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Shift-Robust Molecular Relational Learning with Causal Substructure

29 May 2023

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Papers citing "Shift-Robust Molecular Relational Learning with Causal Substructure"

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Title
Conditional Graph Information Bottleneck for Molecular Relational Learning Namkyeong Lee Dongmin Hyun Gyoung S. Na Sungwon Kim Junseok Lee Chanyoung Park 91 27 0 29 Apr 2023
Unified 2D and 3D Pre-Training of Molecular Representations Jinhua Zhu Yingce Xia Lijun Wu Shufang Xie Tao Qin Wen-gang Zhou Houqiang Li Tie-Yan Liu AI4CE 100 70 0 14 Jul 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 Wang Hanyu Wang Benjamin M. Gyori 61 25 0 10 Feb 2022
Discovering Invariant Rationales for Graph Neural Networks Yingmin Wu Xiang Wang An Zhang Xiangnan He Tat-Seng Chua OOD AI4CE 159 234 0 30 Jan 2022
Causal Attention for Interpretable and Generalizable Graph Classification Yongduo Sui Xiang Wang Jiancan Wu Min Lin Xiangnan He Tat-Seng Chua CML OOD 65 158 0 30 Dec 2021
OOD-GNN: Out-of-Distribution Generalized Graph Neural Network Haoyang Li Xin Eric Wang Ziwei Zhang Wenwu Zhu OODD OOD 72 104 0 07 Dec 2021
Augmentation-Free Self-Supervised Learning on Graphs Namkyeong Lee Junseok Lee Chanyoung Park 117 209 0 05 Dec 2021
Generalizing Graph Neural Networks on Out-Of-Distribution Graphs Shaohua Fan Xiao Wang Chuan Shi Peng Cui Bai Wang CML OOD OODD AI4CE 131 88 0 20 Nov 2021
Chemical-Reaction-Aware Molecule Representation Learning Hongwei Wang Weijian Li Xiaomeng Jin Kyunghyun Cho Heng Ji Jiawei Han Martin D. Burke 163 61 0 21 Sep 2021
On Explainability of Graph Neural Networks via Subgraph Explorations Hao Yuan Haiyang Yu Jie Wang Kang Li Shuiwang Ji FAtt 83 392 0 09 Feb 2021
Interventional Few-Shot Learning Zhongqi Yue Hanwang Zhang Qianru Sun Xiansheng Hua 93 233 0 28 Sep 2020
Causal Intervention for Weakly-Supervised Semantic Segmentation Dong Zhang Hanwang Zhang Jinhui Tang Xiansheng Hua Qianru Sun CML ISeg 103 454 0 26 Sep 2020
Drug-Drug Adverse Effect Prediction with Graph Co-Attention Andreea Deac Yu-Hsiang Huang Petar Velickovic Pietro Lio Jian Tang 79 80 0 02 May 2019
Graph Matching Networks for Learning the Similarity of Graph Structured Objects Yujia Li Chenjie Gu T. Dullien Oriol Vinyals Pushmeet Kohli 115 533 0 29 Apr 2019
GNNExplainer: Generating Explanations for Graph Neural Networks Rex Ying Dylan Bourgeois Jiaxuan You Marinka Zitnik J. Leskovec LLMAG 150 1,329 0 10 Mar 2019
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 257 7,695 0 01 Oct 2018
Learning deep representations by mutual information estimation and maximization R. Devon Hjelm A. Fedorov Samuel Lavoie-Marchildon Karan Grewal Phil Bachman Adam Trischler Yoshua Bengio SSL DRL 337 2,672 0 20 Aug 2018
Graph Attention Networks Petar Velickovic Guillem Cucurull Arantxa Casanova Adriana Romero Pietro Lio Yoshua Bengio GNN 481 20,233 0 30 Oct 2017
Neural Network-based Graph Embedding for Cross-Platform Binary Code Similarity Detection Xiaojun Xu Chang-rui Liu Qian Feng Heng Yin Le Song Basel Alomair GNN 71 583 0 22 Aug 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 598 7,488 0 04 Apr 2017
Categorical Reparameterization with Gumbel-Softmax Eric Jang S. Gu Ben Poole BDL 354 5,379 0 03 Nov 2016
The Concrete Distribution: A Continuous Relaxation of Discrete Random Variables Chris J. Maddison A. Mnih Yee Whye Teh BDL 198 2,537 0 02 Nov 2016
Semi-Supervised Classification with Graph Convolutional Networks Thomas Kipf Max Welling GNN SSL 659 29,154 0 09 Sep 2016