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Weisfeiler and Leman go Machine Learning: The Story so far

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arxiv 2112.09992 v4 pith:T5U2E35Y submitted 2021-12-18 cs.LG cs.DScs.NEstat.ML

classification cs.LGcs.DScs.NEstat.ML
keywords algorithmlearningarchitecturesdiscussgivegraphmachineneural
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In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data. Here, we give a comprehensive overview of the algorithm's use in a machine-learning setting, focusing on the supervised regime. We discuss the theoretical background, show how to use it for supervised graph and node representation learning, discuss recent extensions, and outline the algorithm's connection to (permutation-)equivariant neural architectures. Moreover, we give an overview of current applications and future directions to stimulate further research.

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Cited by 1 Pith paper

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  1. Learning Causality for Modern Machine Learning

    cs.LG 2025-06 conditional novelty 2.0 of 10

    A thesis compiling six papers that use causal invariance to improve graph neural networks' out-of-distribution generalization, interpretability, and robustness.

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