSU) can optimize an Euler diagram representing logical premises, from which logical conclusion can be deduced. In contrast to traditional neural network, ENN can precisely represent all 24 different structures of Syllogism. Two large datasets are created: one extracted from WordNet-3.0 covers all types of Syllogism reasoning, the other extracted all family relations from DBpedia. Experiment results approve the superior power of ENN in logical representation and reasoning. Datasets and source code are available upon request.

Florian Seiffarth, Tamas Horvath, Stefan Wrobel

Several concept learning problems can be regarded as special cases of half-space separation in abstract closure systems over finite ground sets. For the typical scenario that the closure system is implicitly given via a closure operator, we show that the half-space separation problem is NP-complete. As a first approach to overcome this negative result, we relax the problem to maximal closed set separation, give a generic greedy algorithm solving this problem with a linear number of closure operator calls, and show that this bound is sharp. For a second direction, we consider Kakutani closure systems and prove that they are algorithmically characterized by the greedy algorithm. As a first special case of the general problem setting, we consider Kakutani closure systems over graphs and give a sufficient condition for this kind of closure systems in terms of forbidden graph minors. For a second special case, we then focus on closure systems over finite lattices, give an improved adaptation of the generic greedy algorithm, and present an application concerning subsumption lattices.

Michael Kamp, Linara Adilova, Joachim Sicking et al.

We propose an efficient protocol for decentralized training of deep neural networks from distributed data sources. The proposed protocol allows to handle different phases of model training equally well and to quickly adapt to concept drifts. This leads to a reduction of communication by an order of magnitude compared to periodically communicating state-of-the-art approaches. Moreover, we derive a communication bound that scales well with the hardness of the serialized learning problem. The reduction in communication comes at almost no cost, as the predictive performance remains virtually unchanged. Indeed, the proposed protocol retains loss bounds of periodically averaging schemes. An extensive empirical evaluation validates major improvement of the trade-off between model performance and communication which could be beneficial for numerous decentralized learning applications, such as autonomous driving, or voice recognition and image classification on mobile phones.

Christian Bauckhage, Eduardo Brito, Kostadin Cvejoski et al.

Quantum computing for machine learning attracts increasing attention and recent technological developments suggest that especially adiabatic quantum computing may soon be of practical interest. In this paper, we therefore consider this paradigm and discuss how to adopt it to the problem of binary clustering. Numerical simulations demonstrate the feasibility of our approach and illustrate how systems of qubits adiabatically evolve towards a solution.

Rajkumar Ramamurthy, Christian Bauckhage, Krisztian Buza et al.

Echo state networks are simple recurrent neural networks that are easy to implement and train. Despite their simplicity, they show a form of memory and can predict or regenerate sequences of data. We make use of this property to realize a novel neural cryptography scheme. The key idea is to assume that Alice and Bob share a copy of an echo state network. If Alice trains her copy to memorize a message, she can communicate the trained part of the network to Bob who plugs it into his copy to regenerate the message. Considering a byte-level representation of in- and output, the technique applies to arbitrary types of data (texts, images, audio files, etc.) and practical experiments reveal it to satisfy the fundamental cryptographic properties of diffusion and confusion.