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Caterpillar GNN: Replacing Message Passing with Efficient Aggregation

Machine Learning 2025-09-29 v2

Abstract

Message-passing graph neural networks (MPGNNs) dominate modern graph learning. Typical efforts enhance MPGNN's expressive power by enriching the adjacency-based aggregation. In contrast, we introduce an efficient aggregation over walk incidence-based matrices that are constructed to deliberately trade off some expressivity for stronger and more structured inductive bias. Our approach allows for seamless scaling between classical message-passing and simpler methods based on walks. We rigorously characterize the expressive power at each intermediate step using homomorphism counts over a hierarchy of generalized caterpillar graphs. Based on this foundation, we propose Caterpillar GNNs, whose robust graph-level aggregation successfully tackles a benchmark specifically designed to challenge MPGNNs. Moreover, we demonstrate that, on real-world datasets, Caterpillar GNNs achieve comparable predictive performance while significantly reducing the number of nodes in the hidden layers of the computational graph.

Keywords

Cite

@article{arxiv.2506.06784,
  title  = {Caterpillar GNN: Replacing Message Passing with Efficient Aggregation},
  author = {Marek Černý},
  journal= {arXiv preprint arXiv:2506.06784},
  year   = {2025}
}

Comments

35 pages, 13 figures, 3 tables, preprint in review

R2 v1 2026-07-01T03:04:56.219Z