Abstract
Graph neural networks (GNNs), which generalize deep neural network models to graph structure data, have attracted increasing attention and achieved state-of-the-art performance in graph-related tasks such as graph classification, link prediction, and node classification. To adapt GNNs to graph classification, existing works aim to define the graph pooling method to learn graph-level representation by downsampling and summarizing the information present in the nodes. However, most existing pooling methods lack a way of obtaining information about the entire graph from both the local and global aspects of the graph. Moreover, in these pooling methods, the difference features between nodes and their neighbors are usually ignored, which is crucial in obtaining graph information in our opinions. In this paper, we propose a novel graph pooling method called Node Information Awareness Pooling (NIAPool), which addresses the limitations of previous graph pooling methods. NIAPool utilizes a novel self-attention framework and a new convolution operation that can better capture the difference features between nodes to obtain node information in the graph from both local and global aspects. Experiments on five public benchmark datasets demonstrate the superior performance of NIAPool for graph classification compared to the state-of-the-art baseline methods.
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References
Baek, J., Kang, M., Hwang, S.J.: Accurate learning of graph representations with graph multiset pooling. In: International Conference on Learning Representations. OpenReview.net (2021)
Bianchi, F.M., Grattarola, D., Alippi, C.: MinCUT pooling in graph neural networks. ArXiv abs/1907.00481 (2019)
Borgwardt, K.M., Ong, C.S., Schönauer, S., Vishwanathan, S.V.N., Smola, A., Kriegel, H.P.: Protein function prediction via graph kernels. Bioinformatics 21(Suppl 1), i47–56 (2005)
Diehl, F.: Edge contraction pooling for graph neural networks. CoRR abs/1905.10990 (2019)
Dobson, P.D., Doig, A.J.: Distinguishing enzyme structures from non-enzymes without alignments. J. Mol. Biol. 330(4), 771–83 (2003)
Duvenaud, D., et al.: Convolutional networks on graphs for learning molecular fingerprints. In: Advances in Neural Information Processing Systems, pp. 2224–2232 (2015)
Gao, H., Ji, S.: Graph U-nets. In: International Conference on Machine Learning. Proceedings of Machine Learning Research, vol. 97, pp. 2083–2092. PMLR (2019)
Gao, H., Liu, Y., Ji, S.: Topology-aware graph pooling networks. IEEE Trans. Pattern Anal. Mach. Intell. PP (2021)
Hamilton, W.L., Ying, Z., Leskovec, J.: Inductive representation learning on large graphs. In: Advances in Neural Information Processing Systems, pp. 1024–1034 (2017)
Hu, L., Yang, T., Shi, C., Ji, H., Li, X.: Heterogeneous graph attention networks for semi-supervised short text classification. In: Empirical Methods in Natural Language Processing, pp. 4820–4829. Association for Computational Linguistics (2019)
Kipf, T.N., Welling, M.: Variational graph auto-encoders. CoRR abs/1611.07308 (2016)
Kipf, T.N., Welling, M.: Semi-supervised classification with graph convolutional networks. In: International Conference on Learning Representations. OpenReview.net (2017)
Lee, J., Lee, I., Kang, J.: Self-attention graph pooling. In: Chaudhuri, K., Salakhutdinov, R. (eds.) International Conference on Machine Learning. Proceedings of Machine Learning Research, vol. 97, pp. 3734–3743. PMLR (2019)
Li, X., et al.: BrainGNN: interpretable brain graph neural network for fMRI analysis. Med. Image Anal. 74, 102233 (2021)
Li, Y., Tarlow, D., Brockschmidt, M., Zemel, R.S.: Gated graph sequence neural networks. In: International Conference on Learning Representations (2016)
Orsini, F., Frasconi, P., Raedt, L.D.: Graph invariant kernels. In: Yang, Q., Wooldridge, M.J. (eds.) International Joint Conference on Artificial Intelligence, pp. 3756–3762. AAAI Press (2015)
Ranjan, E., Sanyal, S., Talukdar, P.P.: ASAP: adaptive structure aware pooling for learning hierarchical graph representations. In: AAAI Conference on Artificial Intelligence, pp. 5470–5477. AAAI Press (2020)
Schlichtkrull, M., Kipf, T.N., Bloem, P., van den Berg, R., Titov, I., Welling, M.: Modeling relational data with graph convolutional networks. In: Gangemi, A., et al. (eds.) ESWC 2018. LNCS, vol. 10843, pp. 593–607. Springer, Cham (2018). https://doi.org/10.1007/978-3-319-93417-4_38
Shen, T., Zhou, T., Long, G., Jiang, J., Pan, S., Zhang, C.: DiSAN: directional self-attention network for RNN/CNN-free language understanding. In: Conference on Artificial Intelligence, pp. 5446–5455. AAAI Press (2018)
Shervashidze, N., Schweitzer, P., van Leeuwen, E.J., Mehlhorn, K., Borgwardt, K.M.: Weisfeiler-Lehman graph kernels. J. Mach. Learn. Res. 12, 2539–2561 (2011)
Shi, J.Y., Huang, H., Zhang, Y.N., Long, Y.X., Yiu, S.: Predicting binary, discrete and continued IncRNA-disease associations via a unified framework based on graph regression. BMC Med. Genom. 10, 55–64 (2017)
Shi, L., Zhang, Y., Cheng, J., Lu, H.: Two-stream adaptive graph convolutional networks for skeleton-based action recognition. In: Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition, pp. 12026–12035 (2019)
Shlomi, J., Battaglia, P.W., Vlimant, J.: Graph neural networks in particle physics. Mach. Learn. Sci. Technol. 2(2), 21001 (2021)
Stokes, J.M., et al.: A deep learning approach to antibiotic discovery. Cell 180, 688–702.e13 (2020)
Vashishth, S., Joshi, R., Prayaga, S.S., Bhattacharyya, C., Talukdar, P.P.: RESIDE: improving distantly-supervised neural relation extraction using side information. In: Empirical Methods in Natural Language Processing, pp. 1257–1266. Association for Computational Linguistics (2018)
Vaswani, A., et al.: Attention is all you need. In: Advances in Neural Information Processing Systems, pp. 5998–6008 (2017)
Velickovic, P., Cucurull, G., Casanova, A., Romero, A., Liò, P., Bengio, Y.: Graph attention networks. CoRR abs/1710.10903 (2017)
Vinyals, O., Bengio, S., Kudlur, M.: Order matters: sequence to sequence for sets. In: International Conference on Learning Representations (2016)
Wale, N., Watson, I.A., Karypis, G.: Comparison of descriptor spaces for chemical compound retrieval and classification. Knowl. Inf. Syst. 14, 347–375 (2006)
Xu, K., Hu, W., Leskovec, J., Jegelka, S.: How powerful are graph neural networks? In: International Conference on Learning Representations. OpenReview.net (2019)
Xu, K., Li, C., Tian, Y., Sonobe, T., Kawarabayashi, K., Jegelka, S.: Representation learning on graphs with jumping knowledge networks. In: International Conference on Machine Learning. Proceedings of Machine Learning Research, vol. 80, pp. 5449–5458. PMLR (2018)
Yang, H., et al.: Interpretable multimodality embedding of cerebral cortex using attention graph network for identifying bipolar disorder. In: Shen, D., et al. (eds.) MICCAI 2019. LNCS, vol. 11766, pp. 799–807. Springer, Cham (2019). https://doi.org/10.1007/978-3-030-32248-9_89
Ying, Z., You, J., Morris, C., Ren, X., Hamilton, W.L., Leskovec, J.: Hierarchical graph representation learning with differentiable pooling. In: Advances in Neural Information Processing Systems, pp. 4805–4815 (2018)
Zhang, L., et al.: Structure-feature based graph self-adaptive pooling. In: International World Wide Web Conference, pp. 3098–3104. ACM/IW3C2 (2020)
Zhang, M., Cui, Z., Neumann, M., Chen, Y.: An end-to-end deep learning architecture for graph classification. In: AAAI Conference on Artificial Intelligence, pp. 4438–4445. AAAI Press (2018)
Zhang, Z., et al.: Hierarchical graph pooling with structure learning. CoRR abs/1911.05954 (2019)
Acknowledgments
This work was supported by the National Key R&D Program of China (2017YFB0202403) and the Key R&D Program of Sichuan Province, China (2017GZDZX0003, 2020YFG0089, 2020YFG0308, 2020YFG0304).
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Sun, C., Huang, F., Peng, J. (2022). Node Information Awareness Pooling for Graph Representation Learning. In: Gama, J., Li, T., Yu, Y., Chen, E., Zheng, Y., Teng, F. (eds) Advances in Knowledge Discovery and Data Mining. PAKDD 2022. Lecture Notes in Computer Science(), vol 13280. Springer, Cham. https://doi.org/10.1007/978-3-031-05933-9_15
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