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SpeqNets: Sparsity-aware Permutation-equivariant Graph Networks

Machine Learning 2022-08-31 v3 Artificial Intelligence Data Structures and Algorithms Neural and Evolutionary Computing Machine Learning

Abstract

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large graphs. They either operate on kk-order tensors or consider all kk-node subgraphs, implying an exponential dependence on kk in memory requirements, and do not adapt to the sparsity of the graph. By introducing new heuristics for the graph isomorphism problem, we devise a class of universal, permutation-equivariant graph networks, which, unlike previous architectures, offer a fine-grained control between expressivity and scalability and adapt to the sparsity of the graph. These architectures lead to vastly reduced computation times compared to standard higher-order graph networks in the supervised node- and graph-level classification and regression regime while significantly improving over standard graph neural network and graph kernel architectures in terms of predictive performance.

Keywords

Cite

@article{arxiv.2203.13913,
  title  = {SpeqNets: Sparsity-aware Permutation-equivariant Graph Networks},
  author = {Christopher Morris and Gaurav Rattan and Sandra Kiefer and Siamak Ravanbakhsh},
  journal= {arXiv preprint arXiv:2203.13913},
  year   = {2022}
}

Comments

ICML 2022, fixed typo in Observation 1

R2 v1 2026-06-24T10:26:31.058Z