Organizations: Berlin Institute for the Foundations of Learning and Data – BIFOLD, 10623 Berlin, Germany · Machine Learning Group, Technical University of Berlin, Berlin, Germany · Department of Chemistry, Chemical Physics Theory Group, University of Toronto, Toronto, Canada · Vector Institute for Artificial Intelligence, Toronto, Canada · Acceleration Consortium, University of Toronto, Toronto, Canada · Charité – Universitätsmedizin Berlin, Berlin, Germany · Department of Artificial Intelligence, Korea University, Seoul, Korea · Max Planck Institute for Informatics, Saarbrücken, Germany · RIKEN AIP, Tokyo, Japan
Abstract
To understand how a neural network (NN) functions and makes predictions, it has become increasingly clear that analyzing only the input domain is insufficient -- one must also examine its internal inference mechanisms to capture the complete picture. To explain the internal inference mechanisms of such models, it is essential to analyze the importance of latent representations for a given task. In this paper, we propose the \emph{normalized relevance measure} (NRM) framework -- a novel general explanation procedure that attributes relevance to \emph{arbitrary sets of neurons across layers of arbitrary architectures}. In the NRM framework, relevance of selected neurons is explicitly defined as a normalized signed measure, constructed using simple operations -- marginalization and conditioning based on additive and multiplicative laws -- in analogy to the probability measures. The normalization property further guarantees comparability across layers. The NRM framework subsumes existing propagation-based explanation algorithms by explicitly identifying the underlying quantity being computed. We demonstrate the utility of the framework in computer vision applications, where joint relevance analysis across multiple layers reveals key information flows in VGG16 networks. Overall, the NRM framework provides a general, mathematically grounded approach to understanding how modern NNs propagate information, offering a versatile and broadly applicable foundation for explainable artificial intelligence.
Deep neural networks often exploit spurious associations, a failure known as shortcut learning. Before deployment, models should be audited for reliance on a set of concepts, such as acquisition artifacts or demographics. Current methods, such as linear probes and concept activation vectors, measure reliance by asking whether each concept, in isolation, is decodable from a layer. Their scores therefore reflect not only reliance but also correlations in the audit dataset. We introduce Independent Canonical cONcept (ICON) decomposition, which quantifies the share of a layer's variance each concept explains, conditional on all other concepts and the outcome. ICON scores are variance shares, comparable across layers and between continuous and categorical concepts. ICON also reports the share the set leaves unexplained. On simulated data, ICON recovers the true importance more accurately than seven baselines. On skin-cancer and neuroimaging models, ICON distinguishes learned shortcuts from correlated concepts, confirmed by retraining and out-of-distribution tests.
Roshan Prakash Rane, Marco Simnacher, Manuel Pfeuffer +7
Graph Neural Networks (GNNs) have become important machine learning tools for graph analysis, and its explainability is crucial for safety, fairness, and robustness. Layer-wise relevance propagation for GNNs (GNN-LRP) evaluates the relevance of \emph{walks} to reveal important information flows in the network, and provides higher-order explanations, which have been shown to be superior to the lower-order, i.e., node-/edge-level, explanations. However, identifying relevant walks by GNN-LRP requires {\em exponential} computational complexity with respect to the network depth, which we will remedy in this paper. Specifically, we propose {\em polynomial-time} algorithms for finding top-K relevant walks, which drastically reduces the computation and thus increases the applicability of GNN-LRP to large-scale problems. Our proposed algorithms are based on the \emph{max-product} algorithm -- a common tool for finding the maximum likelihood configurations in probabilistic graphical models -- and can find the most relevant walks exactly at the neuron level and approximately at the node level. Our experiments demonstrate the performance of our algorithms at scale and their utility across application domains, i.e., on epidemiology, molecular, and natural language benchmarks. We provide our codes under \href{https://github.com/xiong-ping/rel_walk_gnnlrp}{github.com/xiong-ping/rel\_walk\_gnnlrp}.
Explaining the predictions of neural networks is a central challenge in trustworthy AI. Existing explanation methods, such as those based on feature attribution or minimal sufficient sets, typically treat input features as independent, which can yield misleading explanations when inputs exhibit structured dependencies. We address this by formalizing explanations as Halpern-Pearl (HP) actual causes, modeling input dependencies using Boolean Structural Causal Models (SCMs). We compute HP causes by applying bound propagation and branch-and-bound techniques, while providing formal guarantees of completeness and minimality. Our experiments show that we substantially outperform brute-force and ILP baselines in scalability, and outperform heuristic search as graph size grows, computing all minimal actual causes on instances with search spaces of up to 2.3×1013 candidate (cause, contingency) pairs, on SCMs with up to 28 nodes, within a 180s per-instance budget. In a case study, we further show that ignoring input dependencies inflates the number of reported causes, 14.9% of which are spurious under our SCM.