AAAI 2023

Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns

Yifei Sun, Qi Zhu, Yang Yang, Chunping Wang, Tianyu Fan, Jiajun Zhu, Lei Chen

Main figure for Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns

Abstract

Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between pre-training and downstream datasets, which, however, does not hold in many real-world scenarios. Existing works have shown that the structural divergence between pre-training and downstream graphs significantly limits the transferability when using the vanilla fine-tuning strategy. This divergence leads to model overfitting on pre-training graphs and causes difficulties in capturing the structural properties of the downstream graphs. In this paper, we identify the fundamental cause of structural divergence as the discrepancy of generative patterns between the pre-training and downstream graphs. Furthermore, we propose G-Tuning to preserve the generative patterns of downstream graphs. Given a downstream graph $G$, the core idea is to tune the pre-trained GNN so that it can reconstruct the generative patterns of $G$, the graphon $W$. However, the exact reconstruction of a graphon is known to be computationally expensive. To overcome this challenge, we provide a theoretical analysis that establishes the existence of a set of alternative graphons called graphon bases for any given graphon. By utilizing a linear combination of these graphon bases, we can efficiently approximate $W$. This theoretical finding forms the basis of our proposed model, as it enables effective learning of the graphon bases and their associated coefficients. Compared with existing algorithms, G-Tuning demonstrates an average improvement of 0.5\

Benchmark Results

Tested on 9 datasets 5 baseline values reported too low

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

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
39
GIN
0.9330 ±0.0290
364
GTOT-tuning
0.8750 ±0.0694
This paper
403
MLP
0.8660 ±0.0495
416
G-Tuning
0.8614 ±0.0550
This paper
466
BSS
0.8456 ±0.0552
This paper
511
Vanilla tuning
0.8345 ±0.0571
This paper
523
L2_SP
0.8298 ±0.0391
This paper
524
DELTA
0.8298 ±0.0612
This paper
525
Feature Map
0.8295 ±0.0780
This paper
532
Supervised
0.8289 ±0.0616
This paper
555
StochNorm
0.8240 ±0.0795
This paper
609
VGAE-Tuning
0.8035 ±0.0616
This paper
#ModelAccuracy ↑Paper
1
MSH-GNN
0.9410 ±0.0330
2
GRDL
0.8260 ±0.0120
3
GMN
0.8225
32
GIN
0.7880 ±0.0410
149
MLP
0.7600 ±0.0320
407
G-Tuning
0.7205 ±0.0380
This paper
473
VGAE-Tuning
0.6734 ±0.0352
This paper
479
L2_SP
0.6595 ±0.0457
This paper
483
BSS
0.6558 ±0.0679
This paper
487
Vanilla tuning
0.6442 ±0.0491
This paper
489
StochNorm
0.6408 ±0.0361
This paper
490
DELTA
0.6396 ±0.0535
This paper
492
Supervised
0.6351 ±0.0360
This paper
494
Feature Map
0.6306 ±0.0480
This paper
496
GTOT-tuning
0.6289 ±0.0388
This paper
#ModelAccuracy ↑Paper
1
GMN
0.7866
2
MemGNN
0.7550
3
TFGW SP
0.7510 ±0.0500
17
GatedGCN
0.7000 ±0.0494
26
GraphSAGE
0.6817 ±0.0545
124
MLP
0.5583 ±0.0352
249
G-Tuning
0.2670 ±0.0428
This paper
260
BSS
0.2341 ±0.0479
This paper
262
StochNorm
0.2333 ±0.0425
This paper
270
Feature Map
0.2267 ±0.0478
This paper
276
DELTA
0.2233 ±0.0501
This paper
285
L2_SP
0.2150 ±0.0450
This paper
286
Vanilla tuning
0.2133 ±0.0562
This paper
290
GTOT-tuning
0.2067 ±0.0549
This paper
291
Supervised
actual #291 vs paper #292 1 place worse
0.2058 ±0.0200
best reported
actual #291 vs paper #292 1 place worse
paper 0.2050 ±0.0402
best today: ProG: A Graph Prompt Learning Benchmark (NeurIPS 2024)

Difference within reported uncertainty; not counted as underperformance.

paper 0.2050 ±0.0402 Δ today 0.0008
298
VGAE-Tuning
0.1933 ±0.0761
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
40
Supervised
actual #40 vs paper #263 223 places worse
0.8113 ±0.0239
best reported
actual #40 vs paper #263 223 places worse
paper 0.7402 ±0.0089
paper 0.7402 ±0.0089 Δ at pub 0.0711
191
G-Tuning
0.7580 ±0.0029
This paper
193
VGAE-Tuning
0.7579 ±0.0041
This paper
210
Vanilla tuning
0.7539 ±0.0094
This paper
219
DELTA
0.7522 ±0.0054
This paper
224
GTOT-tuning
0.7520 ±0.0094
This paper
231
BSS
0.7501 ±0.0071
This paper
233
StochNorm
0.7497 ±0.0077
This paper
273
L2_SP
0.7355 ±0.0082
This paper
300
Feature Map
0.7058 ±0.0028
This paper
#ModelROC-AUC ↑Paper
1
ProtoMol
0.9140 ±0.0030
2
MMSG
0.9080 ±0.0050
3
MemGNN
0.9070
33
Supervised
actual #33 vs paper #280 247 places worse
0.8691 ±0.0186
best reported
actual #33 vs paper #280 247 places worse
paper 0.7013 ±0.0541
paper 0.7013 ±0.0541 Δ at pub 0.1678
43
GIN
0.8646 ±0.0081
77
G-Tuning
0.8479 ±0.0139
This paper
120
GTOT-tuning
0.8248 ±0.0218
This paper
119
BSS
0.8248 ±0.0210
This paper
128
L2_SP
0.8221 ±0.0244
This paper
135
DELTA
0.8183 ±0.0117
This paper
139
StochNorm
0.8148 ±0.0210
This paper
195
Vanilla tuning
0.7922 ±0.0120
This paper
222
VGAE-Tuning
0.7783 ±0.0064
This paper
240
Feature Map
0.7632 ±0.0115
This paper
#ModelROC-AUC ↑Paper
1
MAGPrompt+
0.9432 ±0.0238
2
CamS-LLaMA
0.9420
3
SE(3)-I MPPH
0.9400 ±0.0210
23
Supervised
actual #23 vs paper #256 233 places worse
0.9165 ±0.0211
best reported
actual #23 vs paper #256 233 places worse
paper 0.6584 ±0.0451
paper 0.6584 ±0.0451 Δ at pub 0.2581
34
GIN
0.8875 ±0.0049
90
G-Tuning
0.7259 ±0.0032
This paper
109
VGAE-Tuning
0.7169 ±0.0051
This paper
148
GTOT-tuning
0.7004 ±0.0148
This paper
172
StochNorm
0.6927 ±0.0167
This paper
181
Vanilla tuning
0.6899 ±0.0313
This paper
201
BSS
0.6802 ±0.0276
This paper
208
DELTA
0.6779 ±0.0076
This paper
213
L2_SP
0.6770 ±0.0321
This paper
300
Feature Map
0.6042 ±0.0078
This paper
#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
135
G-Tuning
0.7464 ±0.0430
This paper
158
DELTA
0.7211 ±0.0306
This paper
163
GTOT-tuning
0.7177 ±0.0538
This paper
170
BSS
0.7075 ±0.0498
This paper
183
VGAE-Tuning
0.6863 ±0.0130
This paper
186
L2_SP
0.6812 ±0.0377
This paper
197
Vanilla tuning
0.6592 ±0.0378
This paper
198
StochNorm
0.6553 ±0.0425
This paper
208
Feature Map
0.6405 ±0.0340
This paper
231
Supervised
0.5806 ±0.0442
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
44
Supervised
actual #44 vs paper #223 179 places worse
0.6534 ±0.0017
best reported
actual #44 vs paper #223 179 places worse
paper 0.5729 ±0.0165
paper 0.5729 ±0.0165 Δ at pub 0.0805
66
GIN
0.6403 ±0.0104
84
GTOT-tuning
0.6304 ±0.0050
This paper
119
Feature Map
0.6166 ±0.0045
This paper
127
DELTA
0.6143 ±0.0068
This paper
129
G-Tuning
0.6140 ±0.0071
This paper
131
VGAE-Tuning
0.6133 ±0.0028
This paper
141
L2_SP
0.6108 ±0.0073
This paper
174
StochNorm
0.6035 ±0.0098
This paper
192
Vanilla tuning
0.5971 ±0.0108
This paper
194
BSS
0.5960 ±0.0092
This paper
#ModelROC-AUC ↑Paper
1
GeomGCL
0.7630
2
LiGhT DeepGPT
0.7570 ±0.0110
3
CoMPT
0.7550
14
GCN
0.7350 ±0.0020
24
Supervised
actual #24 vs paper #189 165 places worse
0.7164 ±0.0046
best reported
actual #24 vs paper #189 165 places worse
paper 0.6145 ±0.0064
paper 0.6145 ±0.0064 Δ at pub 0.1019
123
G-Tuning
0.6425 ±0.0027
This paper
131
VGAE-Tuning
0.6393 ±0.0038
This paper
147
DELTA
0.6334 ±0.0058
This paper
149
Vanilla tuning
0.6333 ±0.0074
This paper
159
BSS
0.6311 ±0.0049
This paper
167
GTOT-tuning
0.6289 ±0.0046
This paper
171
StochNorm
0.6269 ±0.0069
This paper
178
L2_SP
0.6243 ±0.0034
This paper
188
Feature Map
0.6150 ±0.0024
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)