Pair-Centric Graph Rewiring for Over-Squashing via Optimal Transport-Guided Communication Alignment
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Computer Science > Machine Learning
Title:Pair-Centric Graph Rewiring for Over-Squashing via Optimal Transport-Guided Communication Alignment
Abstract:Message-passing neural networks (MPNNs) often struggle when task-relevant information is distributed across distant regions of a graph, since local propagation must compress remote signals through limited structural interfaces. Graph rewiring provides a structural response to over-squashing. Most existing methods rely on edge-level bottleneck scores or graph-level connectivity surrogates. With a limited rewiring budget, the key question is which pairwise communications most need structural support. This paper proposes PairAlign, a pair-centric graph rewiring framework that makes this question explicit through demand-support shortage. Specifically, PairAlign combines original-graph structural demand with current-graph finite-hop propagation support; their ratio highlights interactions whose communication demand is poorly supported by topology, and our theory shows that this score provides a computable proxy for the corresponding Jacobian-based shortage with a pair-level interpretation of over-squashing. Our theory reveals a two-sided effect of edge insertion: a new edge can create useful walks and simultaneously dilute existing normalized transition mass. Guided by this observation, PairAlign optimizes shortage to favor edge additions that alleviate over-squashing. Beyond selecting useful additions, PairAlign further introduces an Optimal Transport-guided rewiring mechanism to coordinate the finite edge budget for pair-level structural compatibility and shortage-target coverage. It formulates communication alignment between the candidate edge budget and the shortage targets, and the theory shows that this allocation covers shortage targets more broadly and effectively than a greedy-local assignment. Experiments on standard graph benchmarks show PairAlign's improvement across message-passing backbones, validating pair-level repair as an effective route for alleviating over-squashing.
| Subjects: | Machine Learning (cs.LG) |
| Cite as: | arXiv:2608.10619 [cs.LG] |
| (or arXiv:2608.10619v1 [cs.LG] for this version) | |
| https://doi.org/10.48550/arXiv.2608.10619
arXiv-issued DOI via DataCite (pending registration)
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