Neural Message Passing for Quantum Chemistry

4 April 2017

Justin Gilmer

Papers citing "Neural Message Passing for Quantum Chemistry"

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Title
Heterogeneous Graph Neural Networks for Extractive Document Summarization Danqing Wang Pengfei Liu Y. Zheng Xipeng Qiu Xuanjing Huang 12 277 0 26 Apr 2020
A Perspective on Deep Learning for Molecular Modeling and Simulations Jun Zhang Yao-Kun Lei Zhen Zhang Junhan Chang Maodong Li Xu Han Lijiang Yang Yue Yang Y. Gao AI4CE 42 8 0 25 Apr 2020
SIGN: Scalable Inception Graph Neural Networks Fabrizio Frasca Emanuele Rossi D. Eynard B. Chamberlain M. Bronstein Federico Monti GNN 30 393 0 23 Apr 2020
DeepPurpose: a Deep Learning Library for Drug-Target Interaction Prediction Kexin Huang Tianfan Fu Lucas Glass Marinka Zitnik Cao Xiao Jimeng Sun VLM 30 17 0 19 Apr 2020
Continuous Representation of Molecules Using Graph Variational Autoencoder Mohammadamin Tavakoli Pierre Baldi BDL GNN DRL 19 9 0 17 Apr 2020
Network Medicine Framework for Identifying Drug Repurposing Opportunities for COVID-19 D. Gysi Ì. Valle Marinka Zitnik Asher Ameli Xiao Gan ... D. Ghiassian R. Baron Helia Sanchez J. Loscalzo Albert-László Barabási 12 438 0 15 Apr 2020
Neural Status Registers Lukas Faber Roger Wattenhofer 33 9 0 15 Apr 2020
MxPool: Multiplex Pooling for Hierarchical Graph Representation Learning Yanyan Liang Yanfeng Zhang Dechao Gao Qian Xu GNN 22 4 0 15 Apr 2020
Reasoning Visual Dialog with Sparse Graph Learning and Knowledge Transfer Gi-Cheon Kang Junseok Park Hwaran Lee Byoung-Tak Zhang Jin-Hwa Kim VLM 20 10 0 14 Apr 2020
Toward Subgraph-Guided Knowledge Graph Question Generation with Graph Neural Networks Yu Chen Lingfei Wu Mohammed J Zaki 27 49 0 13 Apr 2020
Principal Neighbourhood Aggregation for Graph Nets Gabriele Corso Luca Cavalleri Dominique Beaini Pietro Lio Petar Velickovic GNN 27 655 0 12 Apr 2020
Robust Line Segments Matching via Graph Convolution Networks QuanMeng Ma Guang Jiang DianZhi Lai 6 8 0 10 Apr 2020
SpatialSim: Recognizing Spatial Configurations of Objects with Graph Neural Networks Laetitia Teodorescu Katja Hofmann Pierre-Yves Oudeyer 28 1 0 09 Apr 2020
The general theory of permutation equivarant neural networks and higher order graph variational encoders Erik H. Thiede Truong-Son Hy Risi Kondor 32 35 0 08 Apr 2020
Graph-to-Tree Neural Networks for Learning Structured Input-Output Translation with Applications to Semantic Parsing and Math Word Problem Shucheng Li Lingfei Wu Shiwei Feng Fangli Xu Fengyuan Xu Sheng Zhong AIMat 34 71 0 07 Apr 2020
Geometrically Principled Connections in Graph Neural Networks Shunwang Gong Mehdi Bahri M. Bronstein Stefanos Zafeiriou GNN AI4CE 19 21 0 06 Apr 2020
Let's Agree to Degree: Comparing Graph Convolutional Networks in the Message-Passing Framework Floris Geerts Filip Mazowiecki Guillermo A. Pérez GNN 29 38 0 06 Apr 2020
Typilus: Neural Type Hints Miltiadis Allamanis Earl T. Barr Soline Ducousso Zheng Gao 35 131 0 06 Apr 2020
Distinguish Confusing Law Articles for Legal Judgment Prediction Nuo Xu Pinghui Wang Long Chen Li Pan Xiaoyan Wang Junzhou Zhao AILaw 23 160 0 06 Apr 2020
GIANT: Scalable Creation of a Web-scale Ontology Bang Liu Weidong Guo Di Niu Jinwen Luo Chaoyue Wang Zhen Wen Yu-Syuan Xu 13 15 0 05 Apr 2020
Graph Sequential Network for Reasoning over Sequences Ming Tu Jing Huang Xiaodong He Bowen Zhou GNN 13 7 0 04 Apr 2020
LiDAR-based Online 3D Video Object Detection with Graph-based Message Passing and Spatiotemporal Transformer Attention Junbo Yin Jianbing Shen Chenye Guan Dingfu Zhou Ruigang Yang 3DPC 26 137 0 03 Apr 2020
OptTyper: Probabilistic Type Inference by Optimising Logical and Natural Constraints Irene Vlassi Pandi Earl T. Barr Andrew D. Gordon Charles Sutton 22 29 0 01 Apr 2020
Heterogeneous Network Representation Learning: A Unified Framework with Survey and Benchmark Carl Yang Yuxin Xiao Yu Zhang Yizhou Sun Jiawei Han AI4TS 52 57 0 01 Apr 2020
Shared Cross-Modal Trajectory Prediction for Autonomous Driving Chiho Choi Joon Hee Choi Srikanth Malla Jiachen Li 43 65 0 01 Apr 2020
Revisiting Over-smoothing in Deep GCNs Chaoqi Yang Ruijie Wang Shuochao Yao Shengzhong Liu Tarek Abdelzaher 34 95 0 30 Mar 2020
NPENAS: Neural Predictor Guided Evolution for Neural Architecture Search Chen Wei Chuang Niu Yiping Tang Yue Wang Haihong Hu Jimin Liang 30 7 0 28 Mar 2020
A Graph to Graphs Framework for Retrosynthesis Prediction Chence Shi Minkai Xu Hongyu Guo Ming Zhang Jian Tang 24 151 0 28 Mar 2020
SceneCAD: Predicting Object Alignments and Layouts in RGB-D Scans A. Avetisyan T. Khanova Chris Choy D. Dash Angela Dai Matthias Nießner 3DPC 32 63 0 27 Mar 2020
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning Marcel F. Langer Alex Goessmann M. Rupp AI4CE 33 92 0 26 Mar 2020
A Survey of Deep Learning for Scientific Discovery M. Raghu Erica Schmidt OOD AI4CE 50 120 0 26 Mar 2020
Bridging the Gap Between Spectral and Spatial Domains in Graph Neural Networks M. Balcilar G. Renton Pierre Héroux Benoit Gaüzère Sébastien Adam P. Honeine 21 60 0 26 Mar 2020
End-to-End Entity Classification on Multimodal Knowledge Graphs W. X. Wilcke Peter Bloem Victor de Boer R. V. Veer F. V. Harmelen 19 24 0 25 Mar 2020
ProGraML: Graph-based Deep Learning for Program Optimization and Analysis Chris Cummins Zacharias V. Fisches Tal Ben-Nun Torsten Hoefler Hugh Leather 90 56 0 23 Mar 2020
Distilling Knowledge from Graph Convolutional Networks Yiding Yang Jiayan Qiu Xiuming Zhang Dacheng Tao Xinchao Wang 166 226 0 23 Mar 2020
GeoGraph: Learning graph-based multi-view object detection with geometric cues end-to-end A. Nassar Stefano Dáronco Sébastien Lefèvre Jan Dirk Wegner ObjD 22 3 0 23 Mar 2020
Probabilistic Dual Network Architecture Search on Graphs Yiren Zhao Duo Wang Xitong Gao Robert D. Mullins Pietro Lio M. Jamnik GNN AI4CE 51 27 0 21 Mar 2020
Unsupervised Hierarchical Graph Representation Learning by Mutual Information Maximization Fei Ding Xiaohong Zhang Justin Sybrandt Ilya Safro SSL 21 6 0 18 Mar 2020
Scattering GCN: Overcoming Oversmoothness in Graph Convolutional Networks Yimeng Min Frederik Wenkel Guy Wolf GNN 31 109 0 18 Mar 2020
A Dynamic Reduction Network for Point Clouds L. Gray T. Klijnsma Shamik Ghosh 3DPC GNN 16 9 0 18 Mar 2020
A comprehensive study on the prediction reliability of graph neural networks for virtual screening Soojung Yang K. Lee Seongok Ryu 26 7 0 17 Mar 2020
Collaborative Motion Prediction via Neural Motion Message Passing Yue Hu Siheng Chen Ya Zhang Xiao Gu 27 103 0 14 Mar 2020
Evaluating Logical Generalization in Graph Neural Networks Koustuv Sinha Shagun Sodhani Joelle Pineau William L. Hamilton NAI AI4CE 38 23 0 14 Mar 2020
Automating Botnet Detection with Graph Neural Networks Jiawei Zhou Zhiying Xu Alexander M. Rush Minlan Yu GNN 26 72 0 13 Mar 2020
Adaptive Graph Convolutional Network with Attention Graph Clustering for Co-saliency Detection Kaihua Zhang Tengpeng Li Shiwen Shen Bo Liu Jin Chen Qingshan Liu 29 96 0 13 Mar 2020
Meta-Learning GNN Initializations for Low-Resource Molecular Property Prediction Cuong C. Nguyen Constantine Kreatsoulas K. Branson AI4CE 22 14 0 12 Mar 2020
Learning distributed representations of graphs with Geo2DR P. Scherer Pietro Lio GNN 19 4 0 12 Mar 2020
Learning Algebraic Multigrid Using Graph Neural Networks Ilay Luz Meirav Galun Haggai Maron Ronen Basri I. Yavneh 11 68 0 12 Mar 2020
Learning Diverse Fashion Collocation by Neural Graph Filtering Xin Liu Yongbin Sun Ziwei Liu Dahua Lin 34 26 0 11 Mar 2020
Hierarchical Human Parsing with Typed Part-Relation Reasoning Wenguan Wang Hailong Zhu Jifeng Dai Yanwei Pang Jianbing Shen Ling Shao 20 105 0 10 Mar 2020