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Locality-Aware Graph Rewiring in GNNs

ICLR 2024 · Graph learning › GNN architectures · approach: Structural GNN variants · 0 citations (OpenAlex)

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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

Measured effects reported in the paper

What was changedWhereMeasuredEffect
apply LASER rewiring instead of the strongest reported baselineGCN · Peptides-funcAverage Precision (AP): 0.6012$\pm$0.0031 -> 0.6440$\pm$0.0010Helped
apply LASER rewiring instead of the strongest reported baselineGCN · Peptides-structMean Absolute Error (MAE): 0.3078$\pm$0.0026 -> 0.3043$\pm$0.0019Helped
apply LASER rewiring instead of the strongest reported baselineGCN · PCQM-ContactMean Reciprocal Rank (MRR): 0.3007$\pm$0.0022 -> 0.3275$\pm$0.0011Helped
apply LASER rewiring instead of the strongest reported baselineGCN · REDDIT-BINARYaccuracy: 85.930$\pm$2.793 -> 85.458$\pm$2.827No clear effect
apply LASER rewiring instead of the strongest reported baselineGCN · IMDB-BINARYaccuracy: 64.280$\pm$1.990 -> 64.333$\pm$3.298No clear effect
apply LASER rewiring instead of the strongest reported baselineGCN · MUTAGaccuracy: 81.684$\pm$7.964 -> 82.204$\pm$6.728No clear effect
apply LASER rewiring instead of the strongest reported baselineGCN · ENZYMESaccuracy: 30.567$\pm$6.188 -> 34.333$\pm$6.936Helped
apply LASER rewiring instead of the strongest reported baselineGCN · PROTEINSaccuracy: 72.714$\pm$2.946 -> 74.381$\pm$3.443Helped
apply LASER rewiring instead of the strongest reported baselineGCN · COLLABaccuracy: 70.222$\pm$2.571 -> 70.923$\pm$2.538No clear effect
sample edges randomly instead of prioritizing the lowest connectivity scores (ablation)LASER, L=3, ρ=0.1 on Peptides · Peptides-funcAverage Precision (AP): 0.6414$\pm$0.0020 -> 0.4796$\pm$0.0067Hurt
sample edges randomly instead of prioritizing the lowest connectivity scores (ablation)LASER, L=3, ρ=0.1 on Peptides · Peptides-structMean Absolute Error (MAE): 0.3119$\pm$0.0005 -> 0.3382$\pm$0.0019Hurt
use node ID to break ties rather than sample uniformly among tied nodes (ablation)LASER on Peptides · Peptides-funcAverage Precision (AP): 0.6447$\pm$0.0033 -> 0.6385$\pm$0.0048Hurt

Surprising findings

Limitations

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

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