ICML 2024

Graph External Attention Enhanced Transformer

Jianqing Liang, Min Chen, Jiye Liang

Main figure for Graph External Attention Enhanced Transformer

Abstract

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or positional and structural encodings. Despite making some progress, existing works tend to overlook external information of graphs, specifically the correlation between graphs. Intuitively, graphs with similar structures should have similar representations. Therefore, we propose Graph External Attention (GEA) -- a novel attention mechanism that leverages multiple external node/edge key-value units to capture inter-graph correlations implicitly. On this basis, we design an effective architecture called Graph External Attention Enhanced Transformer (GEAET), which integrates local structure and global interaction information for more comprehensive graph representations. Extensive experiments on benchmark datasets demonstrate that GEAET achieves state-of-the-art empirical performance. The source code is available for reproducibility at: https://github.com/icm1018/GEAET.

Proposed method: GEAET

Benchmark Results

Tested on 3 datasets 1 baseline value reported too low

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

LRGB

#ModelF1 ↑Paper
1
NeuralWalker
0.4912 ±0.0042
2
PPGT
0.4641 ±0.0033
3
CRaWl
0.4588 ±0.0079
4
GEAET
0.4585
This paper
41
GatedGCN
0.3880 ±0.0040
81
GCN
0.2380 ±0.0160
93
MLP
0.1140 ±0.0230
#ModelMRR ↑Paper
1
FloydNet
0.6143
2
Exphormer
0.4737 ±0.0024
3
Exphormer + LapPE
0.4737 ±0.0024
8
GatedGCN
actual #8 vs paper #74 66 places worse
0.4670 ±0.0004
best reported
actual #8 vs paper #74 66 places worse
paper 0.3242 ±0.0008
paper 0.3242 ±0.0008 Δ at pub 0.0253 Δ today 0.1428
16
GIN
0.4617 ±0.0005
41
GEAET
0.3518 ±0.0011
This paper
56
Graph Diffuser
0.3388 ±0.0011
This paper
60
SAN
actual #60 vs paper #61 1 place worse
0.3350 ±0.0003
best reported
actual #60 vs paper #61 1 place worse
paper 0.3341 ±0.0006
79
Transformer
0.3174 ±0.0020
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) Best today — OK at publication; today's leaderboard best is elsewhere