An end-to-end deep learning architecture for graph classification

M Zhang, Z Cui, M Neumann, Y Chen - Proceedings of the AAAI …, 2018 - ojs.aaai.org
Proceedings of the AAAI conference on artificial intelligence, 2018ojs.aaai.org
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 …
Abstract
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.
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