Transformer for Graphs: An Overview from Architecture Perspective

Erxue Min, Runfa Chen, Yatao Bian, Tingyang Xu, Kangfei Zhao, Wenbing Huang, P. Zhao, Junzhou Huang, S. Ananiadou, Yu Rong

Main figure for Transformer for Graphs: An Overview from Architecture Perspective

Abstract

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to adapt to the graph-structured data. However, a comprehensive literature review and systematical evaluation of these Transformer variants for graphs are still unavailable. It's imperative to sort out the existing Transformer models for graphs and systematically investigate their effectiveness on various graph tasks. In this survey, we provide a comprehensive review of various Graph Transformer models from the architectural design perspective. We first disassemble the existing models and conclude three typical ways to incorporate the graph information into the vanilla Transformer: 1) GNNs as Auxiliary Modules, 2) Improved Positional Embedding from Graphs, and 3) Improved Attention Matrix from Graphs. Furthermore, we implement the representative components in three groups and conduct a comprehensive comparison on various kinds of famous graph data benchmarks to investigate the real performance gain of each component. Our experiments confirm the benefits of current graph-specific modules on Transformer and reveal their advantages on different kinds of graph tasks.

Benchmark Results

Tested on 2 datasets

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
9
GatedGCN
0.8090 ±0.0160
40
AT Mask-1
0.7960
This paper
109
GIN
0.7780 ±0.0182
121
GA parallel
0.7750
This paper
209
AT SPB
0.7589
This paper
237
PE degree
0.7506
This paper
246
TF vanilla
0.7466
This paper
252
GA alter
0.7433
This paper
253
AT Mask-n
0.7423
This paper
258
PE eig
0.7407
This paper
265
PE svd
0.7350
This paper
267
GA before
0.7339
This paper
270
AT PMA
0.7314
This paper
#ModelAP ↑Paper
1
GRPE-Large
0.3150 ±0.0010
2
Graphormer
0.3140
3
Graphormer-FLAG
0.3139 ±0.0032
31
GIN
0.2902 ±0.0017
60
AT Mask-1
0.2662
This paper
65
AT SPB
0.2621
This paper
67
AT Mask-n
0.2619
This paper
75
AT PMA
0.2518
This paper
77
GA alter
0.2474
This paper
80
GA parallel
0.2444
This paper
90
GA before
0.2269
This paper
93
PE eig
0.2194
This paper
105
PE svd
0.1767
This paper
106
TF vanilla
0.1676
This paper
107
PE degree
0.1672
This paper
SOTA performance (not significantly different from the best) Baseline / comparison (this paper) Global context (other papers)