ICML 2022

Going Deeper into Permutation-Sensitive Graph Neural Networks

Zhongyu Huang, Yingheng Wang, Chaozhuo Li, Huiguang He

Main figure for Going Deeper into Permutation-Sensitive Graph Neural Networks

Abstract

The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node permutations when aggregating messages. However, such an invariant manner may ignore the relationships among neighboring nodes, thereby hindering the expressivity of GNNs. In this work, we devise an efficient permutation-sensitive aggregation mechanism via permutation groups, capturing pairwise correlations between neighboring nodes. We prove that our approach is strictly more powerful than the 2-dimensional Weisfeiler-Lehman (2-WL) graph isomorphism test and not less powerful than the 3-WL test. Moreover, we prove that our approach achieves the linear sampling complexity. Comprehensive experiments on multiple synthetic and real-world datasets demonstrate the superiority of our model.

Benchmark Results

Tested on 4 datasets

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

TU Dortmund

#ModelAccuracy ↑Paper
1
WL-MLP
0.9954
2
GIN
0.9934
3
GCN
0.9727
86
MPNNs
0.8280 ±0.0130
This paper
131
GraphSAGE
0.8200 ±0.0100
#ModelAccuracy ↑Paper
1
MSH-GNN
0.9410 ±0.0330
2
GRDL
0.8260 ±0.0120
3
GMN
0.8225
32
GIN
0.7880 ±0.0410
92
PG-GNN
0.7680 ±0.0380
This paper
149
MLP
0.7600 ±0.0320
#ModelAccuracy ↑Paper
1
WL-MLP
0.9792
2
MSH-GNN
0.9640 ±0.0070
3
CoCN
0.8722 ±0.0013
23
GCN
0.8260 ±0.0220
88
PG-GNN
0.8090 ±0.0080
This paper
151
MLP
0.7920 ±0.0240

GNNBenchmark

#ModelAccuracy ↑Paper
1
Schrödinger
0.9913 ±0.0004
2
CNN
0.9907 ±0.0007
3
MPNN
0.9895 ±0.0006
11
GatedGCN
0.9855 ±0.0002
32
GIN
0.9833 ±0.0011
88
PG-GNN
0.9751 ±0.0007
This paper
126
MLP
0.9534 ±0.0014
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers)