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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
Neural 3D Morphable Models: Spiral Convolutional Networks for 3D Shape Representation Learning and Generation Giorgos Bouritsas Sergiy Bokhnyak Stylianos Ploumpis M. Bronstein Stefanos Zafeiriou MedIm 3DH 98 165 0 08 May 2019
Reinforced Genetic Algorithm Learning for Optimizing Computation Graphs Aditya Sanjay Paliwal Felix Gimeno Vinod Nair Yujia Li Miles Lubin Pushmeet Kohli Oriol Vinyals OffRL GNN 99 67 0 07 May 2019
Missing Data Imputation with Adversarially-trained Graph Convolutional Networks Indro Spinelli Simone Scardapane A. Uncini MedIm AI4CE 91 155 0 06 May 2019
Edge-labeling Graph Neural Network for Few-shot Learning Jongmin Kim Taesup Kim Sungwoong Kim Chang D. Yoo 104 457 0 04 May 2019
Stability and Generalization of Graph Convolutional Neural Networks Saurabh Verma Zhi-Li Zhang GNN MLT 124 159 0 03 May 2019
Drug-Drug Adverse Effect Prediction with Graph Co-Attention Andreea Deac Yu-Hsiang Huang Petar Velickovic Pietro Lio Jian Tang 99 81 0 02 May 2019
MixHop: Higher-Order Graph Convolutional Architectures via Sparsified Neighborhood Mixing Sami Abu-El-Haija Bryan Perozzi Amol Kapoor N. Alipourfard Kristina Lerman Hrayr Harutyunyan Greg Ver Steeg Aram Galstyan GNN 156 923 0 30 Apr 2019
Graph Convolutional Networks with EigenPooling Yao Ma Suhang Wang Charu C. Aggarwal Jiliang Tang GNN 185 337 0 30 Apr 2019
Advancing GraphSAGE with A Data-Driven Node Sampling Jihun Oh Kyunghyun Cho Joan Bruna 51 26 0 29 Apr 2019
Graph Matching Networks for Learning the Similarity of Graph Structured Objects Yujia Li Chenjie Gu T. Dullien Oriol Vinyals Pushmeet Kohli 128 536 0 29 Apr 2019
A Review of Modularization Techniques in Artificial Neural Networks Mohammed Amer Tomás Maul 93 82 0 29 Apr 2019
Graph Kernels: A Survey Giannis Nikolentzos Giannis Siglidis Michalis Vazirgiannis 145 125 0 27 Apr 2019
Neural Logic Machines Honghua Dong Jiayuan Mao Tian Lin Chong-Jun Wang Lihong Li Denny Zhou NAI LRM AI4CE 141 250 0 26 Apr 2019
D-VAE: A Variational Autoencoder for Directed Acyclic Graphs Muhan Zhang Shali Jiang Zhicheng Cui Roman Garnett Yixin Chen GNN BDL CML 118 203 0 24 Apr 2019
PAN: Path Integral Based Convolution for Deep Graph Neural Networks Zheng Ma Ming Li Yuguang Wang GNN 72 24 0 24 Apr 2019
DAG-GNN: DAG Structure Learning with Graph Neural Networks Yue Yu Jie Chen Tian Gao Mo Yu BDL CML GNN 94 490 0 22 Apr 2019
DDGK: Learning Graph Representations for Deep Divergence Graph Kernels Rami Al-Rfou Dustin Zelle Bryan Perozzi 52 57 0 21 Apr 2019
Graph Element Networks: adaptive, structured computation and memory Ferran Alet Adarsh K. Jeewajee Maria Bauzá Alberto Rodriguez Tomas Lozano-Perez L. Kaelbling AI4CE GNN 128 76 0 18 Apr 2019
DScribe: Library of Descriptors for Machine Learning in Materials Science Lauri Himanen M. Jäger Eiaki V. Morooka F. F. Canova Y. S. Ranawat D. Gao Patrick Rinke A. Foster 61 591 0 18 Apr 2019
edGNN: a Simple and Powerful GNN for Directed Labeled Graphs Guillaume Jaume An-phi Nguyen María Rodríguez Martínez Jean-Philippe Thiran M. Gabrani 69 22 0 18 Apr 2019
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks Jaechang Lim Seongok Ryu Kyubyong Park Yo Joong Choe Jiyeon Ham W. Kim GNN 22 5 0 17 Apr 2019
Self-Attention Graph Pooling Junhyun Lee Inyeop Lee Jaewoo Kang GNN 194 1,133 0 17 Apr 2019
Neural Message Passing for Multi-Label Classification Jack Lanchantin Arshdeep Sekhon Yanjun Qi 64 38 0 17 Apr 2019
Recurrent Space-time Graph Neural Networks Andrei Liviu Nicolicioiu Iulia Duta Marius Leordeanu GNN 128 45 0 11 Apr 2019
Reasoning Visual Dialogs with Structural and Partial Observations Zilong Zheng Wenguan Wang Siyuan Qi Song-Chun Zhu 128 117 0 11 Apr 2019
Just Jump: Dynamic Neighborhood Aggregation in Graph Neural Networks Matthias Fey GNN 66 47 0 09 Apr 2019
Semantic Graph Convolutional Networks for 3D Human Pose Regression Long Zhao Xi Peng Yu Tian Mubbasir Kapadia Dimitris N. Metaxas 3DH 110 514 0 06 Apr 2019
Structured agents for physical construction V. Bapst Alvaro Sanchez-Gonzalez Carl Doersch Kimberly L. Stachenfeld Pushmeet Kohli Peter W. Battaglia Jessica B. Hamrick AI4CE 133 99 0 05 Apr 2019
Neural Program Repair by Jointly Learning to Localize and Repair Marko Vasic Aditya Kanade Petros Maniatis David Bieber Rishabh Singh 72 132 0 03 Apr 2019
Analyzing Learned Molecular Representations for Property Prediction Kevin Kaichuang Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden ... Andrew Palmer Volker Settels Tommi Jaakkola K. Jensen Regina Barzilay 155 1,338 0 02 Apr 2019
Clique pooling for graph classification Enxhell Luzhnica Ben Day Pietro Lio GNN 195 36 0 31 Mar 2019
ImageGCN: Multi-Relational Image Graph Convolutional Networks for Disease Identification with Chest X-rays Chengsheng Mao Liang Yao Yuan Luo MedIm GNN 88 59 0 31 Mar 2019
Molecular geometry prediction using a deep generative graph neural network Elman Mansimov Omar Mahmood Seokho Kang Kyunghyun Cho 128 189 0 31 Mar 2019
Learning Discrete Structures for Graph Neural Networks Luca Franceschi Mathias Niepert Massimiliano Pontil X. He GNN 115 414 0 28 Mar 2019
A Survey on Graph Kernels Nils M. Kriege Fredrik D. Johansson Christopher Morris 155 423 0 28 Mar 2019
Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization Evan N. Feinberg Robert P. Sheridan E. Joshi Vijay S. Pande A. Cheng MedIm 43 17 0 28 Mar 2019
Batched Sparse Matrix Multiplication for Accelerating Graph Convolutional Networks Yusuke Nagasaka Akira Nukada Ryosuke Kojima Satoshi Matsuoka GNN 44 10 0 27 Mar 2019
Interoperability and machine-to-machine translation model with mappings to machine learning tasks Jacob Nilsson Fredrik Sandin J. Delsing AI4CE 63 18 0 26 Mar 2019
MeshGAN: Non-linear 3D Morphable Models of Faces Shiyang Cheng M. Bronstein Yuxiang Zhou I. Kotsia Maja Pantic Stefanos Zafeiriou CVBM 3DH GAN 72 81 0 25 Mar 2019
Uncertainty quantification of molecular property prediction with Bayesian neural networks Seongok Ryu Yongchan Kwon W. Kim BDL 62 18 0 20 Mar 2019
Visual Semantic Information Pursuit: A Survey Daqi Liu M. Bober J. Kittler 75 32 0 13 Mar 2019
Graph Colouring Meets Deep Learning: Effective Graph Neural Network Models for Combinatorial Problems Henrique Lemos Marcelo O. R. Prates Pedro H. C. Avelar Luís C. Lamb GNN 88 85 0 11 Mar 2019
GNNExplainer: Generating Explanations for Graph Neural Networks Rex Ying Dylan Bourgeois Jiaxuan You Marinka Zitnik J. Leskovec LLMAG 163 1,336 0 10 Mar 2019
Interpretable Deep Learning in Drug Discovery Kristina Preuer Günter Klambauer F. Rippmann Sepp Hochreiter Thomas Unterthiner 83 89 0 07 Mar 2019
Relational Pooling for Graph Representations R. Murphy Balasubramaniam Srinivasan Vinayak A. Rao Bruno Ribeiro GNN 157 262 0 06 Mar 2019
Fast Graph Representation Learning with PyTorch Geometric Matthias Fey J. E. Lenssen 3DH GNN 3DPC 310 4,375 0 06 Mar 2019
GraphVite: A High-Performance CPU-GPU Hybrid System for Node Embedding Zhaocheng Zhu Shizhen Xu Meng Qu Jian Tang GNN 117 114 0 02 Mar 2019
Differentiable Scene Graphs Moshiko Raboh Roei Herzig Gal Chechik Jonathan Berant Amir Globerson OCL 99 34 0 26 Feb 2019
EvolveGCN: Evolving Graph Convolutional Networks for Dynamic Graphs A. Pareja Giacomo Domeniconi Jie Chen Tengfei Ma Toyotaro Suzumura H. Kanezashi Tim Kaler Tao B. Schardl Charles E. Leisersen GNN 137 1,092 0 26 Feb 2019
Star-Transformer Qipeng Guo Xipeng Qiu Pengfei Liu Yunfan Shao Xiangyang Xue Zheng Zhang 96 265 0 25 Feb 2019