ICML 2022

Omni-Granular Ego-Semantic Propagation for Self-Supervised Graph Representation Learning

Ling Yang, linda Qiao

Main figure for Omni-Granular Ego-Semantic Propagation for Self-Supervised Graph Representation Learning

Abstract

Unsupervised/self-supervised graph representation learning is critical for downstream node- and graph-level classification tasks. Global structure of graphs helps discriminating representations and existing methods mainly utilize the global structure by imposing additional supervisions. However, their global semantics are usually invariant for all nodes/graphs and they fail to explicitly embed the global semantics to enrich the representations. In this paper, we propose Omni-Granular Ego-Semantic Propagation for Self-Supervised Graph Representation Learning (OEPG). Specifically, we introduce instance-adaptive global-aware ego-semantic descriptors, leveraging the first- and second-order feature differences between each node/graph and hierarchical global clusters of the entire graph dataset. The descriptors can be explicitly integrated into local graph convolution as new neighbor nodes. Besides, we design an omni-granular normalization on the whole scales and hierarchies of the ego-semantic to assign attentional weight to each descriptor from an omni-granular perspective. Specialized pretext tasks and cross-iteration momentum update are further developed for local-global mutual adaptation. In downstream tasks, OEPG consistently achieves the best performance with a 2\

Proposed method: OEPG

Benchmark Results

Tested on 16 datasets 6 baseline values reported too low

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

Classic

#ModelAccuracy ↑Paper
1
GraphTARIF
0.9703 ±0.0019
2
GAT
0.9669 ±0.0014
3
GAT+T
0.9660 ±0.0007
7
SAGE
0.9643 ±0.0027
52
OEPG
0.9510 ±0.0040
This paper
172
BGRL
actual #172 vs paper #228 56 places worse
0.9337 ±0.0021
best reported
actual #172 vs paper #228 56 places worse
paper 0.9290 ±0.0030
paper 0.9290 ±0.0030 Δ at pub 0.0030 Δ today 0.0047
191
GCA
actual #191 vs paper #279 88 places worse
0.9320 ±0.0060
best reported
actual #191 vs paper #279 88 places worse
paper 0.9250 ±0.0020
paper 0.9250 ±0.0020 Δ at pub 0.0063 Δ today 0.0070
203
GRACE
actual #203 vs paper #237 34 places worse
0.9313 ±0.0017
best reported
actual #203 vs paper #237 34 places worse
paper 0.9280 ±0.0050

Difference within reported uncertainty; not counted as underperformance.

paper 0.9280 ±0.0050 Δ today 0.0033
206
MVGRL
actual #206 vs paper #362 156 places worse
0.9310 ±0.0040
best reported
actual #206 vs paper #362 156 places worse
paper 0.9170 ±0.0010
paper 0.9170 ±0.0010 Δ at pub 0.0004 Δ today 0.0140
211
CCA
0.9310 ±0.0010
This paper
235
GBT
actual #235 vs paper #324 89 places worse
0.9282 ±0.0040
best reported
actual #235 vs paper #324 89 places worse
paper 0.9220 ±0.0040

Difference within reported uncertainty; not counted as underperformance.

paper 0.9220 ±0.0040 Δ today 0.0062
390
MLP
0.9128 ±0.0063
408
GMI
actual #408 vs paper #416 8 places worse
0.9081 ±0.0015
best reported
actual #408 vs paper #416 8 places worse
paper 0.9070 ±0.0020

Difference within reported uncertainty; not counted as underperformance.

paper 0.9070 ±0.0020 Δ today 0.0011
#ModelAccuracy ↑Paper
1
GraphTARIF
0.9461 ±0.0017
2
GCN
0.9412 ±0.0008
3
GAT
0.9398 ±0.0022
8
SAGE
0.9351 ±0.0006
29
OEPG
0.9190 ±0.0050
This paper
79
BGRL
actual #79 vs paper #122 43 places worse
0.9034 ±0.0019
best reported
actual #79 vs paper #122 43 places worse
paper 0.8970 ±0.0030
paper 0.8970 ±0.0030 Δ at pub 0.0060 Δ today 0.0064
160
GCA
actual #160 vs paper #163 3 places worse
0.8894 ±0.0015
best reported
actual #160 vs paper #163 3 places worse
paper 0.8890 ±0.0020

Difference within reported uncertainty; not counted as underperformance.

paper 0.8890 ±0.0020 Δ at pub 0.0004 Δ today 0.0004
165
GBT
actual #165 vs paper #209 44 places worse
0.8885 ±0.0025
best reported
actual #165 vs paper #209 44 places worse
paper 0.8800 ±0.0030
paper 0.8800 ±0.0030 Δ today 0.0085
173
CCA
0.8870 ±0.0030
This paper
179
MVGRL
actual #179 vs paper #235 56 places worse
0.8861 ±0.0064
best reported
actual #179 vs paper #235 56 places worse
paper 0.8750 ±0.0010
320
MLP
0.8463
342
GMI
actual #342 vs paper #398 56 places worse
0.8422 ±0.0052
best reported
actual #342 vs paper #398 56 places worse
paper 0.8220 ±0.0030
paper 0.8220 ±0.0030 Δ at pub 0.0001 Δ today 0.0202
#ModelAccuracy ↑Paper
1
GrokFormer
0.9831 ±0.0018
2
PolyFormer
0.9808 ±0.0027
3
SGFormer
0.9796 ±0.0081
9
GCN
0.9774 ±0.0035
21
OEPG
0.9730 ±0.0010
This paper
58
MLP
0.9597 ±0.0007
63
GCA
actual #63 vs paper #84 21 places worse
0.9590 ±0.0020
best reported
actual #63 vs paper #84 21 places worse
paper 0.9570 ±0.0010

Difference within reported uncertainty; not counted as underperformance.

paper 0.9570 ±0.0010 Δ at pub 0.0003 Δ today 0.0020
69
BGRL
actual #69 vs paper #99 30 places worse
0.9580 ±0.0040
best reported
actual #69 vs paper #99 30 places worse
paper 0.9560 ±0.0010

Difference within reported uncertainty; not counted as underperformance.

paper 0.9560 ±0.0010 Δ at pub 0.0010 Δ today 0.0020
114
MVRL
actual #114 vs paper #136 22 places worse
0.9553 ±0.0010
best reported
actual #114 vs paper #136 22 places worse
paper 0.9530 ±0.0010
129
CCA
0.9540 ±0.0010
This paper
149
GBT
0.9520 ±0.0010
This paper
#ModelAccuracy ↑Paper
1
GCN
0.9302 ±0.0011
2
RSE + RGCN (70b)
0.8852 ±0.0019
3
LEMP+T
0.8825
9
SAGE
0.8771
51
OEPG
0.8330 ±0.0030
This paper
100
BGRL
actual #100 vs paper #114 14 places worse
0.8000 ±0.0010
best reported
actual #100 vs paper #114 14 places worse
paper 0.7940 ±0.0050

Difference within reported uncertainty; not counted as underperformance.

paper 0.7940 ±0.0050 Δ at pub 0.0060 Δ today 0.0060
190
MVGRL
actual #190 vs paper #192 2 places worse
0.7757 ±0.0046
best reported
actual #190 vs paper #192 2 places worse
paper 0.7750 ±0.0010

Difference within reported uncertainty; not counted as underperformance.

paper 0.7750 ±0.0010 Δ at pub 0.0002 Δ today 0.0007
196
GBT
0.7730 ±0.0060
This paper
237
MLP
0.7469 ±0.0085
#ModelAccuracy ↑Paper
1
DoG
0.9690 ±0.0030
2
GWN-fa
0.9667 ±0.0026
3
GWN-sym
0.9666 ±0.0026
6
GraphSAGE
0.9593 ±0.0025
11
OEPG
0.9540 ±0.0010
This paper
51
GCA
actual #51 vs paper #63 12 places worse
0.9332 ±0.0012
best reported
actual #51 vs paper #63 12 places worse
paper 0.9310 ±0.0010
53
BGRL
actual #53 vs paper #59 6 places worse
0.9331 ±0.0013
best reported
actual #53 vs paper #59 6 places worse
paper 0.9320 ±0.0010

Difference within reported uncertainty; not counted as underperformance.

paper 0.9320 ±0.0010 Δ at pub 0.0010 Δ today 0.0011
58
CCA
0.9330 ±0.0020
This paper
74
GBT
actual #74 vs paper #82 8 places worse
0.9295 ±0.0017
best reported
actual #74 vs paper #82 8 places worse
paper 0.9290 ±0.0030

Difference within reported uncertainty; not counted as underperformance.

paper 0.9290 ±0.0030 Δ today 0.0005
88
MLP
0.9280 ±0.0020

TU Dortmund

#ModelAccuracy ↑Paper
1
MSH-GNN
0.9910 ±0.0030
2
ID-GNN+BEC
0.9830 ±0.0360
3
SupCosine
0.9830 ±0.0250
19
OEPG
0.9530 ±0.0060
This paper
39
GIN
0.9330 ±0.0290
70
DGCL
0.9210 ±0.0020
This paper
228
GAE
actual #228 vs paper #350 122 places worse
0.8770 ±0.0070
actual #228 vs paper #350 122 places worse
paper 0.8770 ±0.0070
paper 0.8770 ±0.0070 Δ at pub 0.0370 Δ today 0.0180
403
MLP
0.8660 ±0.0495
#ModelAccuracy ↑Paper
1
WL-MLP
0.9954
2
GIN
0.9934
3
GCN
0.9727
25
OEPG
0.8480 ±0.0040
This paper
131
GraphSAGE
0.8200 ±0.0100
139
DGCL
0.8190 ±0.0020
This paper
301
JOAO
actual #301 vs paper #301
0.7840 ±0.0050
actual #301 vs paper #301
paper 0.7840 ±0.0050

Improvement within reported uncertainty; not highlighted.

paper 0.7840 ±0.0050 Δ at pub 0.0033
440
ADGCL
actual #440 vs paper #489 49 places worse
0.7391 ±0.0077
best reported
actual #440 vs paper #489 49 places worse
paper 0.6970 ±0.0050
paper 0.6970 ±0.0050 Δ today 0.0421
#ModelAccuracy ↑Paper
1
WL-MLP
0.9792
2
MSH-GNN
0.9640 ±0.0070
3
CoCN
0.8722 ±0.0013
8
OEPG
0.8470 ±0.0070
This paper
23
GCN
0.8260 ±0.0220
72
DGCL
0.8120 ±0.0030
This paper
151
MLP
0.7920 ±0.0240
248
JOAO
actual #248 vs paper #306 58 places worse
0.7535 ±0.0093
best reported
actual #248 vs paper #306 58 places worse
paper 0.6930 ±0.0030
paper 0.6930 ±0.0030 Δ at pub 0.0600 Δ today 0.0605
273
ADGCL
0.7330 ±0.0060
This paper
#ModelAccuracy ↑Paper
1
OEPG
0.9630 ±0.0090
This paper
2
MSH-GNN
0.9580 ±0.0090
3
GNN-AK+
0.9480 ±0.0080
11
DGCL
0.9270 ±0.0020
This paper
13
GIN
0.9240 ±0.0250
24
JOAO
actual #24 vs paper #58 34 places worse
0.9166 ±0.0059
best reported
actual #24 vs paper #58 34 places worse
paper 0.8640 ±0.0150
paper 0.8640 ±0.0150 Δ today 0.0526
55
GAE
actual #55 vs paper #56 1 place worse
0.8710 ±0.0010
actual #55 vs paper #56 1 place worse
paper 0.8710 ±0.0010
paper 0.8710 ±0.0010 Δ at pub 0.1230
63
ADGCL
0.8550 ±0.0080
This paper

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
109
GIN
0.7780 ±0.0182
120
OEPG
0.7750 ±0.0170
This paper
264
DGCL
0.7360 ±0.0150
This paper
287
GraphCL
0.7060 ±0.0160
This paper

MoleculeNet

#ModelROC-AUC ↑Paper
1
HIMP
0.8740 ±0.0050
2
GINE w/ VN
0.8720 ±0.0030
3
NaiveGINe+ K=3 w/ VN
0.8700 ±0.0040
14
GCN
0.8400 ±0.0040
31
JOAO
actual #31 vs paper #253 222 places worse
0.8230 ±0.0220
best reported
actual #31 vs paper #253 222 places worse
paper 0.7430 ±0.0060
paper 0.7430 ±0.0060 Δ at pub 0.0070 Δ today 0.0800
47
GraphCL
actual #47 vs paper #208 161 places worse
0.7540 ±0.0090
actual #47 vs paper #208 161 places worse
paper 0.7540 ±0.0090

Improvement within reported uncertainty; not highlighted.

paper 0.7540 ±0.0090 Δ at pub 0.0040 Δ today 0.0510
81
InfoGraph
actual #81 vs paper #201 120 places worse
0.7930
best reported
actual #81 vs paper #201 120 places worse
paper 0.7550 ±0.0060
paper 0.7550 ±0.0060 Δ at pub 0.0380
85
OEPG
0.7920 ±0.0070
This paper
221
GraphPartition
0.7520 ±0.0040
This paper
#ModelROC-AUC ↑Paper
1
ProtoMol
0.9140 ±0.0030
2
MMSG
0.9080 ±0.0050
3
MemGNN
0.9070
43
GIN
0.8646 ±0.0081
72
OEPG
0.8520 ±0.0130
This paper
100
JOAO
actual #100 vs paper #247 147 places worse
0.8340 ±0.0330
best reported
actual #100 vs paper #247 147 places worse
paper 0.7550 ±0.0130
paper 0.7550 ±0.0130 Δ at pub 0.0180 Δ today 0.0790
187
GraphPartition
0.7960 ±0.0180
This paper
204
InfoGraph
actual #204 vs paper #204
0.7890 ±0.0110
actual #204 vs paper #204
paper 0.7890 ±0.0110

Improvement within reported uncertainty; not highlighted.

paper 0.7890 ±0.0110 Δ at pub 0.0500
213
GraphCL
actual #213 vs paper #213
0.7820 ±0.0120
actual #213 vs paper #213
paper 0.7820 ±0.0120
paper 0.7820 ±0.0120 Δ at pub 0.0280
#ModelROC-AUC ↑Paper
1
MAGPrompt+
0.9432 ±0.0238
2
CamS-LLaMA
0.9420
3
SE(3)-I MPPH
0.9400 ±0.0210
34
GIN
0.8875 ±0.0049
36
GraphCL
actual #36 vs paper #166 130 places worse
0.8870 ±0.0190
best reported
actual #36 vs paper #166 130 places worse
paper 0.6950 ±0.0050
paper 0.6950 ±0.0050 Δ at pub 0.0020 Δ today 0.1920
39
JOAO
actual #39 vs paper #117 78 places worse
0.7140 ±0.0090
actual #39 vs paper #117 78 places worse
paper 0.7140 ±0.0090

Improvement within reported uncertainty; not highlighted.

paper 0.7140 ±0.0090 Δ at pub 0.0120 Δ today 0.1650
66
OEPG
0.7570 ±0.0060
This paper
137
GraphPartition
0.7030 ±0.0070
This paper
173
InfoGraph
actual #173 vs paper #196 23 places worse
0.6920 ±0.0080
best reported
actual #173 vs paper #196 23 places worse
paper 0.6820 ±0.0070

Difference within reported uncertainty; not counted as underperformance.

paper 0.6820 ±0.0070 Δ at pub 0.0100 Δ today 0.0100
#ModelROC-AUC ↑Paper
1
SE(3)-I MPPH
0.9930 ±0.0040
2
KA-GCN
0.9920 ±0.0050
3
KA-GAT
0.9910 ±0.0050
19
GCN
0.9130 ±0.0170
59
OEPG
0.8450 ±0.0170
This paper
79
JOAO
actual #79 vs paper #79
0.8132 ±0.0249
best reported
actual #79 vs paper #79
paper 0.8100 ±0.0160

Difference within reported uncertainty; not counted as underperformance.

paper 0.8100 ±0.0160 Δ at pub 0.0030 Δ today 0.0032
97
GraphCL
actual #97 vs paper #171 74 places worse
0.7890 ±0.0420
best reported
actual #97 vs paper #171 74 places worse
paper 0.7010 ±0.0190
paper 0.7010 ±0.0190 Δ at pub 0.0880 Δ today 0.0880
106
InfoGraph
actual #106 vs paper #170 64 places worse
0.7810
best reported
actual #106 vs paper #170 64 places worse
paper 0.7050 ±0.0180
paper 0.7050 ±0.0180 Δ at pub 0.0760
207
GraphPartition
0.6420 ±0.0050
This paper
#ModelROC-AUC ↑Paper
1
KA-GAT
0.8470 ±0.0020
2
KA-GCN
0.8420 ±0.0010
3
GraphKAN
0.8370 ±0.0010
63
OEPG
0.6410 ±0.0090
This paper
66
GIN
0.6403 ±0.0104
68
JOAO
actual #68 vs paper #162 94 places worse
0.6400 ±0.0100
best reported
actual #68 vs paper #162 94 places worse
paper 0.6050 ±0.0070
paper 0.6050 ±0.0070 Δ at pub 0.0020 Δ today 0.0350
114
GraphCL
actual #114 vs paper #145 31 places worse
0.6080 ±0.0070
actual #114 vs paper #145 31 places worse
paper 0.6080 ±0.0070

Improvement within reported uncertainty; not highlighted.

paper 0.6080 ±0.0070 Δ at pub 0.0027
142
GraphPartition
0.6100 ±0.0080
This paper
162
InfoGraph
actual #162 vs paper #195 33 places worse
0.5940 ±0.0100
actual #162 vs paper #195 33 places worse
paper 0.5940 ±0.0100

Improvement within reported uncertainty; not highlighted.

paper 0.5940 ±0.0100 Δ at pub 0.0020
#ModelROC-AUC ↑Paper
1
GeomGCL
0.7630
2
LiGhT DeepGPT
0.7570 ±0.0110
3
CoMPT
0.7550
14
GCN
0.7350 ±0.0020
31
JOAO
actual #31 vs paper #154 123 places worse
0.6320 ±0.0050
actual #31 vs paper #154 123 places worse
paper 0.6320 ±0.0050

Improvement within reported uncertainty; not highlighted.

paper 0.6320 ±0.0050 Δ at pub 0.0030 Δ today 0.0790
35
InfoGraph
actual #35 vs paper #159 124 places worse
0.7050
best reported
actual #35 vs paper #159 124 places worse
paper 0.6310 ±0.0030
paper 0.6310 ±0.0030 Δ at pub 0.0740
42
GraphCL
actual #42 vs paper #134 92 places worse
0.6380 ±0.0040
actual #42 vs paper #134 92 places worse
paper 0.6380 ±0.0040
86
OEPG
0.6620 ±0.0040
This paper
156
GraphPartition
0.6320 ±0.0030
This paper
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