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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
TGNN: A Joint Semi-supervised Framework for Graph-level Classification Wei Ju Xiao Luo Meng Qu Yifan Wang C. L. Philip Chen Minghua Deng Xiansheng Hua Ming Zhang 88 35 0 23 Apr 2023
Graph Neural Networks for Text Classification: A Survey Kunze Wang Yihao Ding S. Han FaML GNN 99 29 0 23 Apr 2023
Medium. Permeation: SARS-COV-2 Painting Creation by Generative Model Yuanfu Yang Iuan-Kai Fang Min Sun S. Hsu MedIm 74 0 0 22 Apr 2023
What Do GNNs Actually Learn? Towards Understanding their Representations Giannis Nikolentzos Michail Chatzianastasis Michalis Vazirgiannis GNN AI4CE 63 1 0 21 Apr 2023
Schooling to Exploit Foolish Contracts Tamer Abdelaziz Aquinas Hobor 85 1 0 21 Apr 2023
Convergence of Message Passing Graph Neural Networks with Generic Aggregation On Large Random Graphs Matthieu Cordonnier Nicolas Keriven Nicolas M Tremblay Samuel Vaiter GNN 172 8 0 21 Apr 2023
Train Your Own GNN Teacher: Graph-Aware Distillation on Textual Graphs Costas Mavromatis V. Ioannidis Shen Wang Da Zheng Soji Adeshina Jun Ma Han Zhao Christos Faloutsos George Karypis 79 31 0 20 Apr 2023
Neurosymbolic Models for Computer Graphics Daniel E. Ritchie Paul Guerrero R. K. Jones Niloy J. Mitra Adriana Schulz Karl D. D. Willis Jiajun Wu 3DV 91 32 0 20 Apr 2023
Clustered-patch Element Connection for Few-shot Learning Jinxiang Lai Siqian Yang Junhong Zhou Wenlong Wu Xiao Chen Jun Liu Bin-Bin Gao Chengjie Wang 68 8 0 20 Apr 2023
Architectures of Topological Deep Learning: A Survey of Message-Passing Topological Neural Networks Mathilde Papillon Sophia Sanborn Mustafa Hajij Nina Miolane 3DV AI4CE 137 36 0 20 Apr 2023
Improving Graph Neural Networks on Multi-node Tasks with the Labeling Trick Xiyuan Wang Pan Li Muhan Zhang AI4CE 57 4 0 20 Apr 2023
TAP: A Comprehensive Data Repository for Traffic Accident Prediction in Road Networks Baixiang Huang Bryan Hooi Kai Shu 60 6 0 17 Apr 2023
EEGSN: Towards Efficient Low-latency Decoding of EEG with Graph Spiking Neural Networks Xi Chen Siwei Mai Konstantinos Michmizos GNN 56 0 0 15 Apr 2023
Temporal Aggregation and Propagation Graph Neural Networks for Dynamic Representation Tongya Zheng Xinchao Wang Zunlei Feng Mingli Song Yunzhi Hao Mingli Song Xingen Wang Xinyu Wang Chun-Yen Chen AI4TS 71 11 0 15 Apr 2023
DGNN-Booster: A Generic FPGA Accelerator Framework For Dynamic Graph Neural Network Inference Han-Chen Chen Cong Hao GNN AI4CE 89 9 0 13 Apr 2023
RadarGNN: Transformation Invariant Graph Neural Network for Radar-based Perception F. Fent Philipp Bauerschmidt Markus Lienkamp 76 18 0 13 Apr 2023
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model Chenru Duan Yuanqi Du Haojun Jia Heather J. Kulik DiffM 86 52 0 12 Apr 2023
Learning to Communicate and Collaborate in a Competitive Multi-Agent Setup to Clean the Ocean from Macroplastics P. D. Siedler AI4CE 60 0 0 12 Apr 2023
Dynamic Graph Representation Learning with Neural Networks: A Survey Leshanshui Yang Sébastien Adam Clément Chatelain AI4TS AI4CE 83 19 0 12 Apr 2023
Differentiable graph-structured models for inverse design of lattice materials Dominik Dold Derek Aranguren van Egmond AI4CE 78 13 0 11 Apr 2023
Feudal Graph Reinforcement Learning Tommaso Marzi Arshjot Khehra Andrea Cini Cesare Alippi 103 0 0 11 Apr 2023
Hyperbolic Geometric Graph Representation Learning for Hierarchy-imbalance Node Classification Xingcheng Fu Yuecen Wei Qingyun Sun Haonan Yuan Hongzhi Zhang Hao Peng Jianxin Li AI4CE 81 27 0 11 Apr 2023
A Comprehensive Survey on Deep Graph Representation Learning Wei Ju Zheng Fang Yiyang Gu Zequn Liu Qingqing Long ... Jingyang Yuan Yusheng Zhao Yifan Wang Xiao Luo Ming Zhang GNN AI4TS 188 163 0 11 Apr 2023
SELFormer: Molecular Representation Learning via SELFIES Language Models Atakan Yüksel Erva Ulusoy Atabey Ünlü Tunca Dogan 101 61 0 10 Apr 2023
PoseFusion: Robust Object-in-Hand Pose Estimation with SelectLSTM Yuyang Tu Junnan Jiang Shuang Li Norman Hendrich Miaopeng Li Jianwei Zhang 85 7 0 10 Apr 2023
Class-Imbalanced Learning on Graphs: A Survey Yihong Ma Yijun Tian Nuno Moniz Nitesh Chawla 90 22 0 09 Apr 2023
Adversarially Robust Neural Architecture Search for Graph Neural Networks Beini Xie Heng Chang Ziwei Zhang Xin Eric Wang Daixin Wang Qing Cui Rex Ying Wenwu Zhu AAML 72 16 0 09 Apr 2023
Audience Expansion for Multi-show Release Based on an Edge-prompted Heterogeneous Graph Network Kai Song Shaofeng Wang Ziwei Xie Shanyu Wang Jiahong Li Yongqiang Yang 37 0 0 08 Apr 2023
InstructBio: A Large-scale Semi-supervised Learning Paradigm for Biochemical Problems Fang Wu Huiling Qin Siyuan Li Stan Z. Li Xianyuan Zhan Jinbo Xu 80 5 0 08 Apr 2023
SPOT: Sequential Predictive Modeling of Clinical Trial Outcome with Meta-Learning Zifeng Wang Cao Xiao Jimeng Sun 79 19 0 07 Apr 2023
A new perspective on building efficient and expressive 3D equivariant graph neural networks Weitao Du Yuanqi Du Limei Wang Dieqiao Feng Guifeng Wang Shuiwang Ji Carla P. Gomes Zhixin Ma AI4CE 92 41 0 07 Apr 2023
Domain Generalization In Robust Invariant Representation Gauri Gupta Ritvik Kapila Keshav Gupta Ramesh Raskar OOD 64 0 0 07 Apr 2023
NMR shift prediction from small data quantities Herman Rull Markus Fischer S. Kuhn 37 11 0 06 Apr 2023
Inductive biases in deep learning models for weather prediction Jannik Thümmel Matthias Karlbauer S. Otte C. Zarfl Georg Martius ... Thomas Scholten Ulrich Friedrich V. Wulfmeyer B. Goswami Martin Volker Butz AI4CE 113 6 0 06 Apr 2023
Graph Mixture of Experts: Learning on Large-Scale Graphs with Explicit Diversity Modeling Haotao Wang Ziyu Jiang Yuning You Yan Han Gaowen Liu Jayanth Srinivasa Ramana Rao Kompella Zhangyang Wang 102 37 0 06 Apr 2023
Graph Representation Learning for Interactive Biomolecule Systems Xinye Xiong Bingxin Zhou Yu Guang Wang AI4CE GNN 210 0 0 05 Apr 2023
A Survey on Vertical Federated Learning: From a Layered Perspective Liu Yang Di Chai Junxue Zhang Yilun Jin Leye Wang Hao Liu Han Tian Qian Xu Kai Chen FedML 91 30 0 04 Apr 2023
Equivariant Parameter Sharing for Porous Crystalline Materials Marko Petković Pablo Romero-Marimon Vlado Menkovski Sofía Calero 52 1 0 04 Apr 2023
The expressive power of pooling in Graph Neural Networks F. Bianchi Veronica Lachi 64 33 0 04 Apr 2023
A Survey on Graph Diffusion Models: Generative AI in Science for Molecule, Protein and Material Mengchun Zhang Maryam Qamar Taegoo Kang Yuna Jung Chenshuang Zhang Sung-Ho Bae Chaoning Zhang DiffM MedIm 129 47 0 04 Apr 2023
Graph Mining for Cybersecurity: A Survey Bo Yan Cheng Yang Chuan Shi Yong Fang Qi Li Yanfang Ye Junping Du 92 15 0 02 Apr 2023
Abstractors and relational cross-attention: An inductive bias for explicit relational reasoning in Transformers Awni Altabaa Taylor Webb Jonathan D. Cohen John Lafferty 82 7 0 01 Apr 2023
E( $3$ ) Equivariant Graph Neural Networks for Particle-Based Fluid Mechanics Artur Toshev Gianluca Galletti Johannes Brandstetter Stefan Adami Nikolaus A. Adams 66 5 0 31 Mar 2023
MAGNNETO: A Graph Neural Network-based Multi-Agent system for Traffic Engineering Guillermo Bernárdez José Suárez-Varela Albert Lopez Xiang Shi Shihan Xiao Xiangle Cheng Pere Barlet-Ros A. Cabellos-Aparicio 77 24 0 31 Mar 2023
SuperDisco: Super-Class Discovery Improves Visual Recognition for the Long-Tail Yingjun Du Jiayi Shen Xiantong Zhen Cees G. M. Snoek 146 13 0 31 Mar 2023
Enhanced Stable View Synthesis Nishant Jain Suryansh Kumar Luc Van Gool 102 6 0 30 Mar 2023
A source separation approach to temporal graph modelling for computer networks Corentin Larroche 48 0 0 28 Mar 2023
Learning Harmonic Molecular Representations on Riemannian Manifold Yiqun Wang Yuning Shen Shih‐Ya Chen Lihao Wang Fei Ye Hao Zhou 97 12 0 27 Mar 2023
Object-Centric Relational Representations for Image Generation L. Butera Andrea Cini Alberto Ferrante Cesare Alippi OCL DiffM 72 0 0 26 Mar 2023
Neural Graph Reasoning: Complex Logical Query Answering Meets Graph Databases Hongyu Ren Mikhail Galkin Michael Cochez Zhaocheng Zhu J. Leskovec NAI GNN 122 38 0 26 Mar 2023