Now showing 1 - 10 of 69
  • Publication
    A Fast Heuristic for Computing Geodesic Closures in Large Networks
    ( 2022-11-06)
    Seiffarth, Florian
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    Motivated by the increasing interest in applications of graph geodesic convexity in machine learning and data mining, we present a heuristic for approximating the geodesic convex hull of node sets in large networks. It generates a small set of (almost) maximal outerplanar spanning subgraphs for the input graph, computes the geodesic closure in each of these graphs, and regards a node as an element of the convex hull if it belongs to the closed sets for at least a user specified number of outerplanar graphs. Our heuristic algorithm runs in time linear in the number of edges of the input graph, i.e., it is faster with one order of magnitude than the standard algorithm computing the closure exactly. Its performance is evaluated empirically by approximating convexity based core-periphery decomposition of networks. Our experimental results with large real-world networks show that for most networks, the proposed heuristic was able to produce close approximations significantly faster than the standard algorithm computing the exact convex hulls. For example, while our algorithm calculated an approximate core-periphery decomposition in 5 h or less for networks with more than 20 million edges, the standard algorithm did not terminate within 50 days.
  • Publication
    Wasserstein Dropout
    ( 2022-09-08)
    Sicking, Joachim
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    Pintz, Maximilian Alexander
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    Fischer, Asja
    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.
  • Publication
    Data Ecosystems: A New Dimension of Value Creation Using AI and Machine Learning
    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.
  • Publication
    A generalized Weisfeiler-Lehman graph kernel
    ( 2022-04-27)
    Schulz, Till Hendrik
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    Welke, Pascal
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    After more than one decade, Weisfeiler-Lehman 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 one-sided error. The Weisfeiler-Lehman 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 Weisfeiler-Lehman graph kernels which takes into account a more natural and finer grade of similarity between Weisfeiler-Lehman labels than equality. We show that the proposed similarity can be calculated efficiently by means of the Wasserstein distance between certain vectors representing Weisfeiler-Lehman labels. This and other facts give rise to the natural choice of partitioning the vertices with the Wasserstein k-means algorithm. We empirically demonstrate on the Weisfeiler-Lehman subtree kernel, which is one of the most prominent Weisfeiler-Lehman graph kernels, that our generalization significantly outperforms this and other state-of-the-art graph kernels in terms of predictive performance on datasets which contain structurally more complex graphs beyond the typically considered molecular graphs.
  • Publication
    Visual Analytics for Human-Centered Machine Learning
    ( 2022-01-25)
    Andrienko, Natalia
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    Andrienko, Gennady
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    Adilova, Linara
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    We introduce a new research area in visual analytics (VA) aiming to bridge existing gaps between methods of interactive machine learning (ML) and eXplainable Artificial Intelligence (XAI), on one side, and human minds, on the other side. The gaps are, first, a conceptual mismatch between ML/XAI outputs and human mental models and ways of reasoning, and second, a mismatch between the information quantity and level of detail and human capabilities to perceive and understand. A grand challenge is to adapt ML and XAI to human goals, concepts, values, and ways of thinking. Complementing the current efforts in XAI towards solving this challenge, VA can contribute by exploiting the potential of visualization as an effective way of communicating information to humans and a strong trigger of human abstractive perception and thinking. We propose a cross-disciplinary research framework and formulate research directions for VA.
  • Publication
    Decision Snippet Features
    ( 2021-05-05)
    Welke, Pascal
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    Alkhoury, Fouad
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    Decision 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 low-memory 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.
  • Publication
    A theoretical model for pattern discovery in visual analytics
    (Elsevier B.V., 2021-01-21)
    Andrienko, Natalia
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    Andrienko, Gennady
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    Miksch, Silvia
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    Schumann, Heidrun
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    The word 'pattern' frequently appears in the visualisation and visual analytics literature, but what do we mean when we talk about patterns? We propose a practicable definition of the concept of a pattern in a data distribution as a combination of multiple interrelated elements of two or more data components that can be represented and treated as a unified whole. Our theoretical model describes how patterns are made by relationships existing between data elements. Knowing the types of these relationships, it is possible to predict what kinds of patterns may exist. We demonstrate how our model underpins and refines the established fundamental principles of visualisation. The model also suggests a range of interactive analytical operations that can support visual analytics workflows where patterns, once discovered, are explicitly involved in further data analysis.
  • Publication
    Maximum Margin Separations in Finite Closure Systems
    ( 2021)
    Seiffahrt, Florian
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    Monotone 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 half-space 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 half-spaces, 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.
  • Publication
    Constructing Spaces and Times for Tactical Analysis in Football
    ( 2021)
    Andrienko, Gennady
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    Andrienko, Natalia
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    Anzer, Gabriel
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    Bauer, Pascal
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    Budziak, Guido
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    Weber, Hendrik
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    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 time-homomorphic 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.
  • Publication
    HOPS: Probabilistic Subtree Mining for Small and Large Graphs
    ( 2020)
    Welke, Pascal
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    Seiffahrt, Florian
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    Frequent subgraph mining, i.e., the identification of relevant patterns in graph databases, is a well-known data mining problem with high practical relevance, since next to summarizing the data, the resulting patterns can also be used to define powerful domain-specific similarity functions for prediction. In recent years, significant progress has been made towards subgraph mining algorithms that scale to complex graphs by focusing on tree patterns and probabilistically allowing a small amount of incompleteness in the result. Nonetheless, the complexity of the pattern matching component used for deciding subtree isomorphism on arbitrary graphs has significantly limited the scalability of existing approaches. In this paper, we adapt sampling techniques from mathematical combinatorics to the problem of probabilistic subtree mining in arbitrary databases of many small to medium-size graphs or a single large graph. By restricting on tree patterns, we provide an algorithm tha t approximately counts or decides subtree isomorphism for arbitrary transaction graphs in sub-linear time with one-sided error. Our empirical evaluation on a range of benchmark graph datasets shows that the novel algorithm substantially outperforms state-of-the-art approaches both in the task of approximate counting of embeddings in single large graphs and in probabilistic frequent subtree mining in large databases of small to medium sized graphs.