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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
Deep Learning for Automated Classification and Characterization of Amorphous Materials K. Swanson Shubhendu Trivedi Joshua Lequieu Kyle Swanson Risi Kondor 49 38 0 10 Sep 2019
Scene Recognition with Prototype-agnostic Scene Layout Gongwei Chen Xinhang Song Haitao Zeng Shuqiang Jiang 92 57 0 07 Sep 2019
Auto-GNN: Neural Architecture Search of Graph Neural Networks Kaixiong Zhou Qingquan Song Xiao Huang Helen Zhou GNN 128 186 0 07 Sep 2019
NEAR: Neighborhood Edge AggregatoR for Graph Classification Cheolhyeong Kim Haeseong Moon H. Hwang GNN 133 6 0 06 Sep 2019
Understanding Human Gaze Communication by Spatio-Temporal Graph Reasoning Lifeng Fan Wenguan Wang Siyuan Huang Xinyu Tang Song-Chun Zhu 92 110 0 04 Sep 2019
Deep Graph Library: A Graph-Centric, Highly-Performant Package for Graph Neural Networks Minjie Wang Da Zheng Zihao Ye Quan Gan Mufei Li ... Jiaqi Zhao Haotong Zhang Alex Smola Jinyang Li Zheng Zhang AI4CE GNN 307 763 0 03 Sep 2019
Logic and the $2$ -Simplicial Transformer James Clift D. Doryn Daniel Murfet James Wallbridge NAI 48 3 0 02 Sep 2019
Gated Graph Recursive Neural Networks for Molecular Property Prediction Hiroyuki Shindo Yuji Matsumoto GNN 80 16 0 31 Aug 2019
EnGN: A High-Throughput and Energy-Efficient Accelerator for Large Graph Neural Networks Shengwen Liang Ying Wang Cheng Liu Lei He Huawei Li Xiaowei Li GNN 91 136 0 31 Aug 2019
DialogueGCN: A Graph Convolutional Neural Network for Emotion Recognition in Conversation Deepanway Ghosal Navonil Majumder Soujanya Poria Niyati Chhaya Alexander Gelbukh 97 514 0 30 Aug 2019
STMARL: A Spatio-Temporal Multi-Agent Reinforcement Learning Approach for Cooperative Traffic Light Control Yanan Wang Tong Xu Xin Niu Chang Tan Enhong Chen Hui Xiong 98 8 0 28 Aug 2019
Tiered Graph Autoencoders with PyTorch Geometric for Molecular Graphs Daniel T. Chang AI4CE GNN 48 9 0 22 Aug 2019
Dynamic Graph Message Passing Networks Li Zhang Dan Xu Anurag Arnab Philip Torr GNN 102 138 0 19 Aug 2019
Message Passing for Complex Question Answering over Knowledge Graphs Svitlana Vakulenko J. D. F. Garcia A. Polleres Maarten de Rijke Michael Cochez 91 73 0 19 Aug 2019
Deep Weisfeiler-Lehman Assignment Kernels via Multiple Kernel Learning Nils M. Kriege 41 3 0 19 Aug 2019
Message Passing Attention Networks for Document Understanding Giannis Nikolentzos A. Tixier Michalis Vazirgiannis GNN 80 70 0 17 Aug 2019
Reinforcement Learning Based Graph-to-Sequence Model for Natural Question Generation Yu Chen Lingfei Wu Mohammed J Zaki GNN 97 156 0 14 Aug 2019
Progressive Relation Learning for Group Activity Recognition Guyue Hu Bo Cui Yuan He Shan Yu 90 81 0 08 Aug 2019
HATS: A Hierarchical Graph Attention Network for Stock Movement Prediction Raehyun Kim Chan Ho So Minbyul Jeong Sanghoon Lee Jinkyu Kim Jaewoo Kang AIFin 106 128 0 07 Aug 2019
Aligning Linguistic Words and Visual Semantic Units for Image Captioning Longteng Guo Jing Liu Jinhui Tang Jiangwei Li W. Luo Hanqing Lu 83 102 0 06 Aug 2019
Anti-Money Laundering in Bitcoin: Experimenting with Graph Convolutional Networks for Financial Forensics Mark Weber Giacomo Domeniconi Jie Chen D. Weidele Claudio Bellei Tom Robinson C. E. Leiserson 76 331 0 31 Jul 2019
GraphFlow: Exploiting Conversation Flow with Graph Neural Networks for Conversational Machine Comprehension Yu Chen Lingfei Wu Mohammed J Zaki 77 76 0 31 Jul 2019
InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization Fan-Yun Sun Jordan Hoffmann Vikas Verma Jian Tang SSL 177 868 0 31 Jul 2019
SceneGraphNet: Neural Message Passing for 3D Indoor Scene Augmentation Yang Zhou Zachary While E. Kalogerakis 3DPC 80 95 0 25 Jul 2019
Tripartite Heterogeneous Graph Propagation for Large-scale Social Recommendation KyungHyun Kim Donghyun Kwak Hanock Kwak Young-Jin Park Sangkwon Sim Jae-Han Cho Minkyu Kim Jihun Kwon Nako Sung Jung-Woo Ha 71 19 0 24 Jul 2019
IsoNN: Isomorphic Neural Network for Graph Representation Learning and Classification Lin Meng Jiawei Zhang GNN 69 19 0 22 Jul 2019
Image Classification with Hierarchical Multigraph Networks Boris Knyazev Xiaoyu Lin Mohamed R. Amer Graham W. Taylor GNN BDL 79 35 0 21 Jul 2019
Discrete Object Generation with Reversible Inductive Construction Ari Seff Wenda Zhou Farhan N. Damani A. Doyle Ryan P. Adams 64 30 0 18 Jul 2019
k-hop Graph Neural Networks Giannis Nikolentzos George Dasoulas Michalis Vazirgiannis 76 106 0 13 Jul 2019
Semi-Supervised Graph Embedding for Multi-Label Graph Node Classification Kaisheng Gao Jing Zhang Cangqi Zhou 36 8 0 12 Jul 2019
Graph Neural Based End-to-end Data Association Framework for Online Multiple-Object Tracking Xiaolong Jiang Peizhao Li Yanjing Li Xiantong Zhen VOT 77 33 0 11 Jul 2019
Understanding the Representation Power of Graph Neural Networks in Learning Graph Topology Nima Dehmamy Albert-László Barabási Rose Yu GNN 106 135 0 11 Jul 2019
Fast Haar Transforms for Graph Neural Networks Ming Li Zheng Ma Yu Guang Wang Xiaosheng Zhuang 83 77 0 10 Jul 2019
What graph neural networks cannot learn: depth vs width Andreas Loukas GNN 100 301 0 06 Jul 2019
Graph Neural Network for Interpreting Task-fMRI Biomarkers Xiaoxiao Li Nicha Dvornek Yuan Zhou Juntang Zhuang P. Ventola James S. Duncan 89 104 0 02 Jul 2019
Generative Models for Automatic Chemical Design Daniel Schwalbe-Koda Rafael Gómez-Bombarelli MedIm AI4CE 87 81 0 02 Jul 2019
Spectral Clustering with Graph Neural Networks for Graph Pooling F. Bianchi Daniele Grattarola Cesare Alippi GNN 139 40 0 30 Jun 2019
Certifiable Robustness and Robust Training for Graph Convolutional Networks Daniel Zügner Stephan Günnemann OffRL 85 163 0 28 Jun 2019
GNN-FiLM: Graph Neural Networks with Feature-wise Linear Modulation Marc Brockschmidt 118 141 0 28 Jun 2019
Fast Training of Sparse Graph Neural Networks on Dense Hardware Matej Balog B. V. Merrienboer Subhodeep Moitra Yujia Li Daniel Tarlow GNN 58 10 0 27 Jun 2019
Signed Graph Attention Networks Junjie Huang Huawei Shen Liang Hou Xueqi Cheng GNN 95 122 0 26 Jun 2019
Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective Chengqiang Lu Qi Liu Chao Wang Zhenya Huang Peize Lin Lixin He AI4CE 70 195 0 25 Jun 2019
Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctions Kristof T. Schütt M. Gastegger A. Tkatchenko K. Müller R. Maurer AI4CE 98 390 0 24 Jun 2019
Ego-CNN: Distributed, Egocentric Representations of Graphs for Detecting Critical Structures Ruo-Chun Tzeng Shan-Hung Wu GNN 59 13 0 23 Jun 2019
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models Guangyong Chen Pengfei Chen Chang-Yu Hsieh Chee-Kong Lee B. Liao ... J. Qiu Qiming Sun Jie Tang R. Zemel Shengyu Zhang 79 76 0 22 Jun 2019
Popularity Prediction on Social Platforms with Coupled Graph Neural Networks Qi Cao Huawei Shen Jinhua Gao Bingzheng Wei Xueqi Cheng GNN 64 136 0 21 Jun 2019
Graph Star Net for Generalized Multi-Task Learning H. Lu Seth H. Huang Tian Ye Xiuyan Guo GNN 85 46 0 21 Jun 2019
SMILES-X: autonomous molecular compounds characterization for small datasets without descriptors G. Lambard Ekaterina Gracheva 71 21 0 20 Jun 2019
Utilizing Edge Features in Graph Neural Networks via Variational Information Maximization Pengfei Chen Weiwen Liu Chang-Yu Hsieh Guangyong Chen Shengyu Zhang 90 21 0 13 Jun 2019
Learning Predicates as Functions to Enable Few-shot Scene Graph Prediction Apoorva Dornadula Austin Narcomey Ranjay Krishna Michael S. Bernstein Li Fei-Fei OCL 58 3 0 12 Jun 2019