Node Representation Learning in Graph via Node-to-Neighbourhood Mutual Information Maximization

Wei Dong, Junsheng Wu, Yi Luo, ZongYuan Ge, Peifeng Wang

Main figure for Node Representation Learning in Graph via Node-to-Neighbourhood Mutual Information Maximization

Abstract

The key towards learning informative node representations in graphs lies in how to gain contextual information from the neighbourhood. In this work, we present a simple-yet-effective self-supervised node representation learning strategy via directly maximizing the mutual information between the hidden representations of nodes and their neighbourhood, which can be theoretically justified by its link to graph smoothing. Following InfoNCE, our framework is optimized via a surrogate contrastive loss, where the positive selection underpins the quality and efficiency of representation learning. To this end, we propose a topology-aware positive sampling strategy, which samples positives from the neighbourhood by considering the structural dependencies between nodes and thus enables positive selection upfront. In the extreme case when only one positive is sampled, we fully avoid expensive neighbourhood aggregation. Our methods achieve promising performance on various node classification datasets. It is also worth mentioning by applying our loss function to MLP based node encoders, our methods can be orders of faster than existing solutions. Our codes and supplementary materials are available at.

Proposed method: N2N

Benchmark Results

Tested on 3 datasets 11 baseline values reported too low

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

Classic

#ModelAccuracy ↑Paper
1
GraphSAGE+CNA
0.9418 ±0.0033
2
GCN+CNA
0.9366 ±0.0048
3
TransformerConv
0.9350 ±0.0058
21
GCN
actual #21 vs paper #237 216 places worse
0.9004
best reported
actual #21 vs paper #237 216 places worse
paper 0.8472 ±0.0008
paper 0.8472 ±0.0008 Δ at pub 0.0245 Δ today 0.0532
31
SplineCNN
actual #31 vs paper #206 175 places worse
0.8948 ±0.0031
best reported
actual #31 vs paper #206 175 places worse
paper 0.8545 ±0.0016
paper 0.8545 ±0.0016 Δ at pub 0.0403
39
SAGE
0.8911 ±0.0012
44
GAT
actual #44 vs paper #218 174 places worse
0.8897 ±0.0014
best reported
actual #44 vs paper #218 174 places worse
paper 0.8523 ±0.0015
paper 0.8523 ±0.0015 Δ at pub 0.0367 Δ today 0.0374
83
N2N
0.8820 ±0.0005
This paper
94
N2N-TAPS-4 (URL)
0.8804 ±0.0011
This paper
102
N2N-TAPS-3 (URL)
0.8796 ±0.0008
This paper
109
N2N-TAPS-5 (URL)
0.8784 ±0.0009
This paper
143
Graph-MLP
actual #143 vs paper #465 322 places worse
0.8250 ±0.0010
actual #143 vs paper #465 322 places worse
paper 0.8250 ±0.0010
paper 0.8250 ±0.0010 Δ at pub 0.0300 Δ today 0.0456
156
MVGRL
actual #156 vs paper #212 56 places worse
0.8538 ±0.0006
actual #156 vs paper #212 56 places worse
paper 0.8538 ±0.0006
paper 0.8538 ±0.0006 Δ at pub 0.0188 Δ today 0.0142
176
N2N-TAPS-2 (JL)
0.8636 ±0.0016
This paper
177
DGI
actual #177 vs paper #223 46 places worse
0.8508 ±0.0005
actual #177 vs paper #223 46 places worse
paper 0.8508 ±0.0005
paper 0.8508 ±0.0005 Δ at pub 0.0278 Δ today 0.0122
206
N2N-TAPS-1 (JL)
0.8546 ±0.0008
This paper
210
PNA
0.8540 ±0.0012
This paper
218
GMI
actual #218 vs paper #218
0.8526 ±0.0008
actual #218 vs paper #218
paper 0.8526 ±0.0008
paper 0.8526 ±0.0008 Δ at pub 0.0246
222
CS-GCN
0.8514 ±0.0004
This paper
223
SGC
actual #223 vs paper #278 55 places worse
0.8425 ±0.0010
actual #223 vs paper #278 55 places worse
paper 0.8425 ±0.0010
paper 0.8425 ±0.0010 Δ at pub 0.0235
224
GraphSAGE-mean
actual #224 vs paper #224
0.8504 ±0.0012
actual #224 vs paper #224
paper 0.8504 ±0.0012
prev best: Graph-Coupled Oscillator Networks (ICML 2022)

Improvement within reported uncertainty; not highlighted.

paper 0.8504 ±0.0012 Δ at pub 0.0584
226
FastGCN
actual #226 vs paper #299 73 places worse
0.8500
best reported
actual #226 vs paper #299 73 places worse
paper 0.8408 ±0.0004
paper 0.8408 ±0.0004 Δ at pub 0.0092 Δ today 0.0092
251
L2-GCN
0.8456 ±0.0003
This paper
268
InfoGraph
0.8432 ±0.0008
This paper
378
N2N-Random-1 (JL)
0.8346 ±0.0018
This paper
435
DeepWalk
actual #435 vs paper #718 283 places worse
0.8290
best reported
actual #435 vs paper #718 283 places worse
paper 0.7784 ±0.0012
paper 0.7784 ±0.0012 Δ at pub 0.0506
645
Node2Vec
actual #645 vs paper #773 128 places worse
0.8030
best reported
actual #645 vs paper #773 128 places worse
paper 0.7515 ±0.0006
paper 0.7515 ±0.0006 Δ at pub 0.0515
724
MLP
0.7768
#ModelAccuracy ↑Paper
1
CNA
0.9575 ±0.0058
2
IS-GIB
0.9390 ±0.0187
3
EERM
0.9112 ±0.0145
30
N2N-TAPS-4 (JL)
0.8106 ±0.0011
This paper
33
N2N
0.8090 ±0.0021
This paper
34
N2N-TAPS-5 (JL)
0.8084 ±0.0011
This paper
35
GAT
actual #35 vs paper #87 52 places worse
0.8080 ±0.0026
best reported
actual #35 vs paper #87 52 places worse
paper 0.7805 ±0.0026
paper 0.7805 ±0.0026 Δ at pub 0.0208 Δ today 0.0275
39
N2N-TAPS-3 (JL)
0.8064 ±0.0014
This paper
43
N2N-TAPS-2 (JL)
0.8034 ±0.0006
This paper
44
GCN
actual #44 vs paper #85 41 places worse
0.8033 ±0.0088
best reported
actual #44 vs paper #85 41 places worse
paper 0.7820 ±0.0015
paper 0.7820 ±0.0015 Δ at pub 0.0123 Δ today 0.0213
45
N2N-TAPS-1 (JL)
0.8024 ±0.0013
This paper
61
GraphSAGE
0.7923 ±0.0053
66
DGI
actual #66 vs paper #72 6 places worse
0.7882 ±0.0015
actual #66 vs paper #72 6 places worse
paper 0.7882 ±0.0015
paper 0.7882 ±0.0015 Δ at pub 0.0702
69
Graph-MLP
actual #69 vs paper #69
0.7886 ±0.0008
actual #69 vs paper #69
paper 0.7886 ±0.0008
paper 0.7886 ±0.0008 Δ at pub 0.0576
70
CS-GCN
0.7885 ±0.0016
This paper
71
InfoGraph
0.7885 ±0.0012
This paper
72
SplineCNN
0.7883 ±0.0013
This paper
73
GMI
actual #73 vs paper #73
0.7869 ±0.0016
actual #73 vs paper #73
paper 0.7869 ±0.0016
paper 0.7869 ±0.0016 Δ at pub 0.0569
85
PNA
0.7828 ±0.0005
This paper
87
MVGRL
actual #87 vs paper #87
0.7808 ±0.0006
actual #87 vs paper #87
paper 0.7808 ±0.0006
paper 0.7808 ±0.0006 Δ at pub 0.0508
93
GraphSAGE-mean
actual #93 vs paper #93
0.7782 ±0.0015
actual #93 vs paper #93
paper 0.7782 ±0.0015
prev best: Graph-Coupled Oscillator Networks (ICML 2022)
paper 0.7782 ±0.0015 Δ at pub 0.0622
96
SGC
actual #96 vs paper #96
0.7765 ±0.0012
actual #96 vs paper #96
paper 0.7765 ±0.0012
paper 0.7765 ±0.0012 Δ at pub 0.0575
97
FastGCN
actual #97 vs paper #97
0.7765 ±0.0005
actual #97 vs paper #97
paper 0.7765 ±0.0005

Improvement within reported uncertainty; not highlighted.

paper 0.7765 ±0.0005 Δ at pub 0.0005
112
L2-GCN
0.7706 ±0.0008
This paper
118
N2N-Random-1 (JL)
0.7685 ±0.0030
This paper
350
MLP
0.7289 ±0.0010
692
DeepWalk
actual #692 vs paper #828 136 places worse
0.6024 ±0.0028
actual #692 vs paper #828 136 places worse
paper 0.6024 ±0.0028
paper 0.6024 ±0.0028 Δ at pub 0.0884 Δ today 0.0761
766
Node2Vec
actual #766 vs paper #766
0.6552 ±0.0018
actual #766 vs paper #766
paper 0.6552 ±0.0018
paper 0.6552 ±0.0018 Δ at pub 0.1082
#ModelAccuracy ↑Paper
1
LGTL
0.9518 ±0.0011
2
MixHop (LO)
0.9513 ±0.0038
3
GraphSAGE (LO)
0.9511 ±0.0036
18
GCN
actual #18 vs paper #206 188 places worse
0.9296 ±0.0015
best reported
actual #18 vs paper #206 188 places worse
paper 0.8702 ±0.0006
20
GAT
actual #20 vs paper #162 142 places worse
0.9233 ±0.0018
best reported
actual #20 vs paper #162 142 places worse
paper 0.8785 ±0.0014
38
N2N-TAPS-1 (JL)
0.9108 ±0.0016
This paper
42
N2N
0.9092 ±0.0009
This paper
44
N2N-TAPS-4 (JL)
0.9078 ±0.0007
This paper
45
N2N-TAPS-5 (JL)
0.9078 ±0.0020
This paper
46
N2N-TAPS-2 (JL)
0.9076 ±0.0014
This paper
47
N2N-TAPS-3 (JL)
0.9074 ±0.0005
This paper
113
Graph-MLP
actual #113 vs paper #195 82 places worse
0.8893 ±0.0063
best reported
actual #113 vs paper #195 82 places worse
paper 0.8725 ±0.0013
paper 0.8725 ±0.0013 Δ today 0.0168
116
SAGE
0.8881 ±0.0015
141
SGC
actual #141 vs paper #220 79 places worse
0.8668 ±0.0006
actual #141 vs paper #220 79 places worse
paper 0.8668 ±0.0006
paper 0.8668 ±0.0006 Δ at pub 0.0426 Δ today 0.0164
159
FastGCN
actual #159 vs paper #209 50 places worse
0.8800
best reported
actual #159 vs paper #209 50 places worse
paper 0.8692 ±0.0008
paper 0.8692 ±0.0008 Δ at pub 0.0108 Δ today 0.0108
164
SplineCNN
0.8782 ±0.0008
This paper
169
CS-GCN
0.8775 ±0.0008
This paper
185
InfoGraph
0.8756 ±0.0012
This paper
195
GMI
actual #195 vs paper #195
0.8726 ±0.0016
actual #195 vs paper #195
paper 0.8726 ±0.0016
paper 0.8726 ±0.0016 Δ at pub 0.0716
196
MVGRL
actual #196 vs paper #196
0.8725 ±0.0012
actual #196 vs paper #196
paper 0.8725 ±0.0012
paper 0.8725 ±0.0012 Δ at pub 0.0745
198
PNA
0.8720 ±0.0007
This paper
200
GraphSAGE-mean
actual #200 vs paper #200
0.8715 ±0.0014
actual #200 vs paper #200
paper 0.8715 ±0.0014
prev best: Graph-Coupled Oscillator Networks (ICML 2022)
paper 0.8715 ±0.0014 Δ at pub 0.0975
204
DGI
actual #204 vs paper #206 2 places worse
0.8703 ±0.0008
actual #204 vs paper #206 2 places worse
paper 0.8703 ±0.0008
210
MLP
0.8690 ±0.0074
214
L2-GCN
0.8680 ±0.0006
This paper
223
DeepWalk
actual #223 vs paper #223
0.8652 ±0.0012
actual #223 vs paper #223
paper 0.8652 ±0.0012
prev best: Contrastive Laplacian Eigenmaps (NeurIPS 2022)
paper 0.8652 ±0.0012 Δ at pub 0.1572
227
N2N-Random-1 (JL)
0.8620 ±0.0008
This paper
251
Node2Vec
actual #251 vs paper #251
0.8520 ±0.0002
actual #251 vs paper #251
paper 0.8520 ±0.0002
paper 0.8520 ±0.0002 Δ at pub 0.0990
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 at pub — reported value improved over the best known when published Improved at pub — later paper surpassed this result Best today — OK at publication; today's leaderboard best is elsewhere