Neural Message Passing for Quantum Chemistry

4 April 2017

Justin Gilmer

Papers citing "Neural Message Passing for Quantum Chemistry"

50 / 3,528 papers shown

Title
A Generative Model for Molecular Distance Geometry G. Simm José Miguel Hernández-Lobato GAN 29 107 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 19 53 0 25 Sep 2019
Recurrent Independent Mechanisms Anirudh Goyal Alex Lamb Jordan Hoffmann Shagun Sodhani Sergey Levine Yoshua Bengio Bernhard Schölkopf 42 334 0 24 Sep 2019
Learning Universal Graph Neural Network Embeddings With Aid Of Transfer Learning Saurabh Verma Zhi-Li Zhang FedML GNN SSL 30 9 0 22 Sep 2019
Deep Message Passing on Sets Yifeng Shi Junier Oliva Marc Niethammer PINN 16 9 0 21 Sep 2019
Graph Convolutions over Constituent Trees for Syntax-Aware Semantic Role Labeling Diego Marcheggiani Ivan Titov GNN 19 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 24 28 0 19 Sep 2019
Graph Nets for Partial Charge Prediction Yuanqing Wang Josh Fass Chaya D. Stern Kun Luo J. Chodera GNN 14 17 0 17 Sep 2019
Learning Symbolic Physics with Graph Networks M. Cranmer Rui Xu Peter W. Battaglia S. Ho PINN AI4CE 191 84 0 12 Sep 2019
Spatial Graph Convolutional Networks Tomasz Danel Przemysław Spurek Jacek Tabor Marek Śmieja Lukasz Struski Agnieszka Słowik Lukasz Maziarka GNN 32 10 0 11 Sep 2019
Deep Learning for Automated Classification and Characterization of Amorphous Materials K. Swanson Shubhendu Trivedi Joshua Lequieu Kyle Swanson Risi Kondor 24 37 0 10 Sep 2019
Scene Recognition with Prototype-agnostic Scene Layout Gongwei Chen Xinhang Song Haitao Zeng Shuqiang Jiang 22 56 0 07 Sep 2019
Auto-GNN: Neural Architecture Search of Graph Neural Networks Kaixiong Zhou Qingquan Song Xiao Huang Xia Hu GNN 61 178 0 07 Sep 2019
NEAR: Neighborhood Edge AggregatoR for Graph Classification Cheolhyeong Kim Haeseong Moon H. Hwang GNN 19 6 0 06 Sep 2019
Powerset Convolutional Neural Networks Chris Wendler Dan Alistarh Markus Püschel GNN 26 19 0 05 Sep 2019
Understanding Human Gaze Communication by Spatio-Temporal Graph Reasoning Lifeng Fan Wenguan Wang Siyuan Huang Xinyu Tang Song-Chun Zhu 16 107 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-Wei Zhang AI4CE GNN 206 747 0 03 Sep 2019
Logic and the $2$ -Simplicial Transformer James Clift D. Doryn Daniel Murfet James Wallbridge NAI 21 3 0 02 Sep 2019
Gated Graph Recursive Neural Networks for Molecular Property Prediction Hiroyuki Shindo Yuji Matsumoto GNN 36 15 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 19 133 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 55 509 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 22 8 0 28 Aug 2019
AWB-GCN: A Graph Convolutional Network Accelerator with Runtime Workload Rebalancing Tong Geng Ang Li Runbin Shi Chunshu Wu Tianqi Wang ... Pouya Haghi Antonino Tumeo Shuai Che Steve Reinhardt Martin C. Herbordt GNN 27 8 0 23 Aug 2019
Tiered Graph Autoencoders with PyTorch Geometric for Molecular Graphs Daniel T. Chang AI4CE GNN 24 9 0 22 Aug 2019
Feature Interaction-aware Graph Neural Networks Kaize Ding Yichuan Li Jundong Li Chenghao Liu Huan Liu GNN 14 10 0 19 Aug 2019
Dynamic Graph Message Passing Networks Li Zhang Dan Xu Anurag Arnab Philip Torr GNN 21 138 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 8 72 0 19 Aug 2019
Deep Weisfeiler-Lehman Assignment Kernels via Multiple Kernel Learning Nils M. Kriege 24 3 0 19 Aug 2019
Message Passing Attention Networks for Document Understanding Giannis Nikolentzos A. Tixier Michalis Vazirgiannis GNN 30 67 0 17 Aug 2019
End-to-End Learning from Complex Multigraphs with Latent-Graph Convolutional Networks Floris Hermsen Peter Bloem Fabian Jansen W. Vos GNN BDL 19 1 0 14 Aug 2019
Reinforcement Learning Based Graph-to-Sequence Model for Natural Question Generation Yu Chen Lingfei Wu Mohammed J Zaki GNN 19 154 0 14 Aug 2019
Progressive Relation Learning for Group Activity Recognition Guyue Hu Bo Cui Yuan He Shan Yu 30 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 23 126 0 07 Aug 2019
Continuous Graph Flow Zhiwei Deng Megha Nawhal Lili Meng Greg Mori 29 3 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 30 102 0 06 Aug 2019
Sparse hierarchical representation learning on molecular graphs M. Bal Hagen Triendl Mariana Assmann M. Craig Lawrence Phillips J. Frost Usman Bashir Noor Shaker V. Stojevic GNN 16 1 0 06 Aug 2019
Hybrid Low-order and Higher-order Graph Convolutional Networks Fangyu Lei Xun Liu Qingyun Dai B. Ling Huimin Zhao Yan Liu GNN 27 16 0 02 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 22 318 0 31 Jul 2019
GraphFlow: Exploiting Conversation Flow with Graph Neural Networks for Conversational Machine Comprehension Yu Chen Lingfei Wu Mohammed J Zaki 27 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 50 844 0 31 Jul 2019
SceneGraphNet: Neural Message Passing for 3D Indoor Scene Augmentation Yang Zhou Zachary While E. Kalogerakis 3DPC 17 94 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 13 19 0 24 Jul 2019
IsoNN: Isomorphic Neural Network for Graph Representation Learning and Classification Lin Meng Jiawei Zhang GNN 13 18 0 22 Jul 2019
Image Classification with Hierarchical Multigraph Networks Boris Knyazev Xiaoyu Lin Mohamed R. Amer Graham W. Taylor GNN BDL 25 35 0 21 Jul 2019
Discrete Object Generation with Reversible Inductive Construction Ari Seff Wenda Zhou Farhan N. Damani A. Doyle Ryan P. Adams 24 30 0 18 Jul 2019
k-hop Graph Neural Networks Giannis Nikolentzos George Dasoulas Michalis Vazirgiannis 24 104 0 13 Jul 2019
Semi-Supervised Graph Embedding for Multi-Label Graph Node Classification Kaisheng Gao Jing Zhang Cangqi Zhou 27 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 37 32 0 11 Jul 2019
Understanding the Representation Power of Graph Neural Networks in Learning Graph Topology Nima Dehmamy Albert-László Barabási Rose Yu GNN 30 132 0 11 Jul 2019
Fast Haar Transforms for Graph Neural Networks Ming Li Zheng Ma Yu Guang Wang Xiaosheng Zhuang 33 74 0 10 Jul 2019