Caterpillar GNN: Replacing Message Passing with Efficient Aggregation

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.