Locality-Aware Graph-Rewiring in GNNs
About
Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | PROTEINS | Accuracy71.07 | 1252 | |
| Graph Classification | MUTAG | Accuracy68 | 1103 | |
| Graph Classification | COLLAB | Accuracy71.32 | 469 | |
| Graph Classification | IMDB-M | Accuracy45.4 | 425 | |
| Graph Classification | IMDB-B | Accuracy67.3 | 425 | |
| Graph Regression | Peptides-struct | MAE0.3043 | 134 | |
| Graph Classification | Peptides func | AP64.4 | 110 | |
| Graph Classification | RDT-B | Accuracy81.7 | 83 | |
| Node Classification | Texas (48/32/20) | Mean Accuracy32.63 | 78 | |
| Node Classification | Chameleon (48/32/20) | Mean Accuracy41.9 | 49 |