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Towards Dynamic Message Passing on Graphs

NeurIPS 2024 · Graph learning › GNN architectures · approach: Graph rewiring and scalable message passing · 3 citations (OpenAlex)

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Proposes N2, a GNN with dynamic message passing where graph nodes and learnable pseudo nodes move in a shared state space and their measured proximities define evolving pathways, achieving linear complexity via a single recurrent layer.

Problem

Message passing in GNNs over-relies on input topology, causing over-smoothing and over-squashing, while existing global alternatives either use uniform pseudo-node pathways (bottlenecks) or dense pairwise relations (quadratic cost).

Approach

Embed graph nodes and learnable pseudo nodes in a common state space where proximity (piecewise weighted inner products) defines edge weights; nodes move via displacements produced by a shared recurrent layer, so pathways are dynamic and global message passing through pseudo nodes costs linear time.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use proximity measurement instead of attention (ablation)N² · three graph-classification benchmarks (datasets unnamed in excerpt)performanceHelped
Remove pseudo-node adaptation (ablation)N² · three benchmarks (names not specified in excerpt)accuracyHurt
Remove local message passing (ablation)N² · node classification benchmarksaccuracyHurt
Remove global message passing (ablation)N² · graph-classification benchmarksaccuracyHurt
Add specially distinguished messages rather than pass node states directly (ablation)N² · questionsscore: 76.01 -> 78.07Helped
Add specially distinguished messages rather than pass node states directly (ablation)N² · amazon-ratingsscore: 47.79 -> 50.25Helped
Add specially distinguished messages rather than pass node states directly (ablation)N² · AmazonPhotoscore: 93.80 -> 95.75Helped
Use pseudo-node message passing instead of dense message passing (ablation)N² · IMDB-Baccuracy: 77.94 -> 79.95Helped
Use pseudo-node message passing instead of dense message passing (ablation)N² · IMDB-Maccuracy: 56.41 -> 57.31Helped
Use pseudo-node message passing instead of dense message passing (ablation)N² · PROTEINSaccuracy: 76.94 -> 77.53Helped
Increase the number of pseudo nodes (ablation)N² · PROTEINSaccuracyMixed
Use multiple recurrent layers instead of one shared layer when recursive steps exceed 8 (ablation)N² · amazon-ratings and AmazonPhotoperformanceHelped

Surprising findings

Limitations

Experimental setup

Datasets: OGB-molpcba PROTEINS NCI1 COLLAB IMDB-BINARY IMDB-MULTI CoauthorCS CoauthorPhysics AmazonPhoto AmazonComputers questions amazon-ratings

Benchmarks: OGB-molpcba PROTEINS NCI1 COLLAB IMDB-BINARY IMDB-MULTI CoauthorCS CoauthorPhysics AmazonPhoto AmazonComputers questions amazon-ratings

Metrics: accuracy average precision ROC-AUC mean absolute error training accuracy Dirichlet energy

Baselines: GCN GIN GraphSAGE DiffPool TopKPool SAGPool StructPool SEP GMT Graphormer SAN GraphGPS

Builds on: DyN Graphormer GraphGPS GNNs with a single pseudo node

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