Network In Graph Neural Network

23 Nov 2021  ·  Xiang Song, Runjie Ma, Jiahang Li, Muhan Zhang, David Paul Wipf ·

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this regard, various strategies have been proposed in the past to improve the expressiveness of GNNs. For example, one straightforward option is to simply increase the parameter size by either expanding the hid-den dimension or increasing the number of GNN layers. However, wider hidden layers can easily lead to overfitting, and incrementally adding more GNN layers can potentially result in over-smoothing.In this paper, we present a model-agnostic methodology, namely Network In Graph Neural Network (NGNN ), that allows arbitrary GNN models to increase their model capacity by making the model deeper. However, instead of adding or widening GNN layers, NGNN deepens a GNN model by inserting non-linear feedforward neural network layer(s) within each GNN layer. An analysis of NGNN as applied to a GraphSage base GNN on ogbn-products data demonstrate that it can keep the model stable against either node feature or graph structure perturbations. Furthermore, wide-ranging evaluation results on both node classification and link prediction tasks show that NGNN works reliably across diverse GNN architectures.For instance, it improves the test accuracy of GraphSage on the ogbn-products by 1.6% and improves the hits@100 score of SEAL on ogbl-ppa by 7.08% and the hits@20 score of GraphSage+Edge-Attr on ogbl-ppi by 6.22%. And at the time of this submission, it achieved two first places on the OGB link prediction leaderboard.

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Datasets


Task Dataset Model Metric Name Metric Value Global Rank Result Benchmark
Link Property Prediction ogbl-citation2 NGNN + SEAL Test MRR 0.8891 ± 0.0022 # 4
Validation MRR 0.8879 ± 0.0022 # 5
Number of params 1134402 # 7
Ext. data No # 1
Link Property Prediction ogbl-collab NGNN + GCN Test Hits@50 0.5348 ± 0.0040 # 19
Validation Hits@50 0.6273 ± 0.0040 # 17
Number of params 428033 # 22
Ext. data No # 1
Link Property Prediction ogbl-collab NGNN + GraphSAGE Test Hits@50 0.5359 ± 0.0056 # 18
Validation Hits@50 0.6281 ± 0.0046 # 16
Number of params 591873 # 15
Ext. data No # 1
Link Property Prediction ogbl-ddi NGNN + GraphSAGE Test Hits@20 0.5770 ± 0.1523 # 20
Validation Hits@20 0.7323 ± 0.0040 # 11
Number of params 1618433 # 14
Ext. data No # 1
Link Property Prediction ogbl-ddi NGNN + GCN Test Hits@20 0.5483 ± 0.1581 # 21
Validation Hits@20 0.7121 ± 0.0038 # 14
Number of params 1487361 # 17
Ext. data No # 1
Link Property Prediction ogbl-ppa NGNN + SEAL Test Hits@100 0.5971 ± 0.0245 # 5
Validation Hits@100 0.5995 ± 0.0205 # 6
Number of params 735426 # 8
Ext. data No # 1
Link Property Prediction ogbl-ppa NGNN + GCN Test Hits@100 0.3683 ± 0.0099 # 16
Validation Hits@100 0.3834 ± 0.0082 # 16
Number of params 410113 # 13
Ext. data No # 1
Link Property Prediction ogbl-ppa NGNN + GraphSAGE Test Hits@100 0.4005 ± 0.0138 # 15
Validation Hits@100 0.4058 ± 0.0123 # 15
Number of params 556033 # 10
Ext. data No # 1
Node Property Prediction ogbn-proteins GAT+BOT+NGNN Test ROC-AUC 0.8809 ± 0.0016 # 5
Validation ROC-AUC 0.9375 ± 0.0019 # 5
Number of params 11740552 # 6
Ext. data No # 1

Methods