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.
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
| # | Model | F1 ↑ | 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 |
| # | Model | MRR ↑ | Paper |
|---|---|---|---|
| 1 | FloydNet | 0.6143 | |
| 2 | Exphormer | 0.4737
±0.0024 | |
| 3 | Exphormer + LapPE | 0.4737
±0.0024 | |
| 8 | GatedGCN | 0.4670
±0.0004 best reported | best at pub: GEN: A Practical Alternative to Graph Transformers for Long-Range Graph Modeling (2024) best today: Benchmarking Positional Encodings for GNNs and Graph Transformers (KDD 2024) |
| 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 | 0.3350
±0.0003 best reported | |
| 79 | Transformer | 0.3174
±0.0020 | This paper |
| # | Model | F1 ↑ | Paper |
|---|---|---|---|
| 1 | FloydNet | 0.4901 | |
| 2 | CRaWl | 0.4588
±0.0079 | |
| 3 | GPS | 0.4440
±0.0065 | |
| 12 | GEAET | 0.3895 | This paper |
| 16 | GatedGCN | 0.3880
±0.0040 | |
| 45 | GCN | 0.2078
±0.0031 | |
| 74 | MLP | 0.0310
±0.0160 |
