TASK	DATASET	MODEL	METRIC NAME	METRIC VALUE	GLOBAL RANK
Graph Property Prediction	ogbg-molhiv	GIN+FLAG	Test ROC-AUC	0.7654 ± 0.0114	# 35
Graph Property Prediction	ogbg-molhiv	GIN+FLAG	Validation ROC-AUC	0.8225 ± 0.0155	# 27
Graph Property Prediction	ogbg-molhiv	GIN+FLAG	Number of params	1885206	# 12
Graph Property Prediction	ogbg-molhiv	GIN+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molhiv	GCN+FLAG	Test ROC-AUC	0.7683 ± 0.0102	# 34
Graph Property Prediction	ogbg-molhiv	GCN+FLAG	Validation ROC-AUC	0.8176 ± 0.0087	# 30
Graph Property Prediction	ogbg-molhiv	GCN+FLAG	Number of params	527701	# 19
Graph Property Prediction	ogbg-molhiv	GCN+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molhiv	DeeperGCN+FLAG	Test ROC-AUC	0.7942 ± 0.0120	# 20
Graph Property Prediction	ogbg-molhiv	DeeperGCN+FLAG	Validation ROC-AUC	0.8425 ± 0.0061	# 8
Graph Property Prediction	ogbg-molhiv	DeeperGCN+FLAG	Number of params	531976	# 17
Graph Property Prediction	ogbg-molhiv	DeeperGCN+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molhiv	GIN+virtual node+FLAG	Test ROC-AUC	0.7748 ± 0.0096	# 31
Graph Property Prediction	ogbg-molhiv	GIN+virtual node+FLAG	Validation ROC-AUC	0.8438 ± 0.0128	# 6
Graph Property Prediction	ogbg-molhiv	GIN+virtual node+FLAG	Number of params	3336306	# 8
Graph Property Prediction	ogbg-molhiv	GIN+virtual node+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molpcba	GCN+FLAG	Test AP	0.2116 ± 0.0017	# 29
Graph Property Prediction	ogbg-molpcba	GCN+FLAG	Validation AP	0.2150 ± 0.0022	# 29
Graph Property Prediction	ogbg-molpcba	GCN+FLAG	Number of params	565928	# 27
Graph Property Prediction	ogbg-molpcba	GCN+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molpcba	GCN+virtual node+FLAG	Test AP	0.2483 ± 0.0037	# 24
Graph Property Prediction	ogbg-molpcba	GCN+virtual node+FLAG	Validation AP	0.2556 ± 0.0040	# 23
Graph Property Prediction	ogbg-molpcba	GCN+virtual node+FLAG	Number of params	2017028	# 21
Graph Property Prediction	ogbg-molpcba	GCN+virtual node+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molpcba	GIN+virtual node+FLAG	Test AP	0.2834 ± 0.0038	# 20
Graph Property Prediction	ogbg-molpcba	GIN+virtual node+FLAG	Validation AP	0.2912 ± 0.0026	# 21
Graph Property Prediction	ogbg-molpcba	GIN+virtual node+FLAG	Number of params	3374533	# 18
Graph Property Prediction	ogbg-molpcba	GIN+virtual node+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molpcba	DeeperGCN+virtual node+FLAG	Test AP	0.2842 ± 0.0043	# 18
Graph Property Prediction	ogbg-molpcba	DeeperGCN+virtual node+FLAG	Validation AP	0.2952 ± 0.0029	# 17
Graph Property Prediction	ogbg-molpcba	DeeperGCN+virtual node+FLAG	Number of params	5550208	# 14
Graph Property Prediction	ogbg-molpcba	DeeperGCN+virtual node+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-molpcba	GIN+FLAG	Test AP	0.2395 ± 0.0040	# 26
Graph Property Prediction	ogbg-molpcba	GIN+FLAG	Validation AP	0.2451 ± 0.0042	# 25
Graph Property Prediction	ogbg-molpcba	GIN+FLAG	Number of params	1923433	# 23
Graph Property Prediction	ogbg-molpcba	GIN+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-ppa	GCN+virtual node+FLAG	Test Accuracy	0.6944 ± 0.0052	# 11
Graph Property Prediction	ogbg-ppa	GCN+virtual node+FLAG	Validation Accuracy	0.6638 ± 0.0055	# 11
Graph Property Prediction	ogbg-ppa	GCN+virtual node+FLAG	Number of params	1930537	# 10
Graph Property Prediction	ogbg-ppa	GCN+virtual node+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-ppa	DeeperGCN+FLAG	Test Accuracy	0.7752 ± 0.0069	# 6
Graph Property Prediction	ogbg-ppa	DeeperGCN+FLAG	Validation Accuracy	0.7484 ± 0.0052	# 6
Graph Property Prediction	ogbg-ppa	DeeperGCN+FLAG	Number of params	2336421	# 8
Graph Property Prediction	ogbg-ppa	DeeperGCN+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-ppa	GIN+virtual node+FLAG	Test Accuracy	0.7245 ± 0.0114	# 9
Graph Property Prediction	ogbg-ppa	GIN+virtual node+FLAG	Validation Accuracy	0.6789 ± 0.0079	# 9
Graph Property Prediction	ogbg-ppa	GIN+virtual node+FLAG	Number of params	3288042	# 6
Graph Property Prediction	ogbg-ppa	GIN+virtual node+FLAG	Ext. data	No	# 1
Graph Property Prediction	ogbg-ppa	GIN+FLAG	Test Accuracy	0.6905 ± 0.0092	# 12
Graph Property Prediction	ogbg-ppa	GIN+FLAG	Validation Accuracy	0.6465 ± 0.0070	# 15
Graph Property Prediction	ogbg-ppa	GIN+FLAG	Number of params	1836942	# 12
Graph Property Prediction	ogbg-ppa	GIN+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-arxiv	GCN_res + 8 layers + FLAG	Test Accuracy	0.7276 ± 0.0024	# 51
Node Property Prediction	ogbn-arxiv	GCN_res + 8 layers + FLAG	Validation Accuracy	0.7389 ± 0.0012	# 49
Node Property Prediction	ogbn-arxiv	GCN_res + 8 layers + FLAG	Number of params	155824	# 56
Node Property Prediction	ogbn-arxiv	GCN_res + 8 layers + FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-arxiv	GraphSAGE+FLAG	Test Accuracy	0.7219 ± 0.0021	# 57
Node Property Prediction	ogbn-arxiv	GraphSAGE+FLAG	Validation Accuracy	0.7349 ± 0.0009	# 54
Node Property Prediction	ogbn-arxiv	GraphSAGE+FLAG	Number of params	218664	# 52
Node Property Prediction	ogbn-arxiv	GraphSAGE+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-arxiv	GCN+FLAG	Test Accuracy	0.7204 ± 0.0020	# 62
Node Property Prediction	ogbn-arxiv	GCN+FLAG	Validation Accuracy	0.7330 ± 0.0010	# 58
Node Property Prediction	ogbn-arxiv	GCN+FLAG	Number of params	142888	# 60
Node Property Prediction	ogbn-arxiv	GCN+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-arxiv	DeeperGCN+FLAG	Test Accuracy	0.7214 ± 0.0019	# 60
Node Property Prediction	ogbn-arxiv	DeeperGCN+FLAG	Validation Accuracy	0.7311 ± 0.0009	# 62
Node Property Prediction	ogbn-arxiv	DeeperGCN+FLAG	Number of params	491176	# 47
Node Property Prediction	ogbn-arxiv	DeeperGCN+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-arxiv	MLP+FLAG	Test Accuracy	0.5602 ± 0.0019	# 76
Node Property Prediction	ogbn-arxiv	MLP+FLAG	Validation Accuracy	0.5817 ± 0.0011	# 71
Node Property Prediction	ogbn-arxiv	MLP+FLAG	Number of params	110120	# 63
Node Property Prediction	ogbn-arxiv	MLP+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-arxiv	GAT+FLAG	Test Accuracy	0.7371 ± 0.0013	# 36
Node Property Prediction	ogbn-arxiv	GAT+FLAG	Validation Accuracy	0.7496 ± 0.0010	# 33
Node Property Prediction	ogbn-arxiv	GAT+FLAG	Number of params	1628440	# 20
Node Property Prediction	ogbn-arxiv	GAT+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-mag	R-GCN+FLAG	Test Accuracy	0.4737 ± 0.0048	# 25
Node Property Prediction	ogbn-mag	R-GCN+FLAG	Validation Accuracy	0.4835 ± 0.0036	# 25
Node Property Prediction	ogbn-mag	R-GCN+FLAG	Number of params	154366772	# 4
Node Property Prediction	ogbn-mag	R-GCN+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-products	DeeperGCN+FLAG	Test Accuracy	0.8193 ± 0.0031	# 30
Node Property Prediction	ogbn-products	DeeperGCN+FLAG	Validation Accuracy	0.9221 ± 0.0037	# 35
Node Property Prediction	ogbn-products	DeeperGCN+FLAG	Number of params	253743	# 39
Node Property Prediction	ogbn-products	DeeperGCN+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-products	MLP+FLAG	Test Accuracy	0.6241 ± 0.0016	# 57
Node Property Prediction	ogbn-products	MLP+FLAG	Validation Accuracy	0.7688 ± 0.0014	# 53
Node Property Prediction	ogbn-products	MLP+FLAG	Number of params	103727	# 49
Node Property Prediction	ogbn-products	MLP+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-products	GraphSAGE+FLAG	Test Accuracy	0.7936 ± 0.0057	# 44
Node Property Prediction	ogbn-products	GraphSAGE+FLAG	Validation Accuracy	0.9205 ± 0.0007	# 38
Node Property Prediction	ogbn-products	GraphSAGE+FLAG	Number of params	206895	# 42
Node Property Prediction	ogbn-products	GraphSAGE+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-products	GAT+FLAG	Test Accuracy	0.8176 ± 0.0045	# 31
Node Property Prediction	ogbn-products	GAT+FLAG	Validation Accuracy	0.9251 ± 0.0006	# 27
Node Property Prediction	ogbn-products	GAT+FLAG	Number of params	751574	# 31
Node Property Prediction	ogbn-products	GAT+FLAG	Ext. data	No	# 1
Node Property Prediction	ogbn-proteins	DeeperGCN+FLAG	Test ROC-AUC	0.8596 ± 0.0027	# 12
Node Property Prediction	ogbn-proteins	DeeperGCN+FLAG	Validation ROC-AUC	0.9132 ± 0.0022	# 12
Node Property Prediction	ogbn-proteins	DeeperGCN+FLAG	Number of params	2374568	# 11
Node Property Prediction	ogbn-proteins	DeeperGCN+FLAG	Ext. data	No	# 1

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Robust Optimization as Data Augmentation for Large-scale Graphs

CVPR 2022 · Kezhi Kong, Guohao Li, Mucong Ding, Zuxuan Wu, Chen Zhu, Bernard Ghanem, Gavin Taylor, Tom Goldstein ·

Data augmentation helps neural networks generalize better by enlarging the training set, but it remains an open question how to effectively augment graph data to enhance the performance of GNNs (Graph Neural Networks). While most existing graph regularizers focus on manipulating graph topological structures by adding/removing edges, we offer a method to augment node features for better performance. We propose FLAG (Free Large-scale Adversarial Augmentation on Graphs), which iteratively augments node features with gradient-based adversarial perturbations during training. By making the model invariant to small fluctuations in input data, our method helps models generalize to out-of-distribution samples and boosts model performance at test time. FLAG is a general-purpose approach for graph data, which universally works in node classification, link prediction, and graph classification tasks. FLAG is also highly flexible and scalable, and is deployable with arbitrary GNN backbones and large-scale datasets. We demonstrate the efficacy and stability of our method through extensive experiments and ablation studies. We also provide intuitive observations for a deeper understanding of our method.

PDF Abstract CVPR 2022 PDF CVPR 2022 Abstract

Code

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devnkong/FLAG official

136

sangyx/gtrick

239

ytchx1999/GCN_res-FLAG

Tasks

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Data Augmentation

Graph Classification

Link Prediction

Node Classification

Node Property Prediction

Open-Ended Question Answering

Datasets

OGB CLUSTER

Results from the Paper

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Ranked #1 on Graph Property Prediction on ogbg-ppa

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Task	Dataset	Model	Metric Name	Metric Value	Global Rank	Benchmark
Graph Property Prediction	ogbg-molhiv	GIN+FLAG	Test ROC-AUC	0.7654 ± 0.0114	# 35	Compare
			Validation ROC-AUC	0.8225 ± 0.0155	# 27	Compare
			Number of params	1885206	# 12	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molhiv	GCN+FLAG	Test ROC-AUC	0.7683 ± 0.0102	# 34	Compare
			Validation ROC-AUC	0.8176 ± 0.0087	# 30	Compare
			Number of params	527701	# 19	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molhiv	DeeperGCN+FLAG	Test ROC-AUC	0.7942 ± 0.0120	# 20	Compare
			Validation ROC-AUC	0.8425 ± 0.0061	# 8	Compare
			Number of params	531976	# 17	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molhiv	GIN+virtual node+FLAG	Test ROC-AUC	0.7748 ± 0.0096	# 31	Compare
			Validation ROC-AUC	0.8438 ± 0.0128	# 6	Compare
			Number of params	3336306	# 8	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molpcba	GCN+FLAG	Test AP	0.2116 ± 0.0017	# 29	Compare
			Validation AP	0.2150 ± 0.0022	# 29	Compare
			Number of params	565928	# 27	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molpcba	GCN+virtual node+FLAG	Test AP	0.2483 ± 0.0037	# 24	Compare
			Validation AP	0.2556 ± 0.0040	# 23	Compare
			Number of params	2017028	# 21	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molpcba	GIN+virtual node+FLAG	Test AP	0.2834 ± 0.0038	# 20	Compare
			Validation AP	0.2912 ± 0.0026	# 21	Compare
			Number of params	3374533	# 18	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molpcba	DeeperGCN+virtual node+FLAG	Test AP	0.2842 ± 0.0043	# 18	Compare
			Validation AP	0.2952 ± 0.0029	# 17	Compare
			Number of params	5550208	# 14	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-molpcba	GIN+FLAG	Test AP	0.2395 ± 0.0040	# 26	Compare
			Validation AP	0.2451 ± 0.0042	# 25	Compare
			Number of params	1923433	# 23	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-ppa	GCN+virtual node+FLAG	Test Accuracy	0.6944 ± 0.0052	# 11	Compare
			Validation Accuracy	0.6638 ± 0.0055	# 11	Compare
			Number of params	1930537	# 10	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-ppa	DeeperGCN+FLAG	Test Accuracy	0.7752 ± 0.0069	# 6	Compare
			Validation Accuracy	0.7484 ± 0.0052	# 6	Compare
			Number of params	2336421	# 8	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-ppa	GIN+virtual node+FLAG	Test Accuracy	0.7245 ± 0.0114	# 9	Compare
			Validation Accuracy	0.6789 ± 0.0079	# 9	Compare
			Number of params	3288042	# 6	Compare
			Ext. data	No	# 1	Compare
Graph Property Prediction	ogbg-ppa	GIN+FLAG	Test Accuracy	0.6905 ± 0.0092	# 12	Compare
			Validation Accuracy	0.6465 ± 0.0070	# 15	Compare
			Number of params	1836942	# 12	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-arxiv	GCN_res + 8 layers + FLAG	Test Accuracy	0.7276 ± 0.0024	# 51	Compare
			Validation Accuracy	0.7389 ± 0.0012	# 49	Compare
			Number of params	155824	# 56	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-arxiv	GraphSAGE+FLAG	Test Accuracy	0.7219 ± 0.0021	# 57	Compare
			Validation Accuracy	0.7349 ± 0.0009	# 54	Compare
			Number of params	218664	# 52	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-arxiv	GCN+FLAG	Test Accuracy	0.7204 ± 0.0020	# 62	Compare
			Validation Accuracy	0.7330 ± 0.0010	# 58	Compare
			Number of params	142888	# 60	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-arxiv	DeeperGCN+FLAG	Test Accuracy	0.7214 ± 0.0019	# 60	Compare
			Validation Accuracy	0.7311 ± 0.0009	# 62	Compare
			Number of params	491176	# 47	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-arxiv	MLP+FLAG	Test Accuracy	0.5602 ± 0.0019	# 76	Compare
			Validation Accuracy	0.5817 ± 0.0011	# 71	Compare
			Number of params	110120	# 63	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-arxiv	GAT+FLAG	Test Accuracy	0.7371 ± 0.0013	# 36	Compare
			Validation Accuracy	0.7496 ± 0.0010	# 33	Compare
			Number of params	1628440	# 20	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-mag	R-GCN+FLAG	Test Accuracy	0.4737 ± 0.0048	# 25	Compare
			Validation Accuracy	0.4835 ± 0.0036	# 25	Compare
			Number of params	154366772	# 4	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-products	DeeperGCN+FLAG	Test Accuracy	0.8193 ± 0.0031	# 30	Compare
			Validation Accuracy	0.9221 ± 0.0037	# 35	Compare
			Number of params	253743	# 39	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-products	MLP+FLAG	Test Accuracy	0.6241 ± 0.0016	# 57	Compare
			Validation Accuracy	0.7688 ± 0.0014	# 53	Compare
			Number of params	103727	# 49	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-products	GraphSAGE+FLAG	Test Accuracy	0.7936 ± 0.0057	# 44	Compare
			Validation Accuracy	0.9205 ± 0.0007	# 38	Compare
			Number of params	206895	# 42	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-products	GAT+FLAG	Test Accuracy	0.8176 ± 0.0045	# 31	Compare
			Validation Accuracy	0.9251 ± 0.0006	# 27	Compare
			Number of params	751574	# 31	Compare
			Ext. data	No	# 1	Compare
Node Property Prediction	ogbn-proteins	DeeperGCN+FLAG	Test ROC-AUC	0.8596 ± 0.0027	# 12	Compare
			Validation ROC-AUC	0.9132 ± 0.0022	# 12	Compare
			Number of params	2374568	# 11	Compare
			Ext. data	No	# 1	Compare

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