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Locality-Aware Graph Rewiring in GNNs
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Proposes LASER, a locality-aware sequential graph rewiring framework that adds sparse, distance-constrained edges across multiple snapshots, prioritized by a walk-count connectivity measure, to mitigate over-squashing in GNNs.
Problem
Graph rewiring to mitigate over-squashing in MPNNs typically either densifies the graph (spatial methods, breaking sparsity) or adds long-range edges that destroy locality (spectral methods); no method satisfies connectivity, locality, and sparsity simultaneously.
Approach
Instead of one rewired graph, build a sequence of snapshots where the ℓ-th snapshot adds edges only between nodes at shortest-path distance ℓ+1, selecting a fraction ρ of them with the lowest k-step walk-count connectivity score, and aggregate each snapshot as a separate relation (multi-relational GNN view).
Key results
- On Peptides-func, LASER reaches 0.6440 test AP versus 0.5930 for no rewiring and 0.6012 for BORF, the best baseline.
- On TUDatasets, LASER attains the best mean rank of 1.37 across six datasets, with first place on IMDB-BINARY, MUTAG, ENZYMES, PROTEINS and COLLAB.
- LASER rewires a 100k-node, million-edge graph in about 2 hours, whereas FOSR and SDRF did not finish within 24 hours.
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| apply LASER rewiring instead of the strongest reported baseline | GCN · Peptides-func | Average Precision (AP): 0.6012$\pm$0.0031 -> 0.6440$\pm$0.0010 | Helped |
| apply LASER rewiring instead of the strongest reported baseline | GCN · Peptides-struct | Mean Absolute Error (MAE): 0.3078$\pm$0.0026 -> 0.3043$\pm$0.0019 | Helped |
| apply LASER rewiring instead of the strongest reported baseline | GCN · PCQM-Contact | Mean Reciprocal Rank (MRR): 0.3007$\pm$0.0022 -> 0.3275$\pm$0.0011 | Helped |
| apply LASER rewiring instead of the strongest reported baseline | GCN · REDDIT-BINARY | accuracy: 85.930$\pm$2.793 -> 85.458$\pm$2.827 | No clear effect |
| apply LASER rewiring instead of the strongest reported baseline | GCN · IMDB-BINARY | accuracy: 64.280$\pm$1.990 -> 64.333$\pm$3.298 | No clear effect |
| apply LASER rewiring instead of the strongest reported baseline | GCN · MUTAG | accuracy: 81.684$\pm$7.964 -> 82.204$\pm$6.728 | No clear effect |
| apply LASER rewiring instead of the strongest reported baseline | GCN · ENZYMES | accuracy: 30.567$\pm$6.188 -> 34.333$\pm$6.936 | Helped |
| apply LASER rewiring instead of the strongest reported baseline | GCN · PROTEINS | accuracy: 72.714$\pm$2.946 -> 74.381$\pm$3.443 | Helped |
| apply LASER rewiring instead of the strongest reported baseline | GCN · COLLAB | accuracy: 70.222$\pm$2.571 -> 70.923$\pm$2.538 | No clear effect |
| sample edges randomly instead of prioritizing the lowest connectivity scores (ablation) | LASER, L=3, ρ=0.1 on Peptides · Peptides-func | Average Precision (AP): 0.6414$\pm$0.0020 -> 0.4796$\pm$0.0067 | Hurt |
| sample edges randomly instead of prioritizing the lowest connectivity scores (ablation) | LASER, L=3, ρ=0.1 on Peptides · Peptides-struct | Mean Absolute Error (MAE): 0.3119$\pm$0.0005 -> 0.3382$\pm$0.0019 | Hurt |
| use node ID to break ties rather than sample uniformly among tied nodes (ablation) | LASER on Peptides · Peptides-func | Average Precision (AP): 0.6447$\pm$0.0033 -> 0.6385$\pm$0.0048 | Hurt |
Surprising findings
- Spectral rewirings such as FOSR can hurt performance when relational models are not used, with GCN-FOSR-R reaching only 0.4629 AP on Peptides-func versus 0.5930 for plain GCN.
- The authors note that the TUDatasets baselines are of questionable quality, with high variance and a plain GCN and R-GCN without rewiring reporting inconsistent accuracies on MUTAG.
Limitations
- Only one instance of the general paradigm (LASER-GCN) with simple connectivity and locality measures is explored.
- The TUDatasets used are small, featureless in several cases, and show high variance, so conclusions there are tentative.
- Improvements are hard to attribute with certainty to over-squashing rather than other effects, as the authors acknowledge.
Experimental setup
Datasets: Peptides-func Peptides-struct PCQM-Contact REDDIT-BINARY IMDB-BINARY MUTAG ENZYMES PROTEINS COLLAB
Benchmarks: Peptides-func Peptides-struct PCQM-Contact REDDIT-BINARY IMDB-BINARY MUTAG ENZYMES PROTEINS COLLAB
Metrics: Average Precision Mean Absolute Error Mean Reciprocal Rank accuracy mean rank effective resistance Frobenius norm of distance matrix difference
Baselines: None SDRF GTR FOSR BORF DiffWire
Builds on: R-GCN FOSR GTR SDRF BORF
Closest papers by meaning
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