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Demystifying Topological Message-Passing with Relational Structures: A Case Study on Oversquashing in Simplicial Message-Passing
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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
- Relational rewiring with the best algorithm improves test accuracy for most base graphs; e.g., GCN on MUTAG rises from 71.0 to 83.0 and RGCN on IMDB-B with FoSR from 47.6 to 68.0.
- Results show relational and topological models respond to rewiring similarly to graph models, with some decreases (e.g., SIN on MUTAG drops from 88.5 to 85.5).
- RingTransfer experiments are reported to be consistent with the theory: larger rings degrade performance, while rewiring and moderate hidden dimensions help.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Apply relational rewiring to RGIN | RGIN on ENZYMES with clique lifting · ENZYMES (Clique) | test accuracy: 50.8 -> 55.8 | Helped |
| Apply relational FoSR rewiring | GIN on IMDB-B with ring lifting · IMDB-B (Ring) | test accuracy: 70.1 -> 73.1 | Helped |
| Apply relational rewiring | CIN on MUTAG with ring lifting · MUTAG (Ring) | test accuracy: 93.5 -> 95.0 | Helped |
| Apply relational rewiring | RGIN on NCI1 with ring lifting · NCI1 (Ring) | test accuracy: 78.4 -> 79.8 | Helped |
| Apply relational rewiring | GCN on PROTEINS without lifting · PROTEINS (None) | test accuracy: 73.1 -> 75.8 | Helped |
| Increase hidden dimensions | Graph and simplicial message-passing models · RingTransfer | task performance | Mixed |
| Increase ring size | Graph and simplicial message-passing models · RingTransfer | task performance | Hurt |
| Increase the number of rewiring iterations | Graph and simplicial message-passing models · RingTransfer | task performance | Helped |
| Apply rewiring | Models across TUDataset settings · TUDataset | test accuracy | Mixed |
Surprising findings
- Rewiring with fixed, dataset- and model-agnostic hyperparameters sometimes decreases accuracy (e.g., GIN on IMDB-B drops from 71.7 to 67.1 with FoSR).
Limitations
- Rewiring algorithms were not designed for weighted directed influence graphs, so they may be suboptimal.
- Curvature comparisons between graphs and clique complexes are proxies and not theoretically rigorous.
- Results on oversquashing are based on bounds with assumptions (bounded Jacobians, row-normalized shift operators) and balanced Forman curvature extension is left for future work.
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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