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GPT-GNN: Generative Pre-Training of Graph Neural Networks

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Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective way to reduce the labeling effort is to pre-train an expressive GNN model on unlabeled data with self-supervision and then transfer the learned model to downstream tasks with only a few labels. In this paper, we present the GPT-GNN framework to initialize GNNs by generative pre-training. GPT-GNN introduces a self-supervised attributed graph generation task to pre-train a GNN so that it can capture the structural and semantic properties of the graph. We factorize the likelihood of the graph generation into two components: 1) Attribute Generation and 2) Edge Generation. By modeling both components, GPT-GNN captures the inherent dependency between node attributes and graph structure during the generative process. Comprehensive experiments on the billion-scale Open Academic Graph and Amazon recommendation data demonstrate that GPT-GNN significantly outperforms state-of-the-art GNN models without pre-training by up to 9.1% across various downstream tasks.

Ziniu Hu, Yuxiao Dong, Kuansan Wang, Kai-Wei Chang, Yizhou Sun• 2020

Related benchmarks

TaskDatasetResultRank
Node ClassificationCora
Accuracy80.1
885
Node ClassificationCiteseer
Accuracy68.4
804
Node ClassificationPubmed
Accuracy76.3
742
Node ClassificationCora standard (test)
Accuracy80.1
130
Node ClassificationCiteseer standard (test)
Accuracy68.4
121
Molecular property predictionMoleculeNet BBBP (scaffold)
ROC AUC64.5
117
Molecular property predictionMoleculeNet SIDER (scaffold)
ROC-AUC0.581
97
Node ClassificationPubmed standard (test)
Accuracy76.3
92
Molecular property predictionMoleculeNet BACE (scaffold)
ROC-AUC77.9
87
Molecular property predictionMoleculeNet MUV (scaffold)
ROC-AUC0.759
68
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