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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
An Experimental Study of Formula Embeddings for Automated Theorem Proving in First-Order Logic Ibrahim Abdelaziz Veronika Thost Mayank Agarwal Achille Fokoue 61 6 0 02 Feb 2020
Molecule Property Prediction and Classification with Graph Hypernetworks Eliya Nachmani Lior Wolf GNN 54 15 0 01 Feb 2020
Hybrid Graph Neural Networks for Crowd Counting Ao Luo Fan Yang Xin Li Dong Nie Zhicheng Jiao Shangchen Zhou Hong Cheng 92 85 0 31 Jan 2020
Machine learning on DNA-encoded libraries: A new paradigm for hit-finding Kevin McCloskey E. Sigel S. Kearnes L. Xue Xia Tian ... C. Hupp Anthony D. Keefe Christopher J. Mulhern Ying Zhang Patrick F. Riley 102 106 0 31 Jan 2020
Goal-directed graph construction using reinforcement learning Victor-Alexandru Darvariu Stephen Hailes Mirco Musolesi 65 15 0 30 Jan 2020
MEMO: A Deep Network for Flexible Combination of Episodic Memories Andrea Banino Adria Puigdomenech Badia Raphael Köster Martin Chadwick V. Zambaldi Demis Hassabis Caswell Barry M. Botvinick D. Kumaran Charles Blundell KELM 84 35 0 29 Jan 2020
Tri-graph Information Propagation for Polypharmacy Side Effect Prediction Hao Xu Shengqi Sang Haiping Lu 37 14 0 28 Jan 2020
Revisiting Graph based Collaborative Filtering: A Linear Residual Graph Convolutional Network Approach Lei Chen Le Wu Richang Hong Kun Zhang Meng Wang GNN 96 504 0 28 Jan 2020
Deep Graph Matching Consensus Matthias Fey J. E. Lenssen Christopher Morris Jonathan Masci Nils M. Kriege 83 212 0 27 Jan 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 237 439 0 26 Jan 2020
From abstract items to latent spaces to observed data and back: Compositional Variational Auto-Encoder Victor Berger Michèle Sebag BDL CoGe DRL OCL 19 0 0 22 Jan 2020
EdgeNets:Edge Varying Graph Neural Networks Elvin Isufi Fernando Gama Alejandro Ribeiro GNN 97 82 0 21 Jan 2020
Learning to Control PDEs with Differentiable Physics Philipp Holl V. Koltun Nils Thuerey AI4CE PINN 87 189 0 21 Jan 2020
Zero-Shot Video Object Segmentation via Attentive Graph Neural Networks Wenguan Wang Xiankai Lu Jianbing Shen David J. Crandall Ling Shao VOS 91 274 0 19 Jan 2020
Learning Compositional Neural Information Fusion for Human Parsing Wenguan Wang Zhijie Zhang Siyuan Qi Jianbing Shen Yanwei Pang Ling Shao 3DH 195 128 0 19 Jan 2020
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning Kevin Maik Jablonka D. Ongari S. M. Moosavi B. Smit AI4CE 85 365 0 18 Jan 2020
Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition S. Raschka Benjamin Kaufman AI4CE 81 67 0 17 Jan 2020
Siamese Graph Neural Networks for Data Integration E. Krivosheev Mattia Atzeni Katsiaryna Mirylenka P. Scotton Fabio Casati GNN 48 13 0 17 Jan 2020
Cut-Based Graph Learning Networks to Discover Compositional Structure of Sequential Video Data Kyoung-Woon On Eun-Sol Kim Y. Heo Byoung-Tak Zhang BDL 52 6 0 17 Jan 2020
Graph Attentional Autoencoder for Anticancer Hyperfood Prediction Guadalupe Gonzalez Shunwang Gong I. Laponogov Kirill Veselkov M. Bronstein GNN 83 3 0 16 Jan 2020
Understanding Graph Isomorphism Network for rs-fMRI Functional Connectivity Analysis Byung-Hoon Kim J. C. Ye AI4CE GNN 93 133 0 10 Jan 2020
Spatial-Temporal Transformer Networks for Traffic Flow Forecasting Mingxing Xu Wenrui Dai Chunmiao Liu Xing Gao Weiyao Lin Guo-Jun Qi H. Xiong AI4TS 97 375 0 09 Jan 2020
Retrosynthesis Prediction with Conditional Graph Logic Network H. Dai Chengtao Li Connor W. Coley Bo Dai Le Song 94 183 0 06 Jan 2020
Automated Relational Meta-learning Huaxiu Yao Xian Wu Zhiqiang Tao Yaliang Li Bolin Ding Ruirui Li Z. Li 97 90 0 03 Jan 2020
Graph Signal Processing -- Part III: Machine Learning on Graphs, from Graph Topology to Applications Ljubisa Stankovic Danilo P. Mandic M. Daković M. Brajović Bruno Scalzo Shengxi Li A. Constantinides 91 23 0 02 Jan 2020
Graph-FCN for image semantic segmentation Yi Lu Yaran Chen Dongbin Zhao Jianxin Chen GNN SSeg 70 126 0 02 Jan 2020
Disentangling Trainability and Generalization in Deep Neural Networks Lechao Xiao Jeffrey Pennington S. Schoenholz 82 34 0 30 Dec 2019
A Gentle Introduction to Deep Learning for Graphs D. Bacciu Federico Errica Alessio Micheli Marco Podda AI4CE GNN 135 281 0 29 Dec 2019
Unsupervised Learning of Graph Hierarchical Abstractions with Differentiable Coarsening and Optimal Transport Tengfei Ma Jie Chen 71 25 0 24 Dec 2019
Learning Variable Ordering Heuristics for Solving Constraint Satisfaction Problems Wen Song Zhiguang Cao Jie Zhang Andrew Lim 72 34 0 23 Dec 2019
How Robust Are Graph Neural Networks to Structural Noise? James Fox S. Rajamanickam NoLa OOD 75 22 0 21 Dec 2019
A Fair Comparison of Graph Neural Networks for Graph Classification Federico Errica Marco Podda D. Bacciu Alessio Micheli FaML 168 449 0 20 Dec 2019
Learning a Neural Solver for Multiple Object Tracking Guillem Brasó Laura Leal-Taixé VOT 106 402 0 16 Dec 2019
Knowledge-based Conversational Search Svitlana Vakulenko 59 13 0 14 Dec 2019
Estimating Early Fundraising Performance of Innovations via Graph-based Market Environment Model Likang Wu Zhi Li Hongke Zhao Zhen Pan Qi Liu Enhong Chen 62 19 0 14 Dec 2019
From Shallow to Deep Interactions Between Knowledge Representation, Reasoning and Machine Learning (Kay R. Amel group) Zied Bouraoui Antoine Cornuéjols Thierry Denoeux Sebastien Destercke Didier Dubois ... Jérôme Mengin H. Prade Steven Schockaert M. Serrurier Christel Vrain 128 14 0 13 Dec 2019
Graph Neural Networks for Decentralized Multi-Robot Path Planning Qingbiao Li Fernando Gama Alejandro Ribeiro Amanda Prorok 105 248 0 12 Dec 2019
Coloring graph neural networks for node disambiguation George Dasoulas Ludovic Dos Santos Kevin Scaman Aladin Virmaux 95 82 0 12 Dec 2019
Small-footprint Keyword Spotting with Graph Convolutional Network Xi Chen Shouyi Yin Dandan Song P. Ouyang Leibo Liu Shaojun Wei 64 28 0 11 Dec 2019
NeuRoRA: Neural Robust Rotation Averaging Pulak Purkait Tat-Jun Chin Ian Reid 68 54 0 10 Dec 2019
JAX, M.D.: A Framework for Differentiable Physics S. Schoenholz E. D. Cubuk 65 38 0 09 Dec 2019
Conv-MPN: Convolutional Message Passing Neural Network for Structured Outdoor Architecture Reconstruction Fuyang Zhang Nelson Nauata Yasutaka Furukawa 3DV 110 58 0 04 Dec 2019
Continuous Graph Neural Networks Louis-Pascal Xhonneux Meng Qu Jian Tang GNN 105 156 0 02 Dec 2019
TeaNet: universal neural network interatomic potential inspired by iterative electronic relaxations So Takamoto S. Izumi Ju Li GNN 65 80 0 02 Dec 2019
Contrastive Learning of Structured World Models Thomas Kipf Elise van der Pol Max Welling OCL DRL 132 285 0 27 Nov 2019
Multi-Range Attentive Bicomponent Graph Convolutional Network for Traffic Forecasting Weiqiu Chen Ling Chen Yu Xie Wei Cao Yusong Gao Xiaojie Feng AI4TS 80 298 0 27 Nov 2019
SuperGlue: Learning Feature Matching with Graph Neural Networks Paul-Edouard Sarlin Daniel DeTone Tomasz Malisiewicz Andrew Rabinovich 3DPC OffRL 193 1,958 0 26 Nov 2019
On the Robustness of Deep Learning-predicted Contention Models for Network Calculus Fabien Geyer Steffen Bondorf OOD 200 8 0 24 Nov 2019
Discrete and Continuous Deep Residual Learning Over Graphs Pedro H. C. Avelar Anderson R. Tavares Marco Gori Luís C. Lamb GNN 67 20 0 21 Nov 2019
ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations Ekagra Ranjan Soumya Sanyal Partha P. Talukdar GNN 193 337 0 18 Nov 2019