Title
PyTorch Geometric Signed Directed: A Software Package on Graph Neural Networks for Signed and Directed Graphs Yixuan He Xitong Zhang Junjie Huang Benedek Rozemberczki Mihai Cucuringu G. Reinert 24 14 0 22 Feb 2022
Task-Agnostic Graph Explanations Yaochen Xie S. Katariya Xianfeng Tang E-Wen Huang Nikhil S. Rao Karthik Subbian Shuiwang Ji 40 25 0 16 Feb 2022
Self-Supervised Representation Learning via Latent Graph Prediction Yaochen Xie Zhao Xu Shuiwang Ji SSL 22 30 0 16 Feb 2022
TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery Zhaocheng Zhu Chence Shi Zuobai Zhang Shengchao Liu Minghao Xu ... Chang Ma Runcheng Liu Louis-Pascal Xhonneux Meng Qu Jian Tang OOD VLM MedIm 14 70 0 16 Feb 2022
ChemicalX: A Deep Learning Library for Drug Pair Scoring Benedek Rozemberczki Charles Tapley Hoyt A. Gogleva Piotr Grabowski Klas Karis ... Sebastian Nilsson M. Ughetto Yu-Chiang Frank Wang Tyler Derr Benjamin M. Gyori 15 25 0 10 Feb 2022
Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations Jaehyeong Jo Seul Lee Sung Ju Hwang DiffM 22 210 0 05 Feb 2022
GStarX: Explaining Graph Neural Networks with Structure-Aware Cooperative Games Shichang Zhang Yozen Liu Neil Shah Yizhou Sun FAtt 28 45 0 28 Jan 2022
Explaining GNN over Evolving Graphs using Information Flow Yazheng Liu Xi Zhang Sihong Xie FAtt 9 0 0 19 Nov 2021
Trustworthy AI: A Computational Perspective Haochen Liu Yiqi Wang Wenqi Fan Xiaorui Liu Yaxin Li Shaili Jain Yunhao Liu Anil K. Jain Jiliang Tang FaML 98 196 0 12 Jul 2021
Robust Counterfactual Explanations on Graph Neural Networks Mohit Bajaj Lingyang Chu Zihui Xue J. Pei Lanjun Wang P. C. Lam Yong Zhang OOD 37 96 0 08 Jul 2021
Graph Feature Gating Networks Wei Jin Xiaorui Liu Yao Ma Tyler Derr Charu C. Aggarwal Jiliang Tang 32 0 0 10 May 2021
PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models Benedek Rozemberczki P. Scherer Yixuan He G. Panagopoulos Alexander Riedel ... Oliver Kiss Ferenc Béres Guzmán López Nicolas Collignon Rik Sarkar AI4CE 27 199 0 15 Apr 2021
FedGraphNN: A Federated Learning System and Benchmark for Graph Neural Networks Chaoyang He Keshav Balasubramanian Emir Ceyani Carl Yang Han Xie ... Yu Rong P. Zhao Junzhou Huang M. Annavaram Salman Avestimehr FedML OOD 21 2 0 14 Apr 2021
Automated Machine Learning on Graphs: A Survey Ziwei Zhang Xin Eric Wang Wenwu Zhu 17 85 0 01 Mar 2021
Self-Supervised Learning of Graph Neural Networks: A Unified Review Yaochen Xie Zhao Xu Jingtun Zhang Zhengyang Wang Shuiwang Ji SSL 21 324 0 22 Feb 2021
On Explainability of Graph Neural Networks via Subgraph Explorations Hao Yuan Haiyang Yu Jie Wang Kang Li Shuiwang Ji FAtt 20 379 0 09 Feb 2021
Spherical Message Passing for 3D Graph Networks Yi Liu Limei Wang Meng Liu Xuan Zhang Bora Oztekin Shuiwang Ji GNN 22 197 0 09 Feb 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation Youzhi Luo Keqiang Yan Shuiwang Ji DRL 185 187 0 01 Feb 2021
GraphEBM: Molecular Graph Generation with Energy-Based Models Meng Liu Keqiang Yan Bora Oztekin Shuiwang Ji 22 84 0 31 Jan 2021
Deep Graph Generators: A Survey Faezeh Faez Yassaman Ommi M. Baghshah Hamid R. Rabiee GNN AI4CE 45 57 0 31 Dec 2020
Explainability in Graph Neural Networks: A Taxonomic Survey Hao Yuan Haiyang Yu Shurui Gui Shuiwang Ji 167 591 0 31 Dec 2020
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 191 633 0 29 Nov 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 224 1,337 0 12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 172 1,775 0 02 Mar 2017
Interaction Networks for Learning about Objects, Relations and Physics Peter W. Battaglia Razvan Pascanu Matthew Lai Danilo Jimenez Rezende Koray Kavukcuoglu AI4CE OCL PINN GNN 278 1,400 0 01 Dec 2016
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 250 3,236 0 24 Nov 2016