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Neural Message Passing for Quantum Chemistry

4 April 2017

Justin Gilmer

Papers citing "Neural Message Passing for Quantum Chemistry"

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Title
Inductive Relation Prediction by Subgraph Reasoning Komal K. Teru E. Denis William L. Hamilton NAI AI4CE 102 398 0 16 Nov 2019
Improving Graph Neural Network Representations of Logical Formulae with Subgraph Pooling Mayank Agarwal Ibrahim Abdelaziz Cristina Cornelio Veronika Thost Lingfei Wu Kenneth D. Forbus Achille Fokoue NAI AI4CE GNN 172 36 0 15 Nov 2019
Hierarchical Graph Pooling with Structure Learning Zhen Zhang Jiajun Bu Martin Ester Jianfeng Zhang Chengwei Yao Zhi Yu Can Wang 102 178 0 14 Nov 2019
SpiralNet++: A Fast and Highly Efficient Mesh Convolution Operator Shunwang Gong Lei Chen M. Bronstein Stefanos Zafeiriou 3DH 136 148 0 13 Nov 2019
The Deep Learning Revolution and Its Implications for Computer Architecture and Chip Design J. Dean 57 79 0 13 Nov 2019
A Hierarchy of Graph Neural Networks Based on Learnable Local Features M. Li Meng Dong Jiawei Zhou Alexander M. Rush AI4CE GNN 80 7 0 13 Nov 2019
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery Amanda J. Minnich K. McLoughlin Margaret J. Tse Jason Deng Andrew Weber ... Bharath Ramsundar T. Rush Stacie Calad-Thomson J. Brase Jonathan E. Allen 51 68 0 13 Nov 2019
Constant Curvature Graph Convolutional Networks Gregor Bachmann Gary Bécigneul O. Ganea GNN 117 138 0 12 Nov 2019
Composition-based Multi-Relational Graph Convolutional Networks Shikhar Vashishth Soumya Sanyal Vikram Nitin Partha P. Talukdar GNN 152 851 0 08 Nov 2019
Neural Graph Embedding Methods for Natural Language Processing Shikhar Vashishth GNN 66 9 0 08 Nov 2019
Graph Transformer Networks Seongjun Yun Minbyul Jeong Raehyun Kim Jaewoo Kang Hyunwoo J. Kim 161 991 0 06 Nov 2019
A Spectral Nonlocal Block for Neural Networks Lei Zhu Qi She Lidan Zhang Ping Guo 77 2 0 04 Nov 2019
Chirality Nets for Human Pose Regression Raymond A. Yeh Yuan-Ting Hu Alex Schwing 3DH 66 50 0 31 Oct 2019
PIC: Permutation Invariant Critic for Multi-Agent Deep Reinforcement Learning Iou-Jen Liu Raymond A. Yeh Alex Schwing 77 83 0 31 Oct 2019
Learning Transferable Graph Exploration H. Dai Yujia Li Chenglong Wang Rishabh Singh Po-Sen Huang Pushmeet Kohli 79 21 0 28 Oct 2019
Hyperbolic Graph Neural Networks Qi Liu Maximilian Nickel Douwe Kiela AI4CE GNN 75 381 0 28 Oct 2019
Diffusion Improves Graph Learning Johannes Klicpera Stefan Weißenberger Stephan Günnemann GNN 178 718 0 28 Oct 2019
Improving Graph Attention Networks with Large Margin-based Constraints Guangtao Wang Rex Ying Jing-ling Huang J. Leskovec 63 82 0 25 Oct 2019
Hierarchical Representation Learning in Graph Neural Networks with Node Decimation Pooling F. Bianchi Daniele Grattarola L. Livi Cesare Alippi 193 49 0 24 Oct 2019
Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules Benjamín Sánchez-Lengeling Jennifer N. Wei Brian K. Lee R. C. Gerkin Alán Aspuru-Guzik Alexander B. Wiltschko GNN 77 95 0 23 Oct 2019
Neural Execution of Graph Algorithms Petar Velickovic Rex Ying Matilde Padovano R. Hadsell Charles Blundell GNN 94 172 0 23 Oct 2019
Facial Expression Restoration Based on Improved Graph Convolutional Networks Zhilei Liu Le Li Yunpeng Wu Cuicui Zhang CVBM 69 22 0 23 Oct 2019
Active Learning for Graph Neural Networks via Node Feature Propagation Yuexin Wu Yichong Xu Aarti Singh Yiming Yang A. Dubrawski GNN AI4CE 101 65 0 16 Oct 2019
Deep Reinforcement Learning meets Graph Neural Networks: exploring a routing optimization use case Paul Almasan J. Suárez-Varela Krzysztof Rusek Pere Barlet-Ros A. Cabellos-Aparicio GNN AI4CE 123 191 0 16 Oct 2019
Generating valid Euclidean distance matrices Moritz Hoffmann Frank Noé 88 56 0 07 Oct 2019
Graph Few-shot Learning via Knowledge Transfer Huaxiu Yao Chuxu Zhang Ying Wei Meng Jiang Suhang Wang Junzhou Huang Nitesh Chawla Z. Li 135 168 0 07 Oct 2019
Irregular Convolutional Auto-Encoder on Point Clouds Yuhui Zhang G. Gutmann Konagaya Akihiko 3DPC 35 2 0 07 Oct 2019
Rethinking Kernel Methods for Node Representation Learning on Graphs Yu Tian Long Zhao Xi Peng Dimitris N. Metaxas 64 24 0 06 Oct 2019
On Universal Equivariant Set Networks Nimrod Segol Y. Lipman 3DPC 142 65 0 06 Oct 2019
Text Level Graph Neural Network for Text Classification Lianzhe Huang Dehong Ma Sujian Li Xiaodong Zhang Houfeng WANG GNN 114 263 0 06 Oct 2019
GENN: Predicting Correlated Drug-drug Interactions with Graph Energy Neural Networks Tengfei Ma Junyuan Shang Cao Xiao Jimeng Sun GNN 112 13 0 04 Oct 2019
Graph Analysis and Graph Pooling in the Spatial Domain M. Rahmani Maria Liakata GNN 59 3 0 03 Oct 2019
RouteNet: Leveraging Graph Neural Networks for network modeling and optimization in SDN Maik Ender Pawel Swierczynski Paul Almasan Paul Martin Knopp A. Cabellos-Aparicio GNN 75 248 0 03 Oct 2019
TransGCN:Coupling Transformation Assumptions with Graph Convolutional Networks for Link Prediction Ling Cai Bo Yan Gengchen Mai K. Janowicz Rui Zhu GNN 64 77 0 01 Oct 2019
Predicting materials properties without crystal structure: Deep representation learning from stoichiometry Rhys E. A. Goodall A. Lee 83 263 0 01 Oct 2019
On the Equivalence between Positional Node Embeddings and Structural Graph Representations Balasubramaniam Srinivasan Bruno Ribeiro 85 27 0 01 Oct 2019
Lane Attention: Predicting Vehicles' Moving Trajectories by Learning Their Attention over Lanes Jiacheng Pan Hongyi Sun Kecheng Xu Yifei Jiang Xiangquan Xiao Jiangtao Hu Jinghao Miao 68 37 0 29 Sep 2019
Quantum Graph Neural Networks Guillaume Verdon Trevor McCourt Enxhell Luzhnica Vikas Singh Stefan Leichenauer Jack Hidary GNN 87 107 0 26 Sep 2019
Universal Graph Transformer Self-Attention Networks Dai Quoc Nguyen T. Nguyen Dinh Q. Phung ViT 108 67 0 26 Sep 2019
GraphMix: Improved Training of GNNs for Semi-Supervised Learning Vikas Verma Meng Qu Kenji Kawaguchi Alex Lamb Yoshua Bengio Arno Solin Jian Tang 92 62 0 25 Sep 2019
Haar Graph Pooling Yu Guang Wang Ming Li Zheng Ma Guido Montúfar Xiaosheng Zhuang Yanan Fan GNN 68 8 0 25 Sep 2019
A Generative Model for Molecular Distance Geometry G. Simm José Miguel Hernández-Lobato GAN 108 108 0 25 Sep 2019
Dynamically Pruned Message Passing Networks for Large-Scale Knowledge Graph Reasoning Xiaoran Xu Wei Feng Yunsheng Jiang Xiaohui Xie Zhiqing Sun Zhihong Deng LRM 106 53 0 25 Sep 2019
Recurrent Independent Mechanisms Anirudh Goyal Alex Lamb Jordan Hoffmann Shagun Sodhani Sergey Levine Yoshua Bengio Bernhard Schölkopf 146 338 0 24 Sep 2019
Learning Universal Graph Neural Network Embeddings With Aid Of Transfer Learning Saurabh Verma Zhi-Li Zhang FedML GNN SSL 67 9 0 22 Sep 2019
Graph Convolutions over Constituent Trees for Syntax-Aware Semantic Role Labeling Diego Marcheggiani Ivan Titov GNN 49 39 0 21 Sep 2019
Graph Neural Networks for Image Understanding Based on Multiple Cues: Group Emotion Recognition and Event Recognition as Use Cases Xin Guo Luisa F. Polanía Bin Zhu C. Boncelet Kenneth Barner 83 28 0 19 Sep 2019
Graph Nets for Partial Charge Prediction Yuanqing Wang Josh Fass Chaya D. Stern Kun Luo J. Chodera GNN 38 17 0 17 Sep 2019
Learning Symbolic Physics with Graph Networks M. Cranmer Rui Xu Peter W. Battaglia S. Ho PINN AI4CE 283 86 0 12 Sep 2019
Spatial Graph Convolutional Networks Tomasz Danel Przemysław Spurek Jacek Tabor Marek Śmieja Lukasz Struski Agnieszka Słowik Lukasz Maziarka GNN 93 10 0 11 Sep 2019