ABSTRACT
Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, co-authorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods.
Supplemental Material
- Lei Cai and Shuiwang Ji. 2020. A Multi-Scale Approach for Graph Link Prediction. In Thirty-Four AAAI Conference on Artificial Intelligence.Google Scholar
Cross Ref
- Olivier Chapelle, Bernhard Scholkopf, and Alexander Zien. 2009. Semi-supervised learning (chapelle, o. et al., eds.; 2006)[book reviews]. IEEE Transactions on Neural Networks, Vol. 20, 3 (2009), 542--542.Google Scholar
Digital Library
- Deli Chen, Yankai Lin, Wei Li, Peng Li, Jie Zhou, and Xu Sun. 2020. Measuring and Relieving the Over-smoothing Problem for Graph Neural Networks from the Topological View. In Thirty-Four AAAI Conference on Artificial Intelligence.Google Scholar
Cross Ref
- Michaël Defferrard, Xavier Bresson, and Pierre Vandergheynst. 2016. Convolutional neural networks on graphs with fast localized spectral filtering. In Advances in neural information processing systems. 3844--3852.Google Scholar
- Matthias Fey and Jan E. Lenssen. 2019. Fast Graph Representation Learning with PyTorch Geometric. In ICLR Workshop on Representation Learning on Graphs and Manifolds.Google Scholar
- Hongyang Gao and Shuiwang Ji. 2019. Graph U-Nets. In International Conference on Machine Learning. 2083--2092.Google Scholar
- Hongyang Gao, Zhengyang Wang, and Shuiwang Ji. 2018. Large-scale learnable graph convolutional networks. In Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining. 1416--1424.Google Scholar
Digital Library
- Justin Gilmer, Samuel S Schoenholz, Patrick F Riley, Oriol Vinyals, and George E Dahl. 2017. Neural message passing for quantum chemistry. In International Conference on Machine Learning. 1263--1272.Google Scholar
- Will Hamilton, Zhitao Ying, and Jure Leskovec. 2017. Inductive representation learning on large graphs. In Advances in Neural Information Processing Systems. 1024--1034.Google Scholar
- Kurt Hornik, Maxwell Stinchcombe, Halbert White, et al. 1989. Multilayer feedforward networks are universal approximators. IEEE Transactions on Neural Networks, Vol. 2, 5 (1989), 359--366.Google Scholar
Cross Ref
- Thomas N Kipf and Max Welling. 2017. Semi-supervised classification with graph convolutional networks. In International Conference on Learning Representations.Google Scholar
- Johannes Klicpera, Aleksandar Bojchevski, and Stephan Günnemann. 2019. Predict then propagate: Graph neural networks meet personalized pagerank. In International Conference on Learning Representations.Google Scholar
- Panqanamala Ramana Kumar and Pravin Varaiya. 2015. Stochastic systems: Estimation, identification, and adaptive control. Vol. 75. SIAM.Google Scholar
- Junhyun Lee, Inyeop Lee, and Jaewoo Kang. 2019. Self-Attention Graph Pooling. In International Conference on Machine Learning. 3734--3743.Google Scholar
- Qimai Li, Zhichao Han, and Xiao-Ming Wu. 2018. Deeper insights into graph convolutional networks for semi-supervised learning. In Thirty-Second AAAI Conference on Artificial Intelligence.Google Scholar
Cross Ref
- Meng Liu, Zhengyang Wang, and Shuiwang Ji. 2020. Non-Local Graph Neural Networks. arXiv preprint arXiv:2005.14612 (2020).Google Scholar
- László Lovász et al. 1993. Random walks on graphs: A survey. Combinatorics, Paul erdos is eighty, Vol. 2, 1 (1993), 1--46.Google Scholar
- Yao Ma, Suhang Wang, Charu C Aggarwal, and Jiliang Tang. 2019. Graph convolutional networks with eigenpooling. In Proceedings of the 25th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining. 723--731.Google Scholar
Digital Library
- Laurens van der Maaten and Geoffrey Hinton. 2008. Visualizing data using t-SNE. Journal of machine learning research, Vol. 9, Nov (2008), 2579--2605.Google Scholar
- Julian McAuley, Christopher Targett, Qinfeng Shi, and Anton Van Den Hengel. 2015. Image-based recommendations on styles and substitutes. In Proceedings of the 38th International ACM SIGIR Conference on Research and Development in Information Retrieval. 43--52.Google Scholar
Digital Library
- Federico Monti, Davide Boscaini, Jonathan Masci, Emanuele Rodola, Jan Svoboda, and Michael M Bronstein. 2017. Geometric deep learning on graphs and manifolds using mixture model cnns. In Proceedings of the IEEE Conference on Computer Vision and Pattern Recognition. 5115--5124.Google Scholar
Cross Ref
- Vinod Nair and Geoffrey E Hinton. 2010. Rectified linear units improve restricted boltzmann machines. In International Conference on Machine Learning. 807--814.Google Scholar
Digital Library
- Lawrence Page, Sergey Brin, Rajeev Motwani, and Terry Winograd. 1999. The PageRank citation ranking: Bringing order to the web. Technical Report. Stanford InfoLab.Google Scholar
- Adam Paszke, Sam Gross, Soumith Chintala, Gregory Chanan, Edward Yang, Zachary DeVito, Zeming Lin, Alban Desmaison, Luca Antiga, and Adam Lerer. 2017. Automatic differentiation in pytorch. In Proceedings of Neural Information Processing Systems Autodiff Workshop.Google Scholar
- Hongbin Pei, Bingzhe Wei, Kevin Chen-Chuan Chang, Yu Lei, and Bo Yang. 2020. Geom-gcn: Geometric graph convolutional networks. In International Conference on Learning Representations.Google Scholar
- Prithviraj Sen, Galileo Namata, Mustafa Bilgic, Lise Getoor, Brian Galligher, and Tina Eliassi-Rad. 2008. Collective classification in network data. AI magazine, Vol. 29, 3 (2008), 93--93.Google Scholar
- Eugene Seneta. 2006. Non-negative matrices and Markov chains .Springer Science & Business Media.Google Scholar
- Oleksandr Shchur, Maximilian Mumme, Aleksandar Bojchevski, and Stephan Günnemann. 2018. Pitfalls of graph neural network evaluation. arXiv preprint arXiv:1811.05868 (2018).Google Scholar
- Gabriel Taubin. 1995. A signal processing approach to fair surface design. In Proceedings of the 22nd annual conference on Computer graphics and interactive techniques. ACM, 351--358.Google Scholar
Digital Library
- Petar Velivc ković, Guillem Cucurull, Arantxa Casanova, Adriana Romero, Pietro Lio, and Yoshua Bengio. 2018. Graph attention networks. In International Conference on Learning Representation.Google Scholar
- Felix Wu, Amauri Souza, Tianyi Zhang, Christopher Fifty, Tao Yu, and Kilian Weinberger. 2019. Simplifying Graph Convolutional Networks. In International Conference on Machine Learning. 6861--6871.Google Scholar
- Keyulu Xu, Weihua Hu, Jure Leskovec, and Stefanie Jegelka. 2019. How powerful are graph neural networks?. In International Conference on Learning Representations.Google Scholar
- Keyulu Xu, Chengtao Li, Yonglong Tian, Tomohiro Sonobe, Ken-ichi Kawarabayashi, and Stefanie Jegelka. 2018. Representation Learning on Graphs with Jumping Knowledge Networks. In International Conference on Machine Learning. 5449--5458.Google Scholar
- Zhitao Ying, Jiaxuan You, Christopher Morris, Xiang Ren, Will Hamilton, and Jure Leskovec. 2018. Hierarchical graph representation learning with differentiable pooling. In Advances in neural information processing systems. 4800--4810.Google Scholar
- Hao Yuan and Shuiwang Ji. 2020. StructPool: Structured Graph Pooling via Conditional Random Fields. In International Conference on Learning Representations.Google Scholar
- Muhan Zhang and Yixin Chen. 2017. Weisfeiler-lehman neural machine for link prediction. In Proceedings of the 23rd ACM SIGKDD International Conference on Knowledge Discovery & Data Mining. 575--583.Google Scholar
Digital Library
- Muhan Zhang and Yixin Chen. 2018. Link prediction based on graph neural networks. In Advances in Neural Information Processing Systems. 5165--5175.Google Scholar
- Muhan Zhang, Zhicheng Cui, Marion Neumann, and Yixin Chen. 2018. An end-to-end deep learning architecture for graph classification. In Thirty-Second AAAI Conference on Artificial Intelligence.Google Scholar
Cross Ref
Index Terms
Towards Deeper Graph Neural Networks
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