Research map / Graph learning / GNN architectures
Towards Dynamic Message Passing on Graphs
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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
- On OGB-molpcba, N2 reaches 33.90% average precision with 516K parameters, versus Graphormer's 31.39% with 119.5M parameters.
- On small-scale graph classification, N2 achieves the best accuracy on all five benchmarks, e.g., 83.52% on NCI1 and 86.72% on COLLAB.
- On node classification, N2 reaches 58.69% on arXiv-year and 79.55% ROC-AUC on OGB-proteins, while OGB-arXiv (70.01%) trails SGFormer (72.63%).
Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Use proximity measurement instead of attention (ablation) | N² · three graph-classification benchmarks (datasets unnamed in excerpt) | performance | Helped |
| Remove pseudo-node adaptation (ablation) | N² · three benchmarks (names not specified in excerpt) | accuracy | Hurt |
| Remove local message passing (ablation) | N² · node classification benchmarks | accuracy | Hurt |
| Remove global message passing (ablation) | N² · graph-classification benchmarks | accuracy | Hurt |
| Add specially distinguished messages rather than pass node states directly (ablation) | N² · questions | score: 76.01 -> 78.07 | Helped |
| Add specially distinguished messages rather than pass node states directly (ablation) | N² · amazon-ratings | score: 47.79 -> 50.25 | Helped |
| Add specially distinguished messages rather than pass node states directly (ablation) | N² · AmazonPhoto | score: 93.80 -> 95.75 | Helped |
| Use pseudo-node message passing instead of dense message passing (ablation) | N² · IMDB-B | accuracy: 77.94 -> 79.95 | Helped |
| Use pseudo-node message passing instead of dense message passing (ablation) | N² · IMDB-M | accuracy: 56.41 -> 57.31 | Helped |
| Use pseudo-node message passing instead of dense message passing (ablation) | N² · PROTEINS | accuracy: 76.94 -> 77.53 | Helped |
| Increase the number of pseudo nodes (ablation) | N² · PROTEINS | accuracy | Mixed |
| Use multiple recurrent layers instead of one shared layer when recursive steps exceed 8 (ablation) | N² · amazon-ratings and AmazonPhoto | performance | Helped |
Surprising findings
- Pseudo nodes outperform dense message passing on IMDB-B, IMDB-M, and PROTEINS, which the authors attribute to pseudo nodes acting as information filters.
- Accuracy degrades when the number of pseudo nodes is too large (e.g., 256 on PROTEINS), which the authors attribute to exceeding the optimization capacity.
Limitations
- Performance degrades as the number of recursive steps grows.
- Only a simple recurrent update mechanism was studied.
- Only a subset of GNN neurons are embedded in the common state space; bridging all neurons remains open.
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
Closest papers by meaning
- Cooperative Graph Neural Networks (ICML 2024 · similarity 0.89)
- Beyond Message Passing: Neural Graph Pattern Machine (ICML 2025 · similarity 0.89)
- Expressive Power of Temporal Message Passing (AAAI 2025 · similarity 0.89)
- Recurrent Graph Neural Networks and Their Connections to Bisimulation and Logic (AAAI 2024 · similarity 0.89)
- Accurate and Scalable Graph Neural Networks via Message Invariance (ICLR 2025 · similarity 0.89)
- Probabilistic Graph Rewiring via Virtual Nodes (NeurIPS 2024 · similarity 0.88)
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