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3 months ago

DRew: Dynamically Rewired Message Passing with Delay

Benjamin Gutteridge Xiaowen Dong Michael Bronstein Francesco Di Giovanni

DRew: Dynamically Rewired Message Passing with Delay

Abstract

Message passing neural networks (MPNNs) have been shown to suffer from the phenomenon of over-squashing that causes poor performance for tasks relying on long-range interactions. This can be largely attributed to message passing only occurring locally, over a node's immediate neighbours. Rewiring approaches attempting to make graphs 'more connected', and supposedly better suited to long-range tasks, often lose the inductive bias provided by distance on the graph since they make distant nodes communicate instantly at every layer. In this paper we propose a framework, applicable to any MPNN architecture, that performs a layer-dependent rewiring to ensure gradual densification of the graph. We also propose a delay mechanism that permits skip connections between nodes depending on the layer and their mutual distance. We validate our approach on several long-range tasks and show that it outperforms graph Transformers and multi-hop MPNNs.

Code Repositories

bengutteridge/drew
Official
pytorch
Mentioned in GitHub

Benchmarks

BenchmarkMethodologyMetrics
graph-classification-on-peptides-funcDRew-GCN+LapPE
AP: 0.7150±0.0044
graph-regression-on-peptides-structDRew-GCN+LapPE
MAE: 0.2536±0.0015
link-prediction-on-pcqm-contactDRew-GCN
MRR: 0.3444±0.0017
node-classification-on-pascalvoc-sp-1DRew-GatedGCN+LapPE
macro F1: 0.3314±0.0024

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DRew: Dynamically Rewired Message Passing with Delay | Papers | HyperAI