ICML 2023

DRew: Dynamically Rewired Message Passing with Delay

Benjamin Gutteridge, Xiaowen Dong, Michael M. Bronstein, Francesco Di Giovanni

Main figure for 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.

Benchmark Results

Tested on 1 dataset

Tables show presented results in global context (best 3 papers + GCN + MLP).

LRGB

#ModelMRR ↑Paper
1
FloydNet
0.6143
2
Exphormer
0.4737 ±0.0024
3
Exphormer + LapPE
0.4737 ±0.0024
8
GatedGCN
0.4670 ±0.0004
14
GraphGPS+LapPE
actual #14 vs paper #62 48 places worse
0.4622 ±0.0012
best reported
actual #14 vs paper #62 48 places worse
paper 0.3337 ±0.0006
paper 0.3337 ±0.0006 Δ today 0.1285
16
GIN
0.4617 ±0.0005
48
DRew-GCN
0.3444 ±0.0017
This paper
49
DRew-GCN+LapPE
0.3442 ±0.0006
This paper
54
DRew-GIN+LapPE
0.3403 ±0.0035
This paper
65
DRew-GatedGCN+LapPE
0.3324 ±0.0014
This paper
66
DRew-GIN
0.3300 ±0.0007
This paper
67
DRew-GatedGCN
0.3293 ±0.0005
This paper
73
MixHop-GCN+LapPE
0.3250 ±0.0010
This paper
76
GatedGCN+PE
0.3242 ±0.0008
This paper
78
MixHop-GCN
0.3183 ±0.0009
This paper
89
DIGL+MPNN+LapPE
0.1707 ±0.0021
This paper
90
DIGL+MPNN
0.1656 ±0.0029
This paper
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best today — OK at publication; today's leaderboard best is elsewhere