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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
GenGNN: A Generic FPGA Framework for Graph Neural Network Acceleration Stefan Abi-Karam Yuqi He Rishov Sarkar Lakshmi Sathidevi Zihang Qiao Cong Hao GNN 31 16 0 20 Jan 2022
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Cross-Domain Few-Shot Graph Classification Kaveh Hassani 107 32 0 20 Jan 2022
Debiased Graph Neural Networks with Agnostic Label Selection Bias Shaohua Fan Xiao Wang Chuan Shi Kun Kuang Nian Liu Bai Wang AI4CE 105 39 0 19 Jan 2022
A Short Tutorial on The Weisfeiler-Lehman Test And Its Variants Ningyuan Huang Soledad Villar 79 64 0 18 Jan 2022
High-Level Synthesis Performance Prediction using GNNs: Benchmarking, Modeling, and Advancing Nan Wu Hang Yang Yuan Xie Pan Li Cong Hao 59 54 0 18 Jan 2022
Graph Neural Networks for Cross-Camera Data Association Elena Luna Juan C. Sanmiguel Jose M. Martínez Pablo Carballeira 60 21 0 17 Jan 2022
Edge-based Tensor prediction via graph neural networks Yang Zhong Hongyu Yu X. Gong H. Xiang 39 2 0 15 Jan 2022
Compact Graph Structure Learning via Mutual Information Compression Nian Liu Xiao Wang Lingfei Wu Yu Chen Xiaojie Guo Chuan Shi 84 46 0 14 Jan 2022
Training Free Graph Neural Networks for Graph Matching Zhiyuan Liu Yixin Cao Fuli Feng Xiang Wang Jie Tang Kenji Kawaguchi Tat-Seng Chua 67 0 0 14 Jan 2022
How Can Graph Neural Networks Help Document Retrieval: A Case Study on CORD19 with Concept Map Generation Hejie Cui Jiaying Lu Yao Ge Carl Yang 80 22 0 12 Jan 2022
Learning to Denoise Raw Mobile UI Layouts for Improving Datasets at Scale Gang Li Gilles Baechler Manuel Tragut Yang Li 89 49 0 11 Jan 2022
State Estimation in Electric Power Systems Leveraging Graph Neural Networks O. Kundacina M. Cosovic D. Vukobratović 52 23 0 11 Jan 2022
Graph Representation Learning for Multi-Task Settings: a Meta-Learning Approach Davide Buffelli Fabio Vandin AI4CE 74 7 0 10 Jan 2022
Supervised Contrastive Learning for Recommendation Chun Yang 71 40 0 10 Jan 2022
MGAE: Masked Autoencoders for Self-Supervised Learning on Graphs Qiaoyu Tan Ninghao Liu Xiao Shi Huang Rui Chen Soo-Hyun Choi Helen Zhou SSL 76 41 0 07 Jan 2022
Automated Graph Machine Learning: Approaches, Libraries, Benchmarks and Directions Xin Wang Ziwei Zhang Haoyang Li Wenwu Zhu 134 2 0 04 Jan 2022
CHERRY: a Computational metHod for accuratE pRediction of virus-pRokarYotic interactions using a graph encoder-decoder model Jiayu Shang Yanni Sun 16 46 0 04 Jan 2022
Neural combinatorial optimization beyond the TSP: Existing architectures under-represent graph structure Matteo Boffa Zied Ben-Houidi J. Krolikowski Dario Rossi GNN 121 7 0 03 Jan 2022
Zero-Shot Cost Models for Out-of-the-box Learned Cost Prediction Benjamin Hilprecht Carsten Binnig AI4TS 73 60 0 03 Jan 2022
Graph Neural Networks: a bibliometrics overview Abdalsamad Keramatfar Mohadeseh Rafiee Hossein Amirkhani GNN AI4CE 74 25 0 03 Jan 2022
KerGNNs: Interpretable Graph Neural Networks with Graph Kernels Aosong Feng Chenyu You Shiqiang Wang Leandros Tassiulas GNN 80 83 0 03 Jan 2022
Towards Robust Graph Neural Networks for Noisy Graphs with Sparse Labels Enyan Dai Wei Jin Hui Liu Suhang Wang NoLa 108 97 0 01 Jan 2022
Toward the Analysis of Graph Neural Networks Thanh-Dat Nguyen Thanh Le-Cong Thanh-Hung Nguyen X. Le Quyet-Thang Huynh GNN 41 3 0 01 Jan 2022
Distributed Hybrid CPU and GPU training for Graph Neural Networks on Billion-Scale Graphs Da Zheng Xiang Song Chengrun Yang Dominique LaSalle George Karypis 3DH GNN 102 58 0 31 Dec 2021
Knowledge Matters: Radiology Report Generation with General and Specific Knowledge Shuxin Yang Xian Wu Shen Ge S.Kevin Zhou Li Xiao MedIm 91 120 0 30 Dec 2021
Are we really making much progress? Revisiting, benchmarking, and refining heterogeneous graph neural networks Qingsong Lv Ming Ding Qiang Liu Yuxiang Chen Wenzheng Feng Siming He Chang Zhou Jianguo Jiang Yuxiao Dong Jie Tang 139 330 0 30 Dec 2021
Motif Graph Neural Network Xuexin Chen Ruichu Cai Yuan Fang Min-man Wu Zijian Li Zijian Li 74 23 0 30 Dec 2021
Graph Neural Networks for Communication Networks: Context, Use Cases and Opportunities José Suárez-Varela Paul Almasan Miquel Ferriol Galmés Krzysztof Rusek Fabien Geyer ... Xiang Shi Shihan Xiao F. Scarselli A. Cabellos-Aparicio Pere Barlet-Ros GNN AI4CE 80 60 0 29 Dec 2021
Designing the Topology of Graph Neural Networks: A Novel Feature Fusion Perspective Lanning Wei Huan Zhao Zhiqiang He AI4CE 81 44 0 29 Dec 2021
Deformable Graph Convolutional Networks Jinyoung Park Sungdong Yoo Jihwan Park Hyunwoo J. Kim GNN 132 13 0 29 Dec 2021
Graph Collaborative Reasoning H. Chen Yunqi Li Shaoyun Shi Shuchang Liu He Zhu Yongfeng Zhang LRM 124 29 0 27 Dec 2021
Learn Layer-wise Connections in Graph Neural Networks Lanning Wei Huan Zhao Zhiqiang He GNN 32 4 0 27 Dec 2021
A Survey on Interpretable Reinforcement Learning Claire Glanois Paul Weng Matthieu Zimmer Dong Li Tianpei Yang Jianye Hao Wulong Liu OffRL 121 107 0 24 Dec 2021
DeepGANTT: A Scalable Deep Learning Scheduler for Backscatter Networks Daniel F. Perez-Ramirez Carlos Pérez-Penichet N. Tsiftes Thiemo Voigt Dejan Kostic Magnus Boman GNN 25 5 0 24 Dec 2021
Self-Supervised Graph Representation Learning for Neuronal Morphologies Marissa A. Weis Laura Hansel Timo Lüddecke Alexander S. Ecker MedIm 84 8 0 23 Dec 2021
Revisiting Transformation Invariant Geometric Deep Learning: Are Initial Representations All You Need? Ziwei Zhang Xin Eric Wang Zeyang Zhang Peng Cui Wenwu Zhu 3DPC 58 6 0 23 Dec 2021
Toward Explainable AI for Regression Models S. Letzgus Patrick Wagner Jonas Lederer Wojciech Samek Klaus-Robert Muller G. Montavon XAI 97 67 0 21 Dec 2021
CGIBNet: Bandwidth-constrained Communication with Graph Information Bottleneck in Multi-Agent Reinforcement Learning Qi Tian Kun Kuang Baoxiang Wang Furui Liu Leilei Gan 78 0 0 20 Dec 2021
RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction Chao-chao Yan P. Zhao Chan Lu Yang Yu Junzhou Huang 75 22 0 20 Dec 2021
Weisfeiler and Leman go Machine Learning: The Story so far Christopher Morris Y. Lipman Haggai Maron Bastian Rieck Nils M. Kriege Martin Grohe Matthias Fey Karsten Borgwardt GNN 129 118 0 18 Dec 2021
Learning to Model the Relationship Between Brain Structural and Functional Connectomes Yang Li Gonzalo Mateos Zhengwu Zhang 54 11 0 18 Dec 2021
GNN-Geo: A Graph Neural Network-based Fine-grained IP geolocation Framework Shichang Ding Xiangyang Luo Jinwei Wang Xiaoming Fu 130 15 0 18 Dec 2021
Improving Subgraph Recognition with Variational Graph Information Bottleneck Junchi Yu Jie Cao Ran He 94 56 0 18 Dec 2021
Graph Convolutional Networks with Dual Message Passing for Subgraph Isomorphism Counting and Matching Xin Liu Yangqiu Song GNN 96 27 0 16 Dec 2021
Estimating Uncertainty For Vehicle Motion Prediction on Yandex Shifts Dataset Alexey Pustynnikov D. Eremeev 102 5 0 15 Dec 2021
AGMI: Attention-Guided Multi-omics Integration for Drug Response Prediction with Graph Neural Networks Ruiwei Feng Yufeng Xie Minshan Lai Benlin Liu Ji Cao Jian Wu 21 9 0 15 Dec 2021
Central-Smoothing Hypergraph Neural Networks for Predicting Drug-Drug Interactions Duc Anh Nguyen Canh Hao Nguyen Hiroshi Mamitsuka 21 8 0 15 Dec 2021
Graph Kernel Neural Networks Luca Cosmo G. Minello Alessandro Bicciato M. Bronstein Emanuele Rodolà Luca Rossi A. Torsello GNN 72 22 0 14 Dec 2021
A New Perspective on the Effects of Spectrum in Graph Neural Networks Mingqi Yang Yanming Shen Rui Li Heng Qi Qian Zhang Baocai Yin GNN 79 30 0 14 Dec 2021