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20242026
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cs.LG2026

GNN Explanations that do not Explain and How to find Them

Steve Azzolin, Stefano Teso, Bruno Lepri +2

Explanations provided by Self-explainable Graph Neural Networks (SE-GNNs) are fundamental for understanding the model's inner workings and for identifying potential misuse of sensi…

cs.LG2026

Is BatchEnsemble a Single Model? On Calibration and Diversity of Efficient Ensembles

Anton Zamyatin, Patrick Indri, Sagar Malhotra +1

In resource-constrained and low-latency settings, uncertainty estimates must be efficiently obtained. Deep Ensembles provide robust epistemic uncertainty (EU) but require training…

cs.LG2025

Probably Approximately Global Robustness Certification

Peter Blohm, Patrick Indri, Thomas Gärtner +1

We propose and investigate probabilistic guarantees for the adversarial robustness of classification algorithms. While traditional formal verification approaches for robustness are…

cs.LG2025

Prime Implicant Explanations for Reaction Feasibility Prediction

Klaus Weinbauer, Tieu-Long Phan, Peter F. Stadler +2

Machine learning models that predict the feasibility of chemical reactions have become central to automated synthesis planning. Despite their predictive success, these models often…

cs.LG2025

Beyond Topological Self-Explainable GNNs: A Formal Explainability Perspective

Steve Azzolin, Sagar Malhotra, Andrea Passerini +1

Self-Explainable Graph Neural Networks (SE-GNNs) are popular explainable-by-design GNNs, but their explanations' properties and limitations are not well understood. Our first contr…

cs.LG2024

Logical Distillation of Graph Neural Networks

Alexander Pluska, Pascal Welke, Thomas Gärtner +1

We present a logic based interpretable model for learning on graphs and an algorithm to distill this model from a Graph Neural Network (GNN). Recent results have shown connections…