Variational Recurrent Neural Networks for Graph Classification

7 Feb 2019  ·  Edouard Pineau, Nathan de Lara ·

We address the problem of graph classification based only on structural information. Inspired by natural language processing techniques (NLP), our model sequentially embeds information to estimate class membership probabilities. Besides, we experiment with NLP-like variational regularization techniques, making the model predict the next node in the sequence as it reads it. We experimentally show that our model achieves state-of-the-art classification results on several standard molecular datasets. Finally, we perform a qualitative analysis and give some insights on whether the node prediction helps the model better classify graphs.

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Results from the Paper


Task Dataset Model Metric Name Metric Value Global Rank Result Benchmark
Graph Classification ENZYMES VRGC Accuracy 48.4% # 34
Graph Classification MUTAG VRGC Accuracy 86.3% # 54
Graph Classification NCI1 VRGC Accuracy 80.7% # 28
Graph Classification PROTEINS VRGC Accuracy 74.8% # 63

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