Formatting Instructions for ICLR 2021 Conference Submissions

Omri Puny, Heli Ben-Hamu, Y. Lipman

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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

#ModelHits@50 ↑Paper
1
PROXI
0.7650 ±0.0027
2
OGB Leader
0.7129 ±0.0018
3
GIDN
0.7096 ±0.0055
9
GCN
actual #9 vs paper #93 84 places worse
0.6621 ±0.0033
best reported
actual #9 vs paper #93 84 places worse
paper 0.4470 ±0.0110
best at pub: OGB (NeurIPS 2020)
paper 0.4470 ±0.0110 Δ at pub 0.0244 Δ today 0.2151
28
SAGE
0.5944 ±0.0137
41
GraphSAGE
actual #41 vs paper #81 40 places worse
0.5463 ±0.0112
best reported
actual #41 vs paper #81 40 places worse
paper 0.4810 ±0.0080
best at pub: OGB (NeurIPS 2020)
paper 0.4810 ±0.0080 Δ at pub 0.0653 Δ today 0.0653
55
LRGA+GCN
actual #55 vs paper #55
0.5221 ±0.0072
best reported
actual #55 vs paper #55
paper 0.5220 ±0.0070

Difference within reported uncertainty; not counted as underperformance.

paper 0.5220 ±0.0070 Δ today 0.0001
60
DeepWalk
0.5040 ±0.0030
This paper
68
Node2Vec
actual #68 vs paper #76 8 places worse
0.4890 ±0.0050
actual #68 vs paper #76 8 places worse
paper 0.4890 ±0.0050
prev best: OGB (NeurIPS 2020)

Improvement within reported uncertainty; not highlighted.

paper 0.4890 ±0.0050 Δ at pub 0.0002
94
MLP
0.4438 ±0.0347
98
MF
actual #98 vs paper #101 3 places worse
0.4181 ±0.0167
best reported
actual #98 vs paper #101 3 places worse
paper 0.3890 ±0.0030
paper 0.3890 ±0.0030 Δ today 0.0291
#ModelHits@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
actual #24 vs paper #55 31 places worse
0.6476 ±0.0145
best reported
actual #24 vs paper #55 31 places worse
paper 0.3700 ±0.0500
best at pub: OGB (NeurIPS 2020)
paper 0.3700 ±0.0500 Δ at pub 0.0007 Δ today 0.2776
25
Node2Vec
actual #25 vs paper #68 43 places worse
0.2330 ±0.0210
actual #25 vs paper #68 43 places worse
paper 0.2330 ±0.0210
prev best: OGB (NeurIPS 2020)

Improvement within reported uncertainty; not highlighted.

paper 0.2330 ±0.0210 Δ at pub 0.0004 Δ today 0.4033
28
LRGA+GCN
0.6230 ±0.0910
This paper
31
MF
actual #31 vs paper #81 50 places worse
0.5950 ±0.0168
best reported
actual #31 vs paper #81 50 places worse
paper 0.1370 ±0.0470
paper 0.1370 ±0.0470 Δ today 0.4580
38
GraphSAGE
0.5390 ±0.0470
This paper
65
DeepWalk
0.2640 ±0.0610
This paper
#ModelHits@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
actual #45 vs paper #59 14 places worse
0.1870 ±0.0130
actual #45 vs paper #59 14 places worse
paper 0.1870 ±0.0130
prev best: OGB (NeurIPS 2020)

Improvement within reported uncertainty; not highlighted.

paper 0.1870 ±0.0130 Δ at pub 0.0003 Δ today 0.1214
46
DeepWalk
0.2890 ±0.0150
This paper
57
Node2Vec
actual #57 vs paper #57
0.2230 ±0.0080
actual #57 vs paper #57
paper 0.2230 ±0.0080
prev best: OGB (NeurIPS 2020)

Improvement within reported uncertainty; not highlighted.

paper 0.2230 ±0.0080 Δ at pub 0.0004
63
GraphSAGE
actual #63 vs paper #64 1 place worse
0.1655 ±0.0240
best reported
actual #63 vs paper #64 1 place worse
paper 0.1650 ±0.0240
best at pub: OGB (NeurIPS 2020)

Difference within reported uncertainty; not counted as underperformance.

paper 0.1650 ±0.0240 Δ at pub 0.0005 Δ today 0.0005

GNNBenchmark

#ModelAccuracy ↑Paper
1
Schrödinger
0.9913 ±0.0004
2
CNN
0.9907 ±0.0007
3
MPNN
0.9895 ±0.0006
11
GatedGCN
actual #11 vs paper #36 25 places worse
0.9855 ±0.0002
best reported
actual #11 vs paper #36 25 places worse
paper 0.9824 ±0.0004
paper 0.9824 ±0.0004 Δ today 0.0031
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
actual #86 vs paper #110 24 places worse
0.9755 ±0.0003
best reported
actual #86 vs paper #110 24 places worse
paper 0.9650 ±0.0018
paper 0.9650 ±0.0018 Δ today 0.0105
126
MLP
0.9534 ±0.0014
135
GCN
actual #135 vs paper #136 1 place worse
0.9405 ±0.0005
best reported
actual #135 vs paper #136 1 place worse
paper 0.9139 ±0.0025
paper 0.9139 ±0.0025 Δ today 0.0266
#ModelAccuracy ↑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
actual #124 vs paper #128 4 places worse
0.5839 ±0.0073
best reported
actual #124 vs paper #128 4 places worse
paper 0.5571 ±0.0038
paper 0.5571 ±0.0038 Δ today 0.0268
126
MLP
0.5634 ±0.0018
#ModelAccuracy ↑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
actual #54 vs paper #62 8 places worse
0.7608 ±0.0020
best reported
actual #54 vs paper #62 8 places worse
paper 0.7384 ±0.0032
paper 0.7384 ±0.0032 Δ today 0.0224
56
LRGA+GCN
0.7601 ±0.0067
This paper
67
GAT
actual #67 vs paper #67
0.7059 ±0.0045
best reported
actual #67 vs paper #67
paper 0.7058 ±0.0044

Difference within reported uncertainty; not counted as underperformance.

paper 0.7058 ±0.0044 Δ today 0.0001
70
GCN
actual #70 vs paper #72 2 places worse
0.6903 ±0.0137
best reported
actual #70 vs paper #72 2 places worse
paper 0.6849 ±0.0097

Difference within reported uncertainty; not counted as underperformance.

paper 0.6849 ±0.0097 Δ today 0.0054
79
GIN
0.6472 ±0.0155
114
MLP
0.2097 ±0.0000
#ModelAccuracy ↑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
#ModelF1 ↑Paper
1
TGT-Agx4
0.8710 ±0.0010
2
TGT-Agx3
0.8660 ±0.0010
3
GIG-GatedGCN
0.8630 ±0.0010
8
GatedGCN
actual #8 vs paper #10 2 places worse
0.8380 ±0.0020
best reported
actual #8 vs paper #10 2 places worse
paper 0.8080 ±0.0030
paper 0.8080 ±0.0030 Δ today 0.0300
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
actual #21 vs paper #22 1 place worse
0.6430 ±0.0010
best reported
actual #21 vs paper #22 1 place worse
paper 0.6300 ±0.0010
paper 0.6300 ±0.0010 Δ today 0.0130
24
MLP
0.5440 ±0.0010
SOTA performance (not significantly different from the best) 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