Tamás Horváth

Sebastian Müller, Vanessa Toborek, Eike Stadtländer et al.

Explainable AI (XAI) offers a growing number of algorithms that aim to answer specific questions about black-box models. What is missing is a principled way to consolidate explanatory information about a fixed black-box model into a persistent, auditable artefact, that accompanies the black-box throughout its life cycle. We address this gap by introducing the notion of a scientific theory of a black (SToBB). Grounded in Constructive Empiricism, a SToBB fulfils three obligations: (i) empirical adequacy with respect to all available observations of black-box behaviour, (ii) adaptability via explicit update commitments that restore adequacy when new observations arrive, and (iii) auditability through transparent documentation of assumptions, construction choices, and update behaviour. We operationalise these obligations as a general framework that specifies an extensible observation base, a traceable hypothesis class, algorithmic components for construction and revision, and documentation sufficient for third-party assessment. Explanations for concrete stakeholder needs are then obtained by querying the maintained record through interfaces, rather than by producing isolated method outputs. As a proof of concept, we instantiate a complete SToBB for a neural-network classifier on a tabular task and introduce the Constructive Box Theoriser (CoBoT) algorithm, an online procedure that constructs and maintains an empirically adequate rule-based surrogate as observations accumulate. Together, these contributions position SToBBs as a life cycle-scale, inspectable point of reference that supports consistent, reusable analyses and systematic external scrutiny.

Harish G. Naik, Jan Polster, Raj Shekhar et al.

We formulate an XAI-based model improvement approach for Graph Neural Networks (GNNs) for node classification, called Explanation Enhanced Graph Learning (EEGL). The goal is to improve predictive performance of GNN using explanations. EEGL is an iterative self-improving algorithm, which starts with a learned "vanilla" GNN, and repeatedly uses frequent subgraph mining to find relevant patterns in explanation subgraphs. These patterns are then filtered further to obtain application-dependent features corresponding to the presence of certain subgraphs in the node neighborhoods. Giving an application-dependent algorithm for such a subgraph-based extension of the Weisfeiler-Leman (1-WL) algorithm has previously been posed as an open problem. We present experimental evidence, with synthetic and real-world data, which show that EEGL outperforms related approaches in predictive performance and that it has a node-distinguishing power beyond that of vanilla GNNs. We also analyze EEGL's training dynamics.

Vanessa Toborek, Sebastian Müller, Tim Selbach et al.

Curriculum learning (CL) aims to improve training by presenting data from "easy" to "hard", yet defining and measuring linguistic difficulty remains an open challenge. We investigate whether human-curated simple language can serve as an effective signal for CL. Using the article-level labels from the Simple Wikipedia corpus, we compare label-based curricula to competence-based strategies relying on shallow heuristics. Our experiments with a BERT-tiny model show that adding simple data alone yields no clear benefit. However, structuring it via a curriculum -- especially when introduced first -- consistently improves perplexity, particularly on simple language. In contrast, competence-based curricula lead to no consistent gains over random ordering, probably because they fail to effectively separate the two classes. Our results suggest that human intuition about linguistic difficulty can guide CL for language model pre-training.

Sebastian Müller, Vanessa Toborek, Tamás Horváth et al.

We propose a novel eXplainable AI algorithm to compute faithful, easy-to-understand, and complete global decision rules from local explanations for tabular data by combining XAI methods with closed frequent itemset mining. Our method can be used with any local explainer that indicates which dimensions are important for a given sample for a given black-box decision. This property allows our algorithm to choose among different local explainers, addressing the disagreement problem, \ie the observation that no single explanation method consistently outperforms others across models and datasets. Unlike usual experimental methodology, our evaluation also accounts for the Rashomon effect in model explainability. To this end, we demonstrate the robustness of our approach in finding suitable rules for nearly all of the 700 black-box models we considered across 14 benchmark datasets. The results also show that our method exhibits improved runtime, high precision and F1-score while generating compact and complete rules.

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.