GraphCrop: Subgraph Cropping for Graph Classification

Yiwei Wang, Wei Wang, Yuxuan Liang, Yujun Cai, Bryan Hooi

Main figure for GraphCrop: Subgraph Cropping for Graph Classification

Abstract

We present a new method to regularize graph neural networks (GNNs) for better generalization in graph classification. Observing that the omission of sub-structures does not necessarily change the class label of the whole graph, we develop the GraphCrop (Subgraph Cropping) data augmentation method to simulate the real-world noise of sub-structure omission. In principle, GraphCrop utilizes a node-centric strategy to crop a contiguous subgraph from the original graph while maintaining its connectivity. By preserving the valid structure contexts for graph classification, we encourage GNNs to understand the content of graph structures in a global sense, rather than rely on a few key nodes or edges, which may not always be present. GraphCrop is parameter learning free and easy to implement within existing GNN-based graph classifiers. Qualitatively, GraphCrop expands the existing training set by generating novel and informative augmented graphs, which retain the original graph labels in most cases. Quantitatively, GraphCrop yields significant and consistent gains on multiple standard datasets, and thus enhances the popular GNNs to outperform the baseline methods.

Benchmark Results

Tested on 5 datasets 8 baseline values reported too low

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

TU Dortmund

#ModelAccuracy ↑Paper
1
WL-MLP
0.9954
2
GIN
actual #2 vs paper #239 237 places worse
0.9934
best reported
actual #2 vs paper #239 237 places worse
paper 0.7970 ±0.0180
best at pub: Provably Powerful Graph Networks (NeurIPS 2019)
paper 0.7970 ±0.0180 Δ at pub 0.0300 Δ today 0.1964
3
GCN
actual #3 vs paper #367 364 places worse
0.9727
best reported
actual #3 vs paper #367 364 places worse
paper 0.7680 ±0.0210
paper 0.7680 ±0.0210 Δ at pub 0.0340 Δ today 0.2047
5
DiffPool
actual #5 vs paper #367 362 places worse
0.9210 ±0.0260
best reported
actual #5 vs paper #367 362 places worse
paper 0.7680 ±0.0200
paper 0.7680 ±0.0200 Δ at pub 0.0093 Δ today 0.1530
12
WL
actual #12 vs paper #382 370 places worse
0.8590 ±0.0010
best reported
actual #12 vs paper #382 370 places worse
paper 0.7630 ±0.0190
best at pub: Propagation Kernels (2014)
paper 0.7630 ±0.0190 Δ at pub 0.0960
131
GraphSAGE
0.8200 ±0.0100
244
GraphCrop + EigenPool
0.7960 ±0.0200
This paper
278
EigenPool
actual #278 vs paper #278
0.7870 ±0.0190
actual #278 vs paper #278
paper 0.7870 ±0.0190

Improvement within reported uncertainty; not highlighted.

paper 0.7870 ±0.0190 Δ at pub 0.0146
347
GraphCrop + GCN
0.7730 ±0.0210
This paper
373
DGCNN
actual #373 vs paper #373
0.7650 ±0.0190
actual #373 vs paper #373
paper 0.7650 ±0.0190

Improvement within reported uncertainty; not highlighted.

paper 0.7650 ±0.0190 Δ at pub 0.0206
533
Graphlet
actual #533 vs paper #533
0.6430 ±0.0220
actual #533 vs paper #533
paper 0.6430 ±0.0220

Improvement within reported uncertainty; not highlighted.

paper 0.6430 ±0.0220 Δ at pub 0.0182
#ModelAccuracy ↑Paper
1
MSH-GNN
0.9410 ±0.0330
2
GRDL
0.8260 ±0.0120
3
GMN
0.8225
7
DiffPool
actual #7 vs paper #334 327 places worse
0.8161 ±0.0232
best reported
actual #7 vs paper #334 327 places worse
paper 0.7360 ±0.0360
best at pub: Memory-Based Graph Networks (ICLR 2020)
paper 0.7360 ±0.0360 Δ at pub 0.0265 Δ today 0.0801
32
GIN
actual #32 vs paper #341 309 places worse
0.7350 ±0.0380
actual #32 vs paper #341 309 places worse
paper 0.7350 ±0.0380

Improvement within reported uncertainty; not highlighted.

paper 0.7350 ±0.0380 Δ at pub 0.0210
67
SAGE
0.7726 ±0.0228
132
DGCNN
actual #132 vs paper #370 238 places worse
0.7626
best reported
actual #132 vs paper #370 238 places worse
paper 0.7290 ±0.0350
best today: Orthogonal Graph Neural Networks (AAAI 2021)

Difference within reported uncertainty; not counted as underperformance.

paper 0.7290 ±0.0350 Δ at pub 0.0264 Δ today 0.0336
148
GCN
actual #148 vs paper #349 201 places worse
0.7600 ±0.0320
best reported
actual #148 vs paper #349 201 places worse
paper 0.7330 ±0.0360

Difference within reported uncertainty; not counted as underperformance.

paper 0.7330 ±0.0360 Δ at pub 0.0070 Δ today 0.0270
149
MLP
0.7600 ±0.0320
190
WL
actual #190 vs paper #398 208 places worse
0.7560 ±0.0040
best reported
actual #190 vs paper #398 208 places worse
paper 0.7230 ±0.0340

Difference within reported uncertainty; not counted as underperformance.

paper 0.7230 ±0.0340 Δ at pub 0.0330
230
EigenPool
actual #230 vs paper #308 78 places worse
0.7519 ±0.0195
best reported
actual #230 vs paper #308 78 places worse
paper 0.7410 ±0.0310

Difference within reported uncertainty; not counted as underperformance.

paper 0.7410 ±0.0310 Δ today 0.0109
263
GraphCrop + EigenPool
0.7490 ±0.0330
This paper
316
GraphCrop + GCN
0.7400 ±0.0350
This paper
370
Graphlet
actual #370 vs paper #457 87 places worse
0.7291
best reported
actual #370 vs paper #457 87 places worse
paper 0.7010 ±0.0410
best at pub: Memory-Based Graph Networks (ICLR 2020)

Difference within reported uncertainty; not counted as underperformance.

paper 0.7010 ±0.0410 Δ at pub 0.0281
#ModelAccuracy ↑Paper
1
WL-MLP
0.9792
2
MSH-GNN
0.9640 ±0.0070
3
CoCN
0.8722 ±0.0013
23
GCN
actual #23 vs paper #259 236 places worse
0.8260 ±0.0220
best reported
actual #23 vs paper #259 236 places worse
paper 0.7430 ±0.0200
paper 0.7430 ±0.0200 Δ at pub 0.0630 Δ today 0.0830
30
GIN
actual #30 vs paper #240 210 places worse
0.8220 ±0.0210
best reported
actual #30 vs paper #240 210 places worse
paper 0.7550 ±0.0230
33
DiffPool
actual #33 vs paper #307 274 places worse
0.8213 ±0.0043
best reported
actual #33 vs paper #307 274 places worse
paper 0.6890 ±0.0220
paper 0.6890 ±0.0220 Δ at pub 0.1000 Δ today 0.1323
136
GraphSAGE
0.7970 ±0.0170
151
MLP
0.7920 ±0.0240
153
WL
actual #153 vs paper #298 145 places worse
0.7910 ±0.0010
best reported
actual #153 vs paper #298 145 places worse
paper 0.7040 ±0.0180
paper 0.7040 ±0.0180 Δ at pub 0.0870
191
DGCNN
actual #191 vs paper #290 99 places worse
0.7759 ±0.0224
best reported
actual #191 vs paper #290 99 places worse
paper 0.7110 ±0.0170
best at pub: Graph U-Nets (2019)
paper 0.7110 ±0.0170 Δ at pub 0.0266 Δ today 0.0649
252
GraphCrop + GCN
0.7510 ±0.0220
This paper
287
GraphCrop + EigenPool
0.7170 ±0.0210
This paper
294
EigenPool
0.7080 ±0.0190
This paper
322
Graphlet
actual #322 vs paper #325 3 places worse
0.6466
best reported
actual #322 vs paper #325 3 places worse
paper 0.6170 ±0.0220
best at pub: Memory-Based Graph Networks (ICLR 2020)

Difference within reported uncertainty; not counted as underperformance.

paper 0.6170 ±0.0220 Δ at pub 0.0296
#ModelAccuracy ↑Paper
1
GMN
0.7866
2
MemGNN
0.7550
3
TFGW SP
0.7510 ±0.0500
17
GatedGCN
0.7000 ±0.0494
18
WL
actual #18 vs paper #141 123 places worse
0.6950 ±0.0320
best reported
actual #18 vs paper #141 123 places worse
paper 0.5370 ±0.0600
paper 0.5370 ±0.0600 Δ at pub 0.0535 Δ today 0.1580
26
GraphSAGE
0.6817 ±0.0545
32
GIN
actual #32 vs paper #92 60 places worse
0.6030 ±0.0420
actual #32 vs paper #92 60 places worse
paper 0.6030 ±0.0420
best today: GNNBenchmark (JMLR 2023)
paper 0.6030 ±0.0420 Δ at pub 0.1460 Δ today 0.0737
36
GCN
actual #36 vs paper #106 70 places worse
0.5910 ±0.0470
actual #36 vs paper #106 70 places worse
paper 0.5910 ±0.0470

Improvement within reported uncertainty; not highlighted.

paper 0.5910 ±0.0470 Δ at pub 0.0610
49
EigenPool
actual #49 vs paper #71 22 places worse
0.6500
best reported
actual #49 vs paper #71 22 places worse
paper 0.6240 ±0.0380

Difference within reported uncertainty; not counted as underperformance.

paper 0.6240 ±0.0380 Δ at pub 0.0260
63
GraphCrop + EigenPool
0.6360 ±0.0360
This paper
70
DiffPool
actual #70 vs paper #98 28 places worse
0.6253
best reported
actual #70 vs paper #98 28 places worse
paper 0.5970 ±0.0530

Difference within reported uncertainty; not counted as underperformance.

paper 0.5970 ±0.0530 Δ at pub 0.0283
95
GraphCrop + GCN
0.6010 ±0.0420
This paper
119
DGCNN
actual #119 vs paper #189 70 places worse
0.5712
best reported
actual #119 vs paper #189 70 places worse
paper 0.3930 ±0.0590
124
MLP
0.5583 ±0.0352
128
Graphlet
actual #128 vs paper #184 56 places worse
0.4140 ±0.0520
actual #128 vs paper #184 56 places worse
paper 0.4140 ±0.0520
prev best: Memory-Based Graph Networks (ICLR 2020)

Improvement within reported uncertainty; not highlighted.

paper 0.4140 ±0.0520 Δ at pub 0.0037 Δ today 0.1390
#ModelAccuracy ↑Paper
1
GC-GNN (GCN)
0.9210 ±0.0810
2
SUGAR
0.8403 ±0.0133
3
Ortho-g-U-Nets
0.8387
15
SAGE
0.8088 ±0.0233
18
DiffPool
actual #18 vs paper #134 116 places worse
0.8064
best reported
actual #18 vs paper #134 116 places worse
paper 0.7520 ±0.0380
best at pub: Graph U-Nets (2019)
best today: Orthogonal Graph Neural Networks (AAAI 2021)

Difference within reported uncertainty; not counted as underperformance.

paper 0.7520 ±0.0380 Δ at pub 0.0544 Δ today 0.0544
25
WL
actual #25 vs paper #155 130 places worse
0.7978 ±0.0036
best reported
actual #25 vs paper #155 130 places worse
paper 0.7320 ±0.0180
paper 0.7320 ±0.0180 Δ at pub 0.0658 Δ today 0.0658
37
DGCNN
actual #37 vs paper #107 70 places worse
0.7937
best reported
actual #37 vs paper #107 70 places worse
paper 0.7670 ±0.0410
best today: Orthogonal Graph Neural Networks (AAAI 2021)

Difference within reported uncertainty; not counted as underperformance.

paper 0.7670 ±0.0410 Δ at pub 0.0267 Δ today 0.0267
43
GCN
actual #43 vs paper #148 105 places worse
0.7912 ±0.0307
best reported
actual #43 vs paper #148 105 places worse
paper 0.7420 ±0.0310
best today: Hierarchical Graph Capsule Network (AAAI 2020)

Difference within reported uncertainty; not counted as underperformance.

paper 0.7420 ±0.0310 Δ at pub 0.0170 Δ today 0.0492
57
EigenPool
actual #57 vs paper #121 64 places worse
0.7863 ±0.0136
best reported
actual #57 vs paper #121 64 places worse
paper 0.7590 ±0.0390

Difference within reported uncertainty; not counted as underperformance.

paper 0.7590 ±0.0390 Δ at pub 0.0273
62
Graphlet
actual #62 vs paper #160 98 places worse
0.7845
best reported
actual #62 vs paper #160 98 places worse
paper 0.7210 ±0.0370
74
GIN
actual #74 vs paper #131 57 places worse
0.7540 ±0.0260
actual #74 vs paper #131 57 places worse
paper 0.7540 ±0.0260

Improvement within reported uncertainty; not highlighted.

paper 0.7540 ±0.0260 Δ at pub 0.0420
100
GraphCrop + EigenPool
0.7730 ±0.0320
This paper
133
GraphCrop + GCN
0.7530 ±0.0300
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) Improved at pub — later paper surpassed this result Best today — OK at publication; today's leaderboard best is elsewhere