Augmentation-Free Graph Contrastive Learning with Performance Guarantee

Haonan Wang, Jieyu Zhang, Qi Zhu, Wei Huang

Main figure for Augmentation-Free Graph Contrastive Learning with Performance Guarantee

Abstract

Graph contrastive learning (GCL) is the most representative and prevalent self-supervised learning approach for graph-structured data. Despite its remarkable success, existing GCL methods highly rely on an augmentation scheme to learn the representations invariant across different augmentation views. In this work, we revisit such a convention in GCL through examining the effect of augmentation techniques on graph data via the lens of spectral theory. We found that graph augmentations preserve the low-frequency components and perturb the middle- and high-frequency components of the graph, which contributes to the success of GCL algorithms on homophilic graphs but hinder its application on heterophilic graphs, due to the high-frequency preference of heterophilic data. Motivated by this, we propose a novel, theoretically-principled, and augmentation-free GCL method, named AF-GCL, that (1) leverages the features aggregated by Graph Neural Network to construct the self-supervision signal instead of augmentations and therefore (2) is less sensitive to the graph homophily degree. Theoretically, We present the performance guarantee for AF-GCL\ as well as an analysis for understanding the efficacy of AF-GCL. Extensive experiments on 14 benchmark datasets with varying degrees of heterophily show that AF-GCL\ presents competitive or better performance on homophilic graphs and outperforms all existing state-of-the-art GCL methods on heterophilic graphs with significantly less computational overhead.

Proposed method: AF-GCL

Benchmark Results

Tested on 8 datasets 25 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 #572 551 places worse
0.9004
best reported
actual #21 vs paper #572 551 places worse
paper 0.8154 ±0.0068
paper 0.8154 ±0.0068 Δ at pub 0.0563 Δ today 0.0850
39
SAGE
0.8911 ±0.0012
130
BGRL
actual #130 vs paper #578 448 places worse
0.8730 ±0.0010
best reported
actual #130 vs paper #578 448 places worse
paper 0.8144 ±0.0072
paper 0.8144 ±0.0072 Δ today 0.0586
134
GRACE
actual #134 vs paper #536 402 places worse
0.8720 ±0.0020
best reported
actual #134 vs paper #536 402 places worse
paper 0.8192 ±0.0089
156
MVGRL
actual #156 vs paper #379 223 places worse
0.8680 ±0.0050
best reported
actual #156 vs paper #379 223 places worse
paper 0.8345 ±0.0068
177
DGI
actual #177 vs paper #485 308 places worse
0.8630 ±0.0020
best reported
actual #177 vs paper #485 308 places worse
paper 0.8234 ±0.0071
218
GMI
actual #218 vs paper #481 263 places worse
0.8526 ±0.0008
best reported
actual #218 vs paper #481 263 places worse
paper 0.8239 ±0.0065
414
AF-GCL
0.8316 ±0.0013
This paper
415
GCA
actual #415 vs paper #523 108 places worse
0.8207 ±0.0010
actual #415 vs paper #523 108 places worse
paper 0.8207 ±0.0010
paper 0.8207 ±0.0010 Δ at pub 0.0385 Δ today 0.0103
435
DeepWalk
actual #435 vs paper #814 379 places worse
0.8290
best reported
actual #435 vs paper #814 379 places worse
paper 0.7072 ±0.0063
paper 0.7072 ±0.0063 Δ at pub 0.1218
630
VGAE
actual #630 vs paper #733 103 places worse
0.8059 ±0.0035
best reported
actual #630 vs paper #733 103 places worse
paper 0.7731 ±0.0102
paper 0.7731 ±0.0102 Δ today 0.0328
654
GAE
actual #654 vs paper #810 156 places worse
0.8011 ±0.0022
best reported
actual #654 vs paper #810 156 places worse
paper 0.7149 ±0.0041
paper 0.7149 ±0.0041 Δ at pub 0.0862
724
MLP
actual #724 vs paper #904 180 places worse
0.7768
best reported
actual #724 vs paper #904 180 places worse
paper 0.4792 ±0.0041
paper 0.4792 ±0.0041 Δ at pub 0.2622 Δ today 0.2976
812
Node2cec
0.7108 ±0.0091
This paper
#ModelAccuracy ↑Paper
1
CNA
0.9575 ±0.0058
2
IS-GIB
0.9390 ±0.0187
3
EERM
0.9112 ±0.0145
44
GCN
actual #44 vs paper #576 532 places worse
0.8033 ±0.0088
best reported
actual #44 vs paper #576 532 places worse
paper 0.7073 ±0.0065
paper 0.7073 ±0.0065 Δ at pub 0.0870 Δ today 0.0960
61
GraphSAGE
0.7923 ±0.0053
66
DGI
actual #66 vs paper #474 408 places worse
0.7890 ±0.0020
best reported
actual #66 vs paper #474 408 places worse
paper 0.7183 ±0.0054
73
GMI
actual #73 vs paper #479 406 places worse
0.7869 ±0.0016
best reported
actual #73 vs paper #479 406 places worse
paper 0.7172 ±0.0015
87
MVGRL
actual #87 vs paper #296 209 places worse
0.7808 ±0.0006
best reported
actual #87 vs paper #296 209 places worse
paper 0.7328 ±0.0048
136
BGRL
actual #136 vs paper #474 338 places worse
0.7600 ±0.0020
best reported
actual #136 vs paper #474 338 places worse
paper 0.7182 ±0.0048
paper 0.7182 ±0.0048 Δ today 0.0418
201
GRACE
actual #201 vs paper #538 337 places worse
0.7450 ±0.0010
best reported
actual #201 vs paper #538 337 places worse
paper 0.7121 ±0.0064
350
MLP
actual #350 vs paper #867 517 places worse
0.7289 ±0.0010
best reported
actual #350 vs paper #867 517 places worse
paper 0.4931 ±0.0026
paper 0.4931 ±0.0026 Δ at pub 0.2027 Δ today 0.2358
461
AF-GCL
0.7196 ±0.0042
This paper
505
GCA
actual #505 vs paper #528 23 places worse
0.7133 ±0.0037
actual #505 vs paper #528 23 places worse
paper 0.7133 ±0.0037
paper 0.7133 ±0.0037 Δ at pub 0.0381
625
VGAE
actual #625 vs paper #703 78 places worse
0.6990 ±0.0057
best reported
actual #625 vs paper #703 78 places worse
paper 0.6741 ±0.0024
paper 0.6741 ±0.0024 Δ today 0.0249
692
DeepWalk
actual #692 vs paper #864 172 places worse
0.6785 ±0.0079
best reported
actual #692 vs paper #864 172 places worse
paper 0.5139 ±0.0041
739
GAE
actual #739 vs paper #757 18 places worse
0.6583 ±0.0040
actual #739 vs paper #757 18 places worse
paper 0.6583 ±0.0040

Improvement within reported uncertainty; not highlighted.

paper 0.6583 ±0.0040 Δ at pub 0.0008
766
Node2Vec
actual #766 vs paper #870 104 places worse
0.6552 ±0.0018
best reported
actual #766 vs paper #870 104 places worse
paper 0.4734 ±0.0084
#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 #571 553 places worse
0.9296 ±0.0015
best reported
actual #18 vs paper #571 553 places worse
paper 0.7916 ±0.0025
116
SAGE
0.8881 ±0.0015
144
BGRL
actual #144 vs paper #436 292 places worse
0.8830 ±0.0010
best reported
actual #144 vs paper #436 292 places worse
paper 0.8018 ±0.0063
paper 0.8018 ±0.0063 Δ today 0.0812
194
GRACE
actual #194 vs paper #402 208 places worse
0.8054 ±0.0036
actual #194 vs paper #402 208 places worse
paper 0.8054 ±0.0036
195
GMI
actual #195 vs paper #541 346 places worse
0.8726 ±0.0016
best reported
actual #195 vs paper #541 346 places worse
paper 0.7934 ±0.0104
196
MVGRL
actual #196 vs paper #444 248 places worse
0.8725 ±0.0012
best reported
actual #196 vs paper #444 248 places worse
paper 0.8009 ±0.0062
204
DGI
actual #204 vs paper #747 543 places worse
0.8708 ±0.0017
best reported
actual #204 vs paper #747 543 places worse
paper 0.7678 ±0.0031
210
MLP
actual #210 vs paper #844 634 places worse
0.8690 ±0.0074
best reported
actual #210 vs paper #844 634 places worse
paper 0.6914 ±0.0034
paper 0.6914 ±0.0034 Δ at pub 0.1724 Δ today 0.1776
223
DeepWalk
actual #223 vs paper #814 591 places worse
0.8652 ±0.0012
best reported
actual #223 vs paper #814 591 places worse
paper 0.7327 ±0.0086
255
GCA
actual #255 vs paper #428 173 places worse
0.8512 ±0.0023
best reported
actual #255 vs paper #428 173 places worse
paper 0.8021 ±0.0039
paper 0.8021 ±0.0039 Δ at pub 0.0107 Δ today 0.0491
299
VGAE
actual #299 vs paper #775 476 places worse
0.8307 ±0.0029
best reported
actual #299 vs paper #775 476 places worse
paper 0.7585 ±0.0062
paper 0.7585 ±0.0062 Δ today 0.0722
304
GAE
actual #304 vs paper #822 518 places worse
0.8294 ±0.0031
best reported
actual #304 vs paper #822 518 places worse
paper 0.7223 ±0.0071
paper 0.7223 ±0.0071 Δ at pub 0.0527 Δ today 0.1071
346
AF-GCL
actual #346 vs paper #583 237 places worse
0.8150 ±0.0070
best reported
actual #346 vs paper #583 237 places worse
paper 0.7905 ±0.0075
paper 0.7905 ±0.0075 Δ today 0.0245
859
Node2cec
0.6623 ±0.0095
This paper
#ModelAccuracy ↑Paper
1
GCN
actual #1 vs paper #1
0.9302 ±0.0011
actual #1 vs paper #1
paper 0.9302 ±0.0011
paper 0.9302 ±0.0011 Δ at pub 0.1582
2
RSE + RGCN (70b)
0.8852 ±0.0019
3
LEMP+T
0.8825
9
SAGE
0.8771
94
GRACE
actual #94 vs paper #171 77 places worse
0.8014 ±0.0048
best reported
actual #94 vs paper #171 77 places worse
paper 0.7819 ±0.0010
paper 0.7819 ±0.0010 Δ at pub 0.0195 Δ today 0.0195
100
BGRL
actual #100 vs paper #207 107 places worse
0.8000 ±0.0010
best reported
actual #100 vs paper #207 107 places worse
paper 0.7696 ±0.0061
paper 0.7696 ±0.0061 Δ at pub 0.0304 Δ today 0.0304
133
AF-GCL
0.7901 ±0.0051
This paper
151
DGI
actual #151 vs paper #228 77 places worse
0.7865 ±0.0690
best reported
actual #151 vs paper #228 77 places worse
paper 0.7537 ±0.0013

Difference within reported uncertainty; not counted as underperformance.

paper 0.7537 ±0.0013 Δ at pub 0.0003 Δ today 0.0328
162
GCA
0.7840 ±0.0013
This paper
181
GAE
actual #181 vs paper #243 62 places worse
0.7397 ±0.0016
actual #181 vs paper #243 62 places worse
paper 0.7397 ±0.0016
paper 0.7397 ±0.0016 Δ at pub 0.0377 Δ today 0.0390
180
VGAE
actual #180 vs paper #224 44 places worse
0.7787 ±0.0053
best reported
actual #180 vs paper #224 44 places worse
paper 0.7556 ±0.0028
paper 0.7556 ±0.0028 Δ at pub 0.0007 Δ today 0.0231
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 0.7751 ±0.0006

Difference within reported uncertainty; not counted as underperformance.

paper 0.7751 ±0.0006 Δ at pub 0.0001 Δ today 0.0006
198
DeepWalk
actual #198 vs paper #238 40 places worse
0.7721
best reported
actual #198 vs paper #238 40 places worse
paper 0.7442 ±0.0013
paper 0.7442 ±0.0013 Δ at pub 0.0279
234
GMI
actual #234 vs paper #234
0.7490 ±0.0010
best reported
actual #234 vs paper #234
paper 0.7487 ±0.0013

Difference within reported uncertainty; not counted as underperformance.

paper 0.7487 ±0.0013 Δ at pub 0.0003
237
MLP
actual #237 vs paper #252 15 places worse
0.7469 ±0.0085
best reported
actual #237 vs paper #252 15 places worse
paper 0.7198 ±0.0042
paper 0.7198 ±0.0042 Δ today 0.0271
260
Node2cec
0.7176 ±0.0014
This paper

Heterophilic Graphs

#ModelAccuracy ↑Paper
1
DiGGR
0.4535 ±0.0353
2
TRIGON
0.4402 ±0.0028
3
DoG
0.4320 ±0.0120
42
MLP
actual #42 vs paper #190 148 places worse
0.4026 ±0.0108
best reported
actual #42 vs paper #190 148 places worse
paper 0.3593 ±0.0061
paper 0.3593 ±0.0061 Δ at pub 0.0425 Δ today 0.0433
68
GraphSAGE
0.3899 ±0.0085
135
GCN
actual #135 vs paper #378 243 places worse
0.3690
best reported
actual #135 vs paper #378 243 places worse
paper 0.2879 ±0.0023
paper 0.2879 ±0.0023 Δ at pub 0.0811
247
MVGRL
actual #247 vs paper #299 52 places worse
0.3464 ±0.0020
best reported
actual #247 vs paper #299 52 places worse
paper 0.3209 ±0.0107
paper 0.3209 ±0.0107 Δ today 0.0255
251
GRACE
actual #251 vs paper #390 139 places worse
0.3450 ±0.0110
best reported
actual #251 vs paper #390 139 places worse
paper 0.2827 ±0.0043
paper 0.2827 ±0.0043 Δ today 0.0623
309
VGAE
actual #309 vs paper #385 76 places worse
0.3157 ±0.0075
best reported
actual #309 vs paper #385 76 places worse
paper 0.2843 ±0.0057
paper 0.2843 ±0.0057 Δ today 0.0314
335
DGI
actual #335 vs paper #389 54 places worse
0.2830 ±0.0076
actual #335 vs paper #389 54 places worse
paper 0.2830 ±0.0076

Improvement within reported uncertainty; not highlighted.

paper 0.2830 ±0.0076 Δ at pub 0.0110 Δ today 0.0237
356
BGRL
actual #356 vs paper #377 21 places worse
0.2986
best reported
actual #356 vs paper #377 21 places worse
paper 0.2880 ±0.0054
361
GCA
actual #361 vs paper #376 15 places worse
0.2965
best reported
actual #361 vs paper #376 15 places worse
paper 0.2889 ±0.0050

Difference within reported uncertainty; not counted as underperformance.

paper 0.2889 ±0.0050 Δ today 0.0076
375
AF-GCL
0.2894 ±0.0069
This paper
383
GAE
actual #383 vs paper #429 46 places worse
0.2863 ±0.0105
best reported
actual #383 vs paper #429 46 places worse
paper 0.2536 ±0.0023
paper 0.2536 ±0.0023 Δ today 0.0327
399
GMI
actual #399 vs paper #409 10 places worse
0.2728 ±0.0087
actual #399 vs paper #409 10 places worse
paper 0.2728 ±0.0087

Improvement within reported uncertainty; not highlighted.

paper 0.2728 ±0.0087 Δ at pub 0.0110
411
Node2cec
0.2704 ±0.0056
This paper
424
DeepWalk
0.2550 ±0.0028
This paper
#ModelAccuracy ↑Paper
1
Hetero-S (GAT 8-layer)
0.8693
2
Dir-GNN+CNA
0.8586 ±0.0180
3
GAT
0.8560
34
MVGRL
actual #34 vs paper #172 138 places worse
0.7319 ±0.0042
best reported
actual #34 vs paper #172 138 places worse
paper 0.5381 ±0.0109
paper 0.5381 ±0.0109 Δ today 0.1938
52
GCN
actual #52 vs paper #80 28 places worse
0.7033
best reported
actual #52 vs paper #80 28 places worse
paper 0.6645 ±0.0048
paper 0.6645 ±0.0048 Δ at pub 0.0115 Δ today 0.0388
89
AF-GCL
0.6528 ±0.0053
This paper
95
BGRL
0.6486 ±0.0063
This paper
105
GCA
actual #105 vs paper #123 18 places worse
0.6366 ±0.0032
best reported
actual #105 vs paper #123 18 places worse
paper 0.6094 ±0.0081
paper 0.6094 ±0.0081 Δ today 0.0272
108
SAGE
0.6340 ±0.0300
114
VGAE
actual #114 vs paper #242 128 places worse
0.6232 ±0.0190
best reported
actual #114 vs paper #242 128 places worse
paper 0.4265 ±0.0127
paper 0.4265 ±0.0127 Δ today 0.1967
119
GRACE
0.6124 ±0.0053
This paper
134
DGI
0.6027 ±0.0070
This paper
169
MLP
actual #169 vs paper #211 42 places worse
0.5429
best reported
actual #169 vs paper #211 42 places worse
paper 0.4759 ±0.0073
paper 0.4759 ±0.0073 Δ at pub 0.0061 Δ today 0.0670
175
GMI
0.5281 ±0.0063
This paper
209
DeepWalk
actual #209 vs paper #229 20 places worse
0.4774 ±0.0205
best reported
actual #209 vs paper #229 20 places worse
paper 0.4399 ±0.0067
259
GAE
0.3913 ±0.0134
This paper
272
Node2cec
0.3149 ±0.0117
This paper
#ModelAccuracy ↑Paper
1
IBG-NN
0.7763 ±0.0179
2
Dir-GNN+CNA
0.7747 ±0.0128
3
DHGNN
0.7684 ±0.0161
46
GCN
actual #46 vs paper #78 32 places worse
0.6067
best reported
actual #46 vs paper #78 32 places worse
paper 0.5303 ±0.0057
paper 0.5303 ±0.0057 Δ at pub 0.0187 Δ today 0.0764
50
MVGRL
actual #50 vs paper #177 127 places worse
0.6009 ±0.0044
best reported
actual #50 vs paper #177 127 places worse
paper 0.3875 ±0.0132
paper 0.3875 ±0.0132 Δ today 0.2134
83
AF-GCL
0.5210 ±0.0067
This paper
98
GCA
actual #98 vs paper #150 52 places worse
0.4809 ±0.0021
best reported
actual #98 vs paper #150 52 places worse
paper 0.4153 ±0.0109
paper 0.4153 ±0.0109 Δ today 0.0656
108
BGRL
0.4624 ±0.0070
This paper
120
SAGE
0.4460 ±0.0130
141
VGAE
actual #141 vs paper #217 76 places worse
0.4250 ±0.0135
best reported
actual #141 vs paper #217 76 places worse
paper 0.3511 ±0.0092
paper 0.3511 ±0.0092 Δ today 0.0739
144
DGI
0.4222 ±0.0063
This paper
154
GRACE
0.4109 ±0.0085
This paper
172
MLP
actual #172 vs paper #235 63 places worse
0.3930 ±0.0079
best reported
actual #172 vs paper #235 63 places worse
paper 0.3167 ±0.0061
paper 0.3167 ±0.0061 Δ at pub 0.0168 Δ today 0.0763
193
DeepWalk
actual #193 vs paper #239 46 places worse
0.3754 ±0.0219
best reported
actual #193 vs paper #239 46 places worse
paper 0.3090 ±0.0109
paper 0.3090 ±0.0109 Δ today 0.0664
216
GMI
0.3525 ±0.0121
This paper
225
GAE
0.3465 ±0.0081
This paper
251
Node2cec
0.2764 ±0.0136
This paper

LINKX Benchmarks

#ModelAccuracy ↑Paper
1
DGT
0.6609 ±0.0022
2
ICG_u-NN
0.6608 ±0.0074
3
LINKX
0.6606 ±0.0019
14
GraphSAGE
0.6473 ±0.0011
16
GCN
actual #16 vs paper #26 10 places worse
0.6274 ±0.0003
actual #16 vs paper #26 10 places worse
paper 0.6274 ±0.0003
best today: Deformable Graph Transformer (2022)
paper 0.6274 ±0.0003 Δ at pub 0.0056 Δ today 0.0160
29
AF-GCL
0.6204 ±0.0017
This paper
31
DeepWalk
0.6171 ±0.0041
This paper
32
DGI
0.6147 ±0.0056
This paper
33
MLP
actual #33 vs paper #38 5 places worse
0.6114 ±0.0006
best reported
actual #33 vs paper #38 5 places worse
paper 0.6071 ±0.0018
best today: Deformable Graph Transformer (2022)
paper 0.6071 ±0.0018 Δ at pub 0.0021 Δ today 0.0043
34
Node2cec
0.6112 ±0.0029
This paper
37
BGRL
0.6093 ±0.0032
This paper
39
VGAE
0.6070 ±0.0061
This paper
47
GAE
0.5626 ±0.0050
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