Neural Message Passing for Quantum Chemistry

4 April 2017

Justin Gilmer

Papers citing "Neural Message Passing for Quantum Chemistry"

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Title
EdgeNets:Edge Varying Graph Neural Networks Elvin Isufi Fernando Gama Alejandro Ribeiro GNN 31 81 0 21 Jan 2020
Learning to Control PDEs with Differentiable Physics Philipp Holl V. Koltun Nils Thuerey AI4CE PINN 46 185 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 18 272 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 38 128 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 31 351 0 18 Jan 2020
Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition S. Raschka Benjamin Kaufman AI4CE 28 67 0 17 Jan 2020
Siamese Graph Neural Networks for Data Integration E. Krivosheev Mattia Atzeni Katsiaryna Mirylenka P. Scotton Fabio Casati GNN 37 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 16 6 0 17 Jan 2020
Graph Attentional Autoencoder for Anticancer Hyperfood Prediction Guadalupe Gonzalez Shunwang Gong I. Laponogov Kirill Veselkov M. Bronstein GNN 34 3 0 16 Jan 2020
Estimating Aggregate Properties In Relational Networks With Unobserved Data Varun R. Embar S. Srinivasan Lise Getoor 22 0 0 16 Jan 2020
Relational State-Space Model for Stochastic Multi-Object Systems Fan Yang Ling Chen Fan Zhou Yusong Gao Wei Cao 33 8 0 13 Jan 2020
Intelligence, physics and information -- the tradeoff between accuracy and simplicity in machine learning Tailin Wu 19 1 0 11 Jan 2020
Understanding Graph Isomorphism Network for rs-fMRI Functional Connectivity Analysis Byung-Hoon Kim J. C. Ye AI4CE GNN 26 131 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 22 359 0 09 Jan 2020
Retrosynthesis Prediction with Conditional Graph Logic Network H. Dai Chengtao Li Connor W. Coley Bo Dai Le Song 31 178 0 06 Jan 2020
Automated Relational Meta-learning Huaxiu Yao Xian Wu Zhiqiang Tao Yaliang Li Bolin Ding Ruirui Li Z. Li 41 89 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 31 23 0 02 Jan 2020
Graph-FCN for image semantic segmentation Yi Lu Yaran Chen Dongbin Zhao Jianxin Chen GNN SSeg 22 124 0 02 Jan 2020
Improved Structural Discovery and Representation Learning of Multi-Agent Data Jennifer Hobbs Matthew Holbrook Nathan Frank Long Sha P. Lucey AI4TS 36 5 0 30 Dec 2019
Disentangling Trainability and Generalization in Deep Neural Networks Lechao Xiao Jeffrey Pennington S. Schoenholz 11 34 0 30 Dec 2019
A Gentle Introduction to Deep Learning for Graphs D. Bacciu Federico Errica Alessio Micheli Marco Podda AI4CE GNN 51 278 0 29 Dec 2019
Unsupervised Learning of Graph Hierarchical Abstractions with Differentiable Coarsening and Optimal Transport Tengfei Ma Jie Chen 30 24 0 24 Dec 2019
Learning Variable Ordering Heuristics for Solving Constraint Satisfaction Problems Wen Song Zhiguang Cao Jie Zhang Andrew Lim 27 33 0 23 Dec 2019
How Robust Are Graph Neural Networks to Structural Noise? James Fox S. Rajamanickam NoLa OOD 14 21 0 21 Dec 2019
A Fair Comparison of Graph Neural Networks for Graph Classification Federico Errica Marco Podda D. Bacciu Alessio Micheli FaML 18 437 0 20 Dec 2019
CoulGAT: An Experiment on Interpretability of Graph Attention Networks B. Gokden GNN 13 5 0 18 Dec 2019
Learning a Neural Solver for Multiple Object Tracking Guillem Brasó Laura Leal-Taixé VOT 34 394 0 16 Dec 2019
Knowledge-based Conversational Search Svitlana Vakulenko 22 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 25 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 21 13 0 13 Dec 2019
Graph Neural Networks for Decentralized Multi-Robot Path Planning Qingbiao Li Fernando Gama Alejandro Ribeiro Amanda Prorok 42 247 0 12 Dec 2019
Coloring graph neural networks for node disambiguation George Dasoulas Ludovic Dos Santos Kevin Scaman Aladin Virmaux 41 82 0 12 Dec 2019
A Variational-Sequential Graph Autoencoder for Neural Architecture Performance Prediction David Friede Jovita Lukasik Heiner Stuckenschmidt Margret Keuper GNN BDL DRL 25 8 0 11 Dec 2019
Small-footprint Keyword Spotting with Graph Convolutional Network Xi Chen Shouyi Yin Dandan Song P. Ouyang Leibo Liu Shaojun Wei 19 28 0 11 Dec 2019
NeuRoRA: Neural Robust Rotation Averaging Pulak Purkait Tat-Jun Chin Ian Reid 14 54 0 10 Dec 2019
JAX, M.D.: A Framework for Differentiable Physics S. Schoenholz E. D. Cubuk 11 37 0 09 Dec 2019
Conv-MPN: Convolutional Message Passing Neural Network for Structured Outdoor Architecture Reconstruction Fuyang Zhang Nelson Nauata Yasutaka Furukawa 3DV 28 58 0 04 Dec 2019
Continuous Graph Neural Networks Louis-Pascal Xhonneux Meng Qu Jian Tang GNN 27 150 0 02 Dec 2019
TeaNet: universal neural network interatomic potential inspired by iterative electronic relaxations So Takamoto S. Izumi Ju Li GNN 31 76 0 02 Dec 2019
Learning Domain-Independent Planning Heuristics with Hypergraph Networks William Shen Felipe W. Trevizan Sylvie Thiébaux 27 83 0 29 Nov 2019
Contrastive Learning of Structured World Models Thomas Kipf Elise van der Pol Max Welling OCL DRL 28 278 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 30 291 0 27 Nov 2019
SuperGlue: Learning Feature Matching with Graph Neural Networks Paul-Edouard Sarlin Daniel DeTone Tomasz Malisiewicz Andrew Rabinovich 3DPC OffRL 22 1,888 0 26 Nov 2019
On the Robustness of Deep Learning-predicted Contention Models for Network Calculus Fabien Geyer Steffen Bondorf OOD 22 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 30 20 0 21 Nov 2019
Knowledge Graph Entity Alignment with Graph Convolutional Networks: Lessons Learned M. Berrendorf Evgeniy Faerman Valentyn Melnychuk Volker Tresp T. Seidl GNN 22 15 0 19 Nov 2019
ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations Ekagra Ranjan Soumya Sanyal Partha P. Talukdar GNN 23 330 0 18 Nov 2019
Inductive Relation Prediction by Subgraph Reasoning Komal K. Teru E. Denis William L. Hamilton NAI AI4CE 29 388 0 16 Nov 2019
Improving Graph Neural Network Representations of Logical Formulae with Subgraph Pooling Mayank Agarwal Ibrahim Abdelaziz Cristina Cornelio Veronika Thost Lingfei Wu Kenneth D. Forbus Achille Fokoue NAI AI4CE GNN 106 36 0 15 Nov 2019
Hierarchical Graph Pooling with Structure Learning Zhen Zhang Jiajun Bu Martin Ester Jianfeng Zhang Chengwei Yao Zhi Yu Can Wang 30 174 0 14 Nov 2019