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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
Hierarchical Graph-to-Graph Translation for Molecules Wengong Jin Regina Barzilay Tommi Jaakkola 55 16 0 11 Jun 2019
Position-aware Graph Neural Networks Jiaxuan You Rex Ying J. Leskovec 104 498 0 11 Jun 2019
A Two-Step Graph Convolutional Decoder for Molecule Generation Xavier Bresson T. Laurent 78 61 0 08 Jun 2019
Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations Logan T. Ward Ben Blaiszik Ian Foster R. Assary B. Narayanan L. Curtiss AI4CE 56 40 0 07 Jun 2019
Cormorant: Covariant Molecular Neural Networks Brandon M. Anderson Truong-Son Hy Risi Kondor 139 426 0 06 Jun 2019
DEMO-Net: Degree-specific Graph Neural Networks for Node and Graph Classification Jun Wu Jingrui He Jiejun Xu GNN 163 201 0 05 Jun 2019
Break the Ceiling: Stronger Multi-scale Deep Graph Convolutional Networks Sitao Luan Mingde Zhao Xiao-Wen Chang Doina Precup GNN 86 157 0 05 Jun 2019
Exact Combinatorial Optimization with Graph Convolutional Neural Networks Maxime Gasse Didier Chételat Nicola Ferroni Laurent Charlin Andrea Lodi GNN CML 187 495 0 04 Jun 2019
Learning Transferable Cooperative Behavior in Multi-Agent Teams Akshat Agarwal Sumit Kumar Katia Sycara AI4CE 74 120 0 04 Jun 2019
Factor Graph Neural Network Zhen Zhang Fan Wu Wee Sun Lee GNN 60 18 0 03 Jun 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 164 211 0 02 Jun 2019
Pre-training of Graph Augmented Transformers for Medication Recommendation Junyuan Shang Tengfei Ma Cao Xiao Jimeng Sun 94 291 0 02 Jun 2019
Graph WaveNet for Deep Spatial-Temporal Graph Modeling Zonghan Wu Shirui Pan Guodong Long Jing Jiang Chengqi Zhang GNN AI4TS 99 2,208 0 31 May 2019
Explainability Techniques for Graph Convolutional Networks Federico Baldassarre Hossein Azizpour GNN FAtt 178 272 0 31 May 2019
Discriminative structural graph classification Younjoo Seo Andreas Loukas Nathanael Perraudin 77 19 0 31 May 2019
Rethinking Table Recognition using Graph Neural Networks S. Qasim Hassan Mahmood Faisal Shafait GNN LMTD 52 13 0 31 May 2019
All SMILES Variational Autoencoder Zaccary Alperstein Artem Cherkasov J. Rolfe DRL 74 38 0 30 May 2019
What Can Neural Networks Reason About? Keyulu Xu Jingling Li Mozhi Zhang S. Du Ken-ichi Kawarabayashi Stefanie Jegelka NAI AI4CE 110 248 0 30 May 2019
Graph Neural Tangent Kernel: Fusing Graph Neural Networks with Graph Kernels S. Du Kangcheng Hou Barnabás Póczós Ruslan Salakhutdinov Ruosong Wang Keyulu Xu 142 276 0 30 May 2019
Graph Normalizing Flows Jenny Liu Aviral Kumar Jimmy Ba J. Kiros Kevin Swersky BDL GNN AI4CE 93 165 0 30 May 2019
Neural Consciousness Flow Xiaoran Xu Wei Feng Zhiqing Sun Zhihong Deng GNN AI4CE 77 2 0 30 May 2019
Path-Augmented Graph Transformer Network Benson Chen Regina Barzilay Tommi Jaakkola ViT GNN 67 59 0 29 May 2019
On the equivalence between graph isomorphism testing and function approximation with GNNs Zhengdao Chen Soledad Villar Lei Chen Joan Bruna 116 283 0 29 May 2019
Strategies for Pre-training Graph Neural Networks Weihua Hu Bowen Liu Joseph Gomes Marinka Zitnik Percy Liang Vijay S. Pande J. Leskovec SSL AI4CE 133 1,419 0 29 May 2019
Hallucinating Optical Flow Features for Video Classification Yongyi Tang Lin Ma Lianqiang Zhou 49 19 0 28 May 2019
EEG-based Emotional Video Classification via Learning Connectivity Structure Soobeom Jang Seong-Eun Moon Jong-Seok Lee 31 16 0 28 May 2019
LatentGNN: Learning Efficient Non-local Relations for Visual Recognition Songyang Zhang Shipeng Yan Xuming He GNN 87 82 0 28 May 2019
Solving NP-Hard Problems on Graphs with Extended AlphaGo Zero Kenshi Abe Zijian Xu Issei Sato Masashi Sugiyama GNN AI4CE 82 55 0 28 May 2019
Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling Emmanuel Noutahi Dominique Beaini Julien Horwood Sébastien Giguère Prudencio Tossou AI4CE 177 34 0 28 May 2019
Representation Learning for Dynamic Graphs: A Survey Seyed Mehran Kazemi Rishab Goel Kshitij Jain I. Kobyzev Akshay Sethi Peter Forsyth Pascal Poupart AI4TS AI4CE GNN 105 464 0 27 May 2019
Incidence Networks for Geometric Deep Learning Marjan Albooyeh Daniele Bertolini Siamak Ravanbakhsh GNN 80 26 0 27 May 2019
Provably Powerful Graph Networks Haggai Maron Heli Ben-Hamu Hadar Serviansky Y. Lipman 148 583 0 27 May 2019
Graph Filtration Learning Christoph Hofer Florian Graf Bastian Rieck Marc Niethammer Roland Kwitt 125 102 0 27 May 2019
Sequential Graph Dependency Parser Sean Welleck Kyunghyun Cho 34 0 0 27 May 2019
Demand Forecasting from Spatiotemporal Data with Graph Networks and Temporal-Guided Embedding Doyup Lee Suehun Jung Yeongjae Cheon Dongil Kim Seungil You AI4TS 54 6 0 26 May 2019
Compositional Fairness Constraints for Graph Embeddings A. Bose William L. Hamilton FaML 116 259 0 25 May 2019
Approximation Ratios of Graph Neural Networks for Combinatorial Problems Ryoma Sato M. Yamada H. Kashima GNN 123 128 0 24 May 2019
Graph Representations for Higher-Order Logic and Theorem Proving Aditya Sanjay Paliwal Sarah M. Loos M. Rabe Kshitij Bansal Christian Szegedy AI4CE NoLa 202 98 0 24 May 2019
Revisiting Graph Neural Networks: All We Have is Low-Pass Filters Hoang NT Takanori Maehara GNN 146 434 0 23 May 2019
Factorised Neural Relational Inference for Multi-Interaction Systems Ezra Webb Ben Day Helena Andrés-Terré Pietro Lio AI4CE GNN 71 30 0 21 May 2019
Multi-hop Reading Comprehension across Multiple Documents by Reasoning over Heterogeneous Graphs Ming Tu Guangtao Wang Jing-ling Huang Yun Tang Xiaodong He Bowen Zhou 72 149 0 17 May 2019
Inferring Javascript types using Graph Neural Networks Jessica Schrouff Kai Wohlfahrt Bruno Marnette Liam Atkinson NAI GNN 58 7 0 16 May 2019
Function Space Pooling For Graph Convolutional Networks P. Corcoran GNN 177 3 0 15 May 2019
GMNN: Graph Markov Neural Networks Meng Qu Yoshua Bengio Jian Tang BDL GNN 85 294 0 15 May 2019
On Graph Classification Networks, Datasets and Baselines Enxhell Luzhnica Ben Day Pietro Lio GNN 66 19 0 12 May 2019
Are Powerful Graph Neural Nets Necessary? A Dissection on Graph Classification Ting-Li Chen Song Bian Yizhou Sun 110 88 0 11 May 2019
Graph U-Nets Hongyang Gao Shuiwang Ji AI4CE SSL SSeg GNN 140 1,095 0 11 May 2019
Language-Conditioned Graph Networks for Relational Reasoning Ronghang Hu Anna Rohrbach Trevor Darrell Kate Saenko 85 175 0 10 May 2019
Time-Series Event Prediction with Evolutionary State Graph Wenjie Hu Yang Yang Zilong You Zongtao Liu Xiang Ren AI4TS 45 1 0 10 May 2019
Adversarial Defense Framework for Graph Neural Network Shen Wang Zhengzhang Chen Jingchao Ni Xiao Yu Zhichun Li Haifeng Chen Philip S. Yu AAML GNN 71 28 0 09 May 2019