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Wrobel, Stefan
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PublicationThe why and how of trustworthy AI( 20220903)Artificial intelligence is increasingly penetrating industrial applications as well as areas that affect our daily lives. As a consequence, there is a need for criteria to validate whether the quality of AI applications is sufficient for their intended use. Both in the academic community and societal debate, an agreement has emerged under the term “trustworthiness” as the set of essential quality requirements that should be placed on an AI application. At the same time, the question of how these quality requirements can be operationalized is to a large extent still open. In this paper, we consider trustworthy AI from two perspectives: the product and organizational perspective. For the former, we present an AIspecific risk analysis and outline how verifiable arguments for the trustworthiness of an AI application can be developed. For the second perspective, we explore how an AI management system can be employed to assure the trustworthiness of an organization with respect to its handling of AI. Finally, we argue that in order to achieve AI trustworthiness, coordinated measures from both product and organizational perspectives are required.

PublicationData Ecosystems: A New Dimension of Value Creation Using AI and Machine Learning( 20220722)Machine learning and artificial intelligence have become crucial factors for the competitiveness of individual companies and entire economies. Yet their successful deployment requires access to a large volume of training data often not even available to the largest corporations. The rise of trustworthy federated digital ecosystems will significantly improve data availability for all participants and thus will allow a quantum leap for the widespread adoption of artificial intelligence at all scales of companies and in all sectors of the economy. In this chapter, we will explain how AI systems are built with data science and machine learning principles and describe how this leads to AI platforms. We will detail the principles of distributed learning which represents a perfect match with the principles of distributed data ecosystems and discuss how trust, as a central value proposition of modern ecosystems, carries over to creating trustworthy AI systems.

PublicationA generalized WeisfeilerLehman graph kernel( 20220427)
;Schulz, Till Hendrik ;Welke, PascalAfter more than one decade, WeisfeilerLehman graph kernels are still among the most prevalent graph kernels due to their remarkable predictive performance and time complexity. They are based on a fast iterative partitioning of vertices, originally designed for deciding graph isomorphism with onesided error. The WeisfeilerLehman graph kernels retain this idea and compare such labels with respect to equality. This binary valued comparison is, however, arguably too rigid for defining suitable graph kernels for certain graph classes. To overcome this limitation, we propose a generalization of WeisfeilerLehman graph kernels which takes into account a more natural and finer grade of similarity between WeisfeilerLehman labels than equality. We show that the proposed similarity can be calculated efficiently by means of the Wasserstein distance between certain vectors representing WeisfeilerLehman labels. This and other facts give rise to the natural choice of partitioning the vertices with the Wasserstein kmeans algorithm. We empirically demonstrate on the WeisfeilerLehman subtree kernel, which is one of the most prominent WeisfeilerLehman graph kernels, that our generalization significantly outperforms this and other stateoftheart graph kernels in terms of predictive performance on datasets which contain structurally more complex graphs beyond the typically considered molecular graphs. 
PublicationLeitfaden zur Gestaltung vertrauenswürdiger Künstlicher Intelligenz (KIPrüfkatalog)(Fraunhofer IAIS, 2021)
;Cremers, Armin B. ;Houben, Sebastian ;Schulz, Elena ;Voss, Angelika 
PublicationDecision Snippet Features( 2021)
;Welke, Pascal ;Alkhoury, FouadDecision trees excel at interpretability of their prediction results. To achieve required prediction accuracies, however, often large ensembles of decision trees random forests are considered, reducing interpretability due to large size. Additionally, their size slows down inference on modern hardware and restricts their applicability in lowmemory embedded devices. We introduce Decision Snippet Features, which are obtained from small subtrees that appear frequently in trained random forests. We subsequently show that linear models on top of these features achieve comparable and sometimes even better predictive performance than the original random forest, while reducing the model size by up to two orders of magnitude. 
PublicationLearning Weakly Convex Sets in Metric Spaces( 2021)
;Stadtländer, EikeWe introduce the notion of weak convexity in metric spaces, a generalization of ordinary convexity commonly used in machine learning. It is shown that weakly convex sets can be characterized by a closure operator and have a unique decomposition into a set of pairwise disjoint connected blocks. We give two generic efficient algorithms, an extensional and an intensional one for learning weakly convex concepts and study their formal properties. Our experimental results concerning vertex classification clearly demonstrate the excellent predictive performance of the extensional algorithm. Two nontrivial applications of the intensional algorithm to polynomial PAClearnability are presented. The first one deals with learning kconvex Boolean functions, which are already known to be efficiently PAClearnable. It is shown how to derive this positive result in a fairly easy way by the generic intensional algorithm. The second one is concerned with the Euclidean space equipped with the Manhattan distance. For this metric space, weakly convex sets form a union of pairwise disjoint axisaligned hyperrectangles. We show that a weakly convex set that is consistent with a set of examples and contains a minimum number of hyperrectangles can be found in polynomial time. In contrast, this problem is known to be NPcomplete if the hyperrectangles may be overlapping. 
PublicationMaximum Margin Separations in Finite Closure Systems( 2021)
;Seiffahrt, Florian ;Horvárth, TamásMonotone linkage functions provide a measure for proximities between elements and subsets of a ground set. Combining this notion with Vapniks idea of support vector machines, we extend the concepts of maximal closed set and halfspace separation in finite closure systems to those with maximum margin. In particular, we define the notion of margin for finite closure systems by means of monotone linkage functions and give a greedy algorithm computing a maximum margin closed set separation for two sets efficiently. The output closed sets are maximum margin halfspaces, i.e., form a partitioning of the ground set if the closure system is Kakutani. We have empirically evaluated our approach on different synthetic datasets. In addition to binary classification of finite subsets of the Euclidean space, we considered also the problem of vertex classification in graphs. Our experimental results provide clear evidence that maximal closed set separation with maximum margin results in a much better predictive performance than that with arbitrary maximal closed sets. 
PublicationA Novel Regression Loss for NonParametric Uncertainty Optimization( 2021)
;Pintz, Maximilian ;Fischer, AsjaQuantification 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 secondmoment 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 stateoftheart 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 distancebased uncertainty measure that is nonsaturating and thus allows to resolve quality differences between any two uncertainty estimates. 
PublicationConstructing Spaces and Times for Tactical Analysis in Football( 2021)
;Andrienko, Gennady ;Andrienko, Natalia ;Anzer, Gabriel ;Bauer, P. ;Budziak, G. ;Fuchs, G. ;Hecker, D. ;Weber, H.A possible objective in analyzing trajectories of multiple simultaneously moving objects, such as football players during a game, is to extract and understand the general patterns of coordinated movement in different classes of situations as they develop. For achieving this objective, we propose an approach that includes a combination of query techniques for flexible selection of episodes of situation development, a method for dynamic aggregation of data from selected groups of episodes, and a data structure for representing the aggregates that enables their exploration and use in further analysis. The aggregation, which is meant to abstract general movement patterns, involves construction of new timehomomorphic reference systems owing to iterative application of aggregation operators to a sequence of data selections. As similar patterns may occur at different spatial locations, we also propose constructing new spatial reference systems for aligning and matching movements irrespective of their absolute locations. The approach was tested in application to tracking data from two Bundesliga games of the 2018/2019 season. It enabled detection of interesting and meaningful general patterns of team behaviors in three classes of situations defined by football experts. The experts found the approach and the underlying concepts worth implementing in tools for football analysts. 
PublicationVisual Analytics for Data Scientists(Springer Nature, 2020)
;Andrienko, Natalia ;Andrienko, Gennady ;Slingsby, Aidan ;Turkay, Cagatay