DeeperGCN: All You Need to Train Deeper GCNs

13 Jun 2020  ·  Guohao Li, Chenxin Xiong, Ali Thabet, Bernard Ghanem ·

Graph Convolutional Networks (GCNs) have been drawing significant attention with the power of representation learning on graphs. Unlike Convolutional Neural Networks (CNNs), which are able to take advantage of stacking very deep layers, GCNs suffer from vanishing gradient, over-smoothing and over-fitting issues when going deeper. These challenges limit the representation power of GCNs on large-scale graphs. This paper proposes DeeperGCN that is capable of successfully and reliably training very deep GCNs. We define differentiable generalized aggregation functions to unify different message aggregation operations (e.g. mean, max). We also propose a novel normalization layer namely MsgNorm and a pre-activation version of residual connections for GCNs. Extensive experiments on Open Graph Benchmark (OGB) show DeeperGCN significantly boosts performance over the state-of-the-art on the large scale graph learning tasks of node property prediction and graph property prediction. Please visit https://www.deepgcns.org for more information.

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Task Dataset Model Metric Name Metric Value Global Rank Result Benchmark
Graph Property Prediction ogbg-molhiv DeeperGCN Test ROC-AUC 0.7858 ± 0.0117 # 28
Validation ROC-AUC 0.8427 ± 0.0063 # 7
Number of params 531976 # 18
Ext. data No # 1
Graph Property Prediction ogbg-molpcba DeeperGCN+virtual node Test AP 0.2781 ± 0.0038 # 25
Validation AP 0.2920 ± 0.0025 # 21
Number of params 5550208 # 17
Ext. data No # 1
Graph Property Prediction ogbg-ppa DeeperGCN Test Accuracy 0.7712 ± 0.0071 # 7
Validation Accuracy 0.7313 ± 0.0078 # 7
Number of params 2336421 # 8
Ext. data No # 1
Link Property Prediction ogbl-collab DeeperGCN Test Hits@50 0.5273 ± 0.0047 # 20
Validation Hits@50 0.6187 ± 0.0045 # 18
Number of params 117383 # 25
Ext. data No # 1
Node Property Prediction ogbn-arxiv DeeperGCN Test Accuracy 0.7192 ± 0.0016 # 68
Validation Accuracy 0.7262 ± 0.0014 # 70
Number of params 491176 # 49
Ext. data No # 1
Node Property Prediction ogbn-products DeeperGCN Test Accuracy 0.8098 ± 0.0020 # 38
Validation Accuracy 0.9238 ± 0.0009 # 32
Number of params 253743 # 42
Ext. data No # 1
Node Property Prediction ogbn-proteins GEN + FLAG + node2vec Test ROC-AUC 0.8251 ± 0.0043 # 17
Validation ROC-AUC 0.8656 ± 0.0037 # 17
Number of params 487436 # 18
Ext. data No # 1
Node Property Prediction ogbn-proteins DeeperGCN Test ROC-AUC 0.8580 ± 0.0017 # 14
Validation ROC-AUC 0.9106 ± 0.0016 # 14
Number of params 2374568 # 12
Ext. data No # 1

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