KDD 2023

An Efficient Subgraph GNN with Provable Substructure Counting Power

Zuoyu Yan, Junru Zhou, Liangcai Gao, Zhi Tang, Muhan Zhang

Main figure for An Efficient Subgraph GNN with Provable Substructure Counting Power

Abstract

We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous subgraphs, subsequently applying GNNs to each to augment the graph's overall representation. Despite their ability to identify various substructures, subgraph GNNs are hindered by significant computational and memory costs. In this paper, we tackle a critical question: Is it possible for GNNs to count substructures both efficiently and provably? Our approach begins with a theoretical demonstration that the distance to rooted nodes in subgraphs is key to boosting the counting power of subgraph GNNs. To avoid the need for repetitively applying GNN across all subgraphs, we introduce precomputed structural embeddings that encapsulate this crucial distance information. Experiments validate that our proposed model retains the counting power of subgraph GNNs while achieving significantly faster performance.

Proposed method: ESC-GNN

Benchmark Results

Tested on 2 datasets 1 baseline value reported too low

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

OGB

#ModelROC-AUC ↑Paper
1
Multi-RF Fusion with Multi-GNN Blending
0.8476 ±0.0002
2
HyperFusion
0.8475 ±0.0003
3
PAS+FPs
0.8420 ±0.0015
8
CIN
0.8094 ±0.0057
This paper
9
GatedGCN
0.8090 ±0.0160
18
GSN
actual #18 vs paper #101 83 places worse
0.8039 ±0.0090
best reported
actual #18 vs paper #101 83 places worse
paper 0.7799 ±0.0001
paper 0.7799 ±0.0001 Δ at pub 0.0240 Δ today 0.0240
30
SUN
0.8003 ±0.0055
This paper
37
DGN
0.7970 ±0.0097
This paper
38
GIN-AK+
actual #38 vs paper #38
0.7961 ±0.0119
actual #38 vs paper #38
paper 0.7961 ±0.0119

Improvement within reported uncertainty; not highlighted.

paper 0.7961 ±0.0119 Δ at pub 0.0139
53
ESC-GNN
0.7921 ±0.0084
This paper
62
PNA
0.7905 ±0.0132
This paper
75
I^2-GNN
0.7868 ±0.0093
This paper
83
PL-GNN
0.7849 ±0.0101
This paper
86
NGNN
0.7834 ±0.0186
This paper
100
OSAN
0.7801 ±0.0104
This paper
109
GIN
actual #109 vs paper #150 41 places worse
0.7780 ±0.0182
best reported
actual #109 vs paper #150 41 places worse
paper 0.7707 ±0.0149

Difference within reported uncertainty; not counted as underperformance.

paper 0.7707 ±0.0149 Δ at pub 0.0073
130
Graphtransformer
0.7740 ±0.0177
This paper
160
GraphSAGE
0.7690 ±0.0136
166
DSS-GNN
0.7678 ±0.0166
This paper

GNNBenchmark

#ModelAccuracy ↑Paper
19
ESC-GNN
1.0000
This paper
18
I^2-GNN
1.0000
This paper
1
PPGN
1.0000
2
RW-AgentNet
1.0000
3
AgentNet
1.0000
8
GCN
1.0000
49
3-GNN
0.9570
This paper
78
MPNN
0.1000
This paper
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best at pub — reported result worse than the best known when published (best reported in green)