We address the problem of graph classification based only on structural information. Most standard methods require either the pairwise comparisons of all graphs in the dataset or the extraction of ad-hoc features to perform classification. Those methods respectively raise scalability issues when the number of samples in the dataset is large, and flexibility issues when discriminative information is characterized by exotic features. Recent advances in neural network architectures offer new possibilities for graph analysis in terms of scalability and feature learning. In this paper, we propose a new sequential approach using recurrent neural networks (RNN). Our model sequentially embeds information allowing to model final class membership probabilities. We also propose a regularization based on variational node prediction ending up with better learning and generalization. We experimentally show that our model reaches state-of-the-art classification results on several common molecular datasets. Finally, we perform a qualitative analysis and give some insights about how the joint node prediction helps the model to better classify graphs.

本文提出了一种基于自然语言处理技术的图分类方法，使用结构信息嵌入，采用类似于NLP的证明技术，对几个标准分子数据集进行了实验，取得了最先进的分类结果，并对节点预测是否有助于更好地分类图进行了定性分析。

用变分循环神经网络进行图分类