Formatting Instructions for ICLR 2021 Conference Submissions
Abstract
This paper advocates incorporating a Low-Rank Global Attention (LRGA) module, a computation and memory efficient variant of the dot-product attention, to Graph Neural Networks (GNNs) for improving their generalization power. To theoretically quantify the generalization properties granted by adding the LRGA module to GNNs, we focus on a specific family of expressive GNNs and show that augmenting it with LRGA provides algorithmic alignment to a powerful graph isomorphism test, namely the 2-Folklore Weisfeiler-Lehman (2-FWL) algorithm. In more detail we: (i) consider the recent Random Graph Neural Network (RGNN) framework and prove that it is universal in probability; (ii) show that RGNN augmented with LRGA aligns with 2-FWL update step via polynomial kernels; and (iii) bound the sample complexity of the kernel's feature map when learned with a randomly initialized two-layer MLP. From a practical point of view, augmenting existing GNN layers with LRGA produces state of the art results in current GNN benchmarks. Lastly, we observe that augmenting various GNN architectures with LRGA often closes the performance gap between different models.
Benchmark Results
Tested on 8 datasets 2 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
OGB
| # | Model | Hits@50 ↑ | Paper |
|---|---|---|---|
| 1 | PROXI | 0.7650
±0.0027 | |
| 2 | OGB Leader | 0.7129
±0.0018 | |
| 3 | GIDN | 0.7096
±0.0055 | |
| 9 | GCN | 0.6621
±0.0033 best reported | best at pub: OGB (NeurIPS 2020) best today: On the Impact of Feature Heterophily on Link Prediction with Graph Neural Networks (NeurIPS 2024) |
| 28 | SAGE | 0.5944
±0.0137 | |
| 41 | GraphSAGE | 0.5463
±0.0112 best reported | best at pub: OGB (NeurIPS 2020) |
| 55 | LRGA+GCN | 0.5221
±0.0072 best reported | best today: Decoupling the Depth and Scope of Graph Neural Networks (NeurIPS 2022) Difference within reported uncertainty; not counted as underperformance. |
| 60 | DeepWalk | 0.5040
±0.0030 | This paper |
| 68 | Node2Vec | 0.4890
±0.0050 | prev best: OGB (NeurIPS 2020) Improvement within reported uncertainty; not highlighted. |
| 94 | MLP | 0.4438
±0.0347 | |
| 98 | MF | 0.4181
±0.0167 best reported | best today: PROXI: Challenging the GNNs for Link Prediction (TMLR 2024) |
| # | Model | Hits@20 ↑ | Paper |
|---|---|---|---|
| 1 | ELGNN | 0.9777
±0.0037 | |
| 2 | GIDN | 0.9542 | |
| 3 | AGDN | 0.9538
±0.0094 | |
| 20 | SAGE | 0.6719
±0.0118 | |
| 24 | GCN | 0.6476
±0.0145 best reported | best at pub: OGB (NeurIPS 2020) best today: Link Prediction with Untrained Message Passing Layers (2024) |
| 25 | Node2Vec | 0.2330
±0.0210 | prev best: OGB (NeurIPS 2020) best today: Link Prediction with Untrained Message Passing Layers (2024) Improvement within reported uncertainty; not highlighted. |
| 28 | LRGA+GCN | 0.6230
±0.0910 | This paper |
| 31 | MF | 0.5950
±0.0168 best reported | best today: Link Prediction with Untrained Message Passing Layers (2024) |
| 38 | GraphSAGE | 0.5390
±0.0470 | This paper |
| 65 | DeepWalk | 0.2640
±0.0610 | This paper |
| # | Model | Hits@100 ↑ | Paper |
|---|---|---|---|
| 1 | OGB Leader | 0.6524
±0.0150 | |
| 2 | PRB | 0.6347
±0.0175 | |
| 3 | LPFormer | 0.6332
±0.0063 | |
| 14 | SAGE | 0.5013
±0.0055 | |
| 23 | MLP | 0.4600 | |
| 38 | LRGA+GCN | 0.3420
±0.0160 | This paper |
| 42 | MF | 0.3230
±0.0090 | This paper |
| 45 | GCN | 0.1870
±0.0130 | prev best: OGB (NeurIPS 2020) best today: Link Prediction with Untrained Message Passing Layers (2024) Improvement within reported uncertainty; not highlighted. |
| 46 | DeepWalk | 0.2890
±0.0150 | This paper |
| 57 | Node2Vec | 0.2230
±0.0080 | prev best: OGB (NeurIPS 2020) Improvement within reported uncertainty; not highlighted. |
| 63 | GraphSAGE | 0.1655
±0.0240 best reported | best at pub: OGB (NeurIPS 2020) best today: Simplifying Subgraph Representation Learning for Scalable Link Prediction (2023) Difference within reported uncertainty; not counted as underperformance. |
GNNBenchmark
| # | Model | Accuracy ↑ | 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 best reported | |
| 16 | LRGA + GatedGCN | 0.9847
±0.0016 | This paper |
| 23 | LRGA + GAT | 0.9841
±0.0008 | This paper |
| 31 | LRGA+GCN | 0.9834
±0.0006 | This paper |
| 32 | GIN | 0.9833
±0.0011 | |
| 86 | GAT | 0.9755
±0.0003 best reported | |
| 126 | MLP | 0.9534
±0.0014 | |
| 135 | GCN | 0.9405
±0.0005 best reported |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | RandAlign | 0.7942
±0.0007 | |
| 2 | differential encoding | 0.7907
±0.0027 | |
| 3 | PPGT | 0.7856
±0.0070 | |
| 36 | LRGA + GatedGCN | 0.7348
±0.0029 | This paper |
| 61 | LRGA + GAT | 0.7157
±0.0026 | This paper |
| 62 | GatedGCN | 0.7133
±0.0039 | This paper |
| 85 | LRGA+GCN | 0.6827
±0.0046 | This paper |
| 92 | GraphSAGE | 0.6690
±0.0020 | |
| 101 | GAT | 0.6611
±0.0098 | This paper |
| 124 | GCN | 0.5839
±0.0073 best reported | best today: From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awareness (ICLR 2021) |
| 126 | MLP | 0.5634
±0.0018 |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | GRPE-Small | 0.8159
±0.0019 | |
| 2 | TANGO-GPS | 0.8011
±0.0014 | |
| 3 | GRIT | 0.8003
±0.0028 | |
| 52 | LRGA + GatedGCN | 0.7639
±0.0013 | This paper |
| 53 | LRGA + GAT | 0.7616
±0.0034 | This paper |
| 54 | GatedGCN | 0.7608
±0.0020 best reported | best today: GRPE: Relative Positional Encoding for Graph Transformer (2022) |
| 56 | LRGA+GCN | 0.7601
±0.0067 | This paper |
| 67 | GAT | 0.7059
±0.0045 best reported | Difference within reported uncertainty; not counted as underperformance. |
| 70 | GCN | 0.6903
±0.0137 best reported | best today: Recurrent Distance Filtering for Graph Representation Learning (ICML 2023) Difference within reported uncertainty; not counted as underperformance. |
| 79 | GIN | 0.6472
±0.0155 | |
| 114 | MLP | 0.2097
±0.0000 |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | DeepGraph (48) | 0.9066
±0.0006 | |
| 2 | GRIT (our run) | 0.9041
±0.0023 | |
| 3 | GRIT 2-QiQRW | 0.9016
±0.0045 | |
| 66 | GatedGCN | 0.8651
±0.0008 | |
| 88 | GCN | 0.8561
±0.0003 | |
| 99 | LRGA+GCN | 0.8455
±0.0057 | This paper |
| 123 | MLP | 0.5052 |
| # | Model | F1 ↑ | Paper |
|---|---|---|---|
| 1 | TGT-Agx4 | 0.8710
±0.0010 | |
| 2 | TGT-Agx3 | 0.8660
±0.0010 | |
| 3 | GIG-GatedGCN | 0.8630
±0.0010 | |
| 8 | GatedGCN | 0.8380
±0.0020 best reported | best today: Graph in Graph Neural Network (2024) |
| 11 | LRGA + GatedGCN | 0.8070
±0.0010 | This paper |
| 13 | LRGA+GCN | 0.7020
±0.0010 | This paper |
| 17 | LRGA + GAT | 0.6800
±0.0030 | This paper |
| 18 | GAT | 0.6710
±0.0020 | This paper |
| 19 | GraphSAGE | 0.6650
±0.0030 | |
| 21 | GCN | 0.6430
±0.0010 best reported | best today: Graph in Graph Neural Network (2024) |
| 24 | MLP | 0.5440
±0.0010 |
