Nothing Special   »   [go: up one dir, main page]

skip to main content
10.5555/3540261.3541309guideproceedingsArticle/Chapter ViewAbstractPublication PagesnipsConference Proceedingsconference-collections
research-article

Neo-GNNs: neighborhood overlap-aware graph neural networks for link prediction

Published: 10 June 2024 Publication History

Abstract

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and graph classification. However, since GNNs heavily rely on smoothed node features rather than graph structure, they often show poor performance than simple heuristic methods in link prediction where the structural information, e.g., overlapped neighborhoods, degrees, and shortest paths, is crucial. To address this limitation, we propose Neighborhood Overlap-aware Graph Neural Networks (Neo-GNNs) that learn useful structural features from an adjacency matrix and estimate overlapped neighborhoods for link prediction. Our Neo-GNNs generalize neighborhood overlap-based heuristic methods and handle overlapped multi-hop neighborhoods. Our extensive experiments on Open Graph Benchmark datasets (OGB) demonstrate that Neo-GNNs consistently achieve state-of-the-art performance in link prediction.

Supplementary Material

Additional material (3540261.3541309_supp.pdf)
Supplemental material.

References

[1]
Jiezhong Qiu, Jian Tang, Hao Ma, Yuxiao Dong, Kuansan Wang, and Jie Tang. Deepinf: Social influence prediction with deep learning. In Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining (KDD), pages 2110–2119, 2018.
[2]
Lei Tang and Huan Liu. Graph mining applications to social network analysis. In Managing and Mining Graph Data, pages 487–513. Springer, 2010.
[3]
Hao Wang, Tong Xu, Qi Liu, Defu Lian, Enhong Chen, Dongfang Du, Han Wu, and Wen Su. Mcne: An end-to-end framework for learning multiple conditional network representations of social network. In Proceedings of the 25th ACM SIGKDD International Conference on Knowledge Discovery Data Mining (KDD), pages 1064–1072, 2019.
[4]
Nicola De Cao and Thomas Kipf. Molgan: An implicit generative model for small molecular graphs. arXiv preprint arXiv:1805.11973, 2018.
[5]
David K Duvenaud, Dougal Maclaurin, Jorge Iparraguirre, Rafael Bombarell, Timothy Hirzel, Alan Aspuru-Guzik, and Ryan P Adams. Convolutional networks on graphs for learning molecular fingerprints. In Advances in Neural Information Processing Systems (NeurIPS) 28, pages 2224–2232. Curran Associates, Inc., 2015.
[6]
Alex Fout, Jonathon Byrd, Basir Shariat, and Asa Ben-Hur. Protein interface prediction using graph convolutional networks. In Advances in Neural Information Processing Systems (NeurIPS) 30, pages 6530–6539. Curran Associates, Inc., 2017.
[7]
Justin Gilmer, Samuel S. Schoenholz, Patrick F. Riley, Oriol Vinyals, and George E. Dahl. Neural message passing for quantum chemistry. In Proceedings of the 34th International Conference on Machine Learning, Proceedings of Machine Learning Research, pages 1263–1272, 2017.
[8]
Helisa Dhamo, Azade Farshad, Iro Laina, Nassir Navab, Gregory D. Hager, Federico Tombari, and Christian Rupprecht. Semantic image manipulation using scene graphs. In The IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR), pages 5213–5222, 2020.
[9]
Charles R Qi, Hao Su, Kaichun Mo, and Leonidas J Guibas. Pointnet: Deep learning on point sets for 3d classification and segmentation. In Proceedings of the IEEE conference on computer vision and pattern recognition, pages 652–660, 2017.
[10]
Yue Wang, Yongbin Sun, Ziwei Liu, Sanjay E Sarma, Michael M Bronstein, and Justin M Solomon. Dynamic graph cnn for learning on point clouds. Acm Transactions On Graphics (tog), 38(5):1–12, 2019.
[11]
Thomas N. Kipf and Max Welling. Semi-supervised classification with graph convolutional networks. In International Conference on Learning Representations, 2017.
[12]
Petar Veličković, Guillem Cucurull, Arantxa Casanova, Adriana Romero, Pietro Lio, and Yoshua Bengio. Graph attention networks. arXiv preprint arXiv:1710.10903, 2017.
[13]
Johannes Klicpera, Stefan Weiß enberger, and Stephan Günnemann. Diffusion improves graph learning. In Advances in Neural Information Processing Systems (NeurIPS) 32, pages 13333–13345. Curran Associates, Inc., 2019.
[14]
Ming Chen, Zhewei Wei, Zengfeng Huang, Bolin Ding, and Yaliang Li. Simple and deep graph convolutional networks. In Proceedings of the 37th International Conference on Machine Learning (ICML), pages 1725–1735, 2020.
[15]
Cheng Zheng, Bo Zong, Wei Cheng, Dongjin Song, Jingchao Ni, Wenchao Yu, Haifeng Chen, and Wei Wang. Robust graph representation learning via neural sparsification. In Proceedings of the 37th International Conference on Machine Learning (ICML), pages 11458–11468, 2020.
[16]
Muhan Zhang, Zhicheng Cui, Marion Neumann, and Yixin Chen. An end-to-end deep learning architecture for graph classification. In Proceedings of the AAAI Conference on Artificial Intelligence, volume 32, 2018.
[17]
Rex Ying, Jiaxuan You, Christopher Morris, Xiang Ren, William L Hamilton, and Jure Leskovec. Hierarchical graph representation learning with differentiable pooling. arXiv preprint arXiv:1806.08804, 2018.
[18]
Junhyun Lee, Inyeop Lee, and Jaewoo Kang. Self-attention graph pooling. In Kamalika Chaudhuri and Ruslan Salakhutdinov, editors, Proceedings of the 36th International Conference on Machine Learning. PMLR, 2019.
[19]
Keyulu Xu, Weihua Hu, Jure Leskovec, and Stefanie Jegelka. How powerful are graph neural networks? arXiv preprint arXiv:1810.00826, 2018.
[20]
Seongmin Ok. A graph similarity for deep learning. In Advances in Neural Information Processing Systems (NeurIPS) 33, pages 1–12. Curran Associates, Inc., 2020.
[21]
Wengong Jin, Regina Barzilay, and Tommi Jaakkola. Junction tree variational autoencoder for molecular graph generation. In International Conference on Machine Learning, pages 2323–2332. PMLR, 2018.
[22]
Wengong Jin, Regina Barzilay, and Tommi Jaakkola. Hierarchical generation of molecular graphs using structural motifs. In Proceedings of the 37th International Conference on Machine Learning (ICML), pages 4839–4848, 2020.
[23]
Jenny Liu, Aviral Kumar, Jimmy Ba, Jamie Kiros, and Kevin Swersky. Graph normalizing flows. In Advances in Neural Information Processing Systems (NeurIPS) 32, pages 13556–13566. Curran Associates, Inc., 2019.
[24]
Jiaxuan You, Bowen Liu, Rex Ying, Vijay Pande, and Jure Leskovec. Graph convolutional policy network for goal-directed molecular graph generation. In Advances in Neural Information Processing Systems (NeurIPS) 31, pages 6412–6422. Curran Associates, Inc., 2018.
[25]
Muhan Zhang and Yixin Chen. Link prediction based on graph neural networks. In Advances in Neural Information Processing Systems, pages 5165–5175, 2018.
[26]
William Hamilton, Rex Ying, and Jure Leskovec. Inductive representation learning on large graphs. In I. Guyon, U. V. Luxburg, S. Bengio, H. Wallach, R. Fergus, S. Vishwanathan, and R. Garnett, editors, Advances in Neural Information Processing Systems 30, pages 1024–1034. Curran Associates, Inc., 2017.
[27]
Haggai Maron, Heli Ben-Hamu, Nadav Shamir, and Yaron Lipman. Invariant and equivariant graph networks. In International Conference on Learning Representations, 2018.
[28]
Jiaxuan You, Rex Ying, and Jure Leskovec. Position-aware graph neural networks. In International Conference on Machine Learning, pages 7134–7143. PMLR, 2019.
[29]
Albert-László Barabási and Réka Albert. Emergence of scaling in random networks. science, 286(5439):509–512, 1999.
[30]
Lada A Adamic and Eytan Adar. Friends and neighbors on the web. Social networks, 25(3):211–230, 2003.
[31]
Tao Zhou, Linyuan Lü, and Yi-Cheng Zhang. Predicting missing links via local information. The European Physical Journal B, 71(4):623–630, 2009.
[32]
Leo Katz. A new status index derived from sociometric analysis. Psychometrika, 18(1):39–43, 1953.
[33]
Sergey Brin and Lawrence Page. Reprint of: The anatomy of a large-scale hypertextual web search engine. Computer networks, 56(18):3825–3833, 2012.
[34]
Glen Jeh and Jennifer Widom. Simrank: a measure of structural-context similarity. In Proceedings of the eighth ACM SIGKDD international conference on Knowledge discovery and data mining, pages 538–543, 2002.
[35]
Yehuda Koren, Robert Bell, and Chris Volinsky. Matrix factorization techniques for recommender systems. Computer, 42(8):30–37, 2009.
[36]
Bryan Perozzi, Rami Al-Rfou, and Steven Skiena. Deepwalk: Online learning of social representations. In Proceedings of the 20th ACM SIGKDD international conference on Knowledge discovery and data mining, pages 701–710, 2014.
[37]
Jiezhong Qiu, Yuxiao Dong, Hao Ma, Jian Li, Kuansan Wang, and Jie Tang. Network embedding as matrix factorization: Unifying deepwalk, line, pte, and node2vec. In Proceedings of the eleventh ACM international conference on web search and data mining, pages 459–467, 2018.
[38]
Tomas Mikolov, Kai Chen, Greg Corrado, and Jeffrey Dean. Efficient estimation of word representations in vector space. arXiv preprint arXiv:1301.3781, 2013.
[39]
Elena Zheleva and Lise Getoor. To join or not to join: The illusion of privacy in social networks with mixed public and private user profiles. In Proceedings of the 18th International Conference on World Wide Web, WWW '09, page 531–540, 2009.
[40]
Thomas N Kipf and Max Welling. Variational graph auto-encoders. arXiv preprint arXiv:1611.07308, 2016.
[41]
Weihua Hu, Matthias Fey, Marinka Zitnik, Yuxiao Dong, Hongyu Ren, Bowen Liu, Michele Catasta, and Jure Leskovec. Open graph benchmark: Datasets for machine learning on graphs. arXiv preprint arXiv:2005.00687, 2020.
[42]
Aditya Grover and Jure Leskovec. node2vec: Scalable feature learning for networks. In Proceedings of the 22nd ACM SIGKDD international conference on Knowledge discovery and data mining, pages 855–864, 2016.
[43]
Keyulu Xu, Chengtao Li, Yonglong Tian, Tomohiro Sonobe, Ken-ichi Kawarabayashi, and Stefanie Jegelka. Representation learning on graphs with jumping knowledge networks. In International Conference on Machine Learning, pages 5453–5462. PMLR, 2018.
[44]
Matthias Fey and Jan E. Lenssen. Fast graph representation learning with PyTorch Geometric. In ICLR Workshop on Representation Learning on Graphs and Manifolds, 2019.

Recommendations

Comments

Please enable JavaScript to view thecomments powered by Disqus.

Information & Contributors

Information

Published In

cover image Guide Proceedings
NIPS '21: Proceedings of the 35th International Conference on Neural Information Processing Systems
December 2021
30517 pages

Publisher

Curran Associates Inc.

Red Hook, NY, United States

Publication History

Published: 10 June 2024

Qualifiers

  • Research-article
  • Research
  • Refereed limited

Contributors

Other Metrics

Bibliometrics & Citations

Bibliometrics

Article Metrics

  • 0
    Total Citations
  • 0
    Total Downloads
  • Downloads (Last 12 months)0
  • Downloads (Last 6 weeks)0
Reflects downloads up to 22 Nov 2024

Other Metrics

Citations

View Options

View options

Media

Figures

Other

Tables

Share

Share

Share this Publication link

Share on social media