An End-to-End Deep Learning Architecture for Graph Classification


  • Muhan Zhang Washington University in St. Louis
  • Zhicheng Cui Washington University in St. Louis
  • Marion Neumann Washington University in St. Louis
  • Yixin Chen Washington University in St. Louis



graph classification, graph neural networks, graph kernel


Neural networks are typically designed to deal with data in tensor forms. In this paper, we propose a novel neural network architecture accepting graphs of arbitrary structure. Given a dataset containing graphs in the form of (G,y) where G is a graph and y is its class, we aim to develop neural networks that read the graphs directly and learn a classification function. There are two main challenges: 1) how to extract useful features characterizing the rich information encoded in a graph for classification purpose, and 2) how to sequentially read a graph in a meaningful and consistent order. To address the first challenge, we design a localized graph convolution model and show its connection with two graph kernels. To address the second challenge, we design a novel SortPooling layer which sorts graph vertices in a consistent order so that traditional neural networks can be trained on the graphs. Experiments on benchmark graph classification datasets demonstrate that the proposed architecture achieves highly competitive performance with state-of-the-art graph kernels and other graph neural network methods. Moreover, the architecture allows end-to-end gradient-based training with original graphs, without the need to first transform graphs into vectors.




How to Cite

Zhang, M., Cui, Z., Neumann, M., & Chen, Y. (2018). An End-to-End Deep Learning Architecture for Graph Classification. Proceedings of the AAAI Conference on Artificial Intelligence, 32(1).