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Demystifying Topological Message-Passing with Relational Structures: A Case Study on Oversquashing in Simplicial Message-Passing

ICLR 2025 · Graph learning › GNN architectures · approach: Expressive equivariant message passing · 0 citations (OpenAlex)

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Recasts simplicial/cellular complexes and their message passing as relational structures, derives oversquashing bounds (sensitivity, curvature, depth, width) via influence graphs, and proposes a relational rewiring heuristic evaluated on TUDatasets and RingTransfer.

Problem

Oversquashing in topological (simplicial/cellular) message passing is understudied and lacks theoretical analysis, and graph oversquashing results do not directly apply to higher-order structures.

Approach

Model simplicial complexes as relational structures with shift operators, so that simplicial message passing becomes an instance of relational message passing; analyze sensitivity via an aggregated influence matrix and influence graph, extending graph oversquashing results (curvature, depth, width) to this setting, and adapt graph rewiring (SDRF, FoSR, AFRC) by adding a new relation built from a c

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Apply relational rewiring to RGINRGIN on ENZYMES with clique lifting · ENZYMES (Clique)test accuracy: 50.8 -> 55.8Helped
Apply relational FoSR rewiringGIN on IMDB-B with ring lifting · IMDB-B (Ring)test accuracy: 70.1 -> 73.1Helped
Apply relational rewiringCIN on MUTAG with ring lifting · MUTAG (Ring)test accuracy: 93.5 -> 95.0Helped
Apply relational rewiringRGIN on NCI1 with ring lifting · NCI1 (Ring)test accuracy: 78.4 -> 79.8Helped
Apply relational rewiringGCN on PROTEINS without lifting · PROTEINS (None)test accuracy: 73.1 -> 75.8Helped
Increase hidden dimensionsGraph and simplicial message-passing models · RingTransfertask performanceMixed
Increase ring sizeGraph and simplicial message-passing models · RingTransfertask performanceHurt
Increase the number of rewiring iterationsGraph and simplicial message-passing models · RingTransfertask performanceHelped
Apply rewiringModels across TUDataset settings · TUDatasettest accuracyMixed

Surprising findings

Limitations

Experimental setup

Datasets: ENZYMES IMDB-B MUTAG NCI1 PROTEINS RingTransfer

Benchmarks: ENZYMES IMDB-B MUTAG NCI1 PROTEINS RingTransfer

Metrics: test accuracy

Baselines: SGC GCN GIN RGCN RGIN SIN CIN CIN++

Builds on: First-Order Spectral Rewiring (FoSR) relational graph convolutional network (R-GCN) simplicial Weisfeiler-Lehman / simplicial neural networks CW networks

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