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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
AGHINT: Attribute-Guided Representation Learning on Heterogeneous Information Networks with Transformer Jinhui Yuan Shan Lu Peibo Duan Jieyue He 45 1 0 16 Apr 2024
Rethinking the Graph Polynomial Filter via Positive and Negative Coupling Analysis Haodong Wen Bodong Du Ruixun Liu Deyu Meng Xiangyong Cao 135 0 0 16 Apr 2024
Solving the Tree Containment Problem Using Graph Neural Networks A. Dushatskiy Esther Julien Leen Stougie L. Iersel 90 0 0 15 Apr 2024
Neighbour-level Message Interaction Encoding for Improved Representation Learning on Graphs Haimin Zhang Min Xu GNN 87 0 0 15 Apr 2024
RandAlign: A Parameter-Free Method for Regularizing Graph Convolutional Networks Haimin Zhang Min Xu 108 3 0 15 Apr 2024
Enhancing Code Vulnerability Detection via Vulnerability-Preserving Data Augmentation Shangqing Liu Wei Ma Jian-Xun Wang Xiaofei Xie Rui-Lin Feng Yang Liu AAML 64 7 0 15 Apr 2024
Clothes-Changing Person Re-Identification with Feasibility-Aware Intermediary Matching Jiahe Zhao Ruibing Hou Hong Chang Xinqian Gu Bingpeng Ma Shiguang Shan Xilin Chen 80 1 0 15 Apr 2024
HGFF: A Deep Reinforcement Learning Framework for Lifetime Maximization in Wireless Sensor Networks Xiaoxu Han Xin Mu Jinghui Zhong 34 0 0 11 Apr 2024
VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification Florian Sestak Lisa Schneckenreiter Johannes Brandstetter Sepp Hochreiter Andreas Mayr Günter Klambauer 110 12 0 10 Apr 2024
Graph Reinforcement Learning for Combinatorial Optimization: A Survey and Unifying Perspective Victor-Alexandru Darvariu Stephen Hailes Mirco Musolesi AI4CE 121 8 0 09 Apr 2024
PGTNet: A Process Graph Transformer Network for Remaining Time Prediction of Business Process Instances Keyvan Amiri Elyasi Han van der Aa Heiner Stuckenschmidt AI4TS 53 5 0 09 Apr 2024
Message Passing Variational Autoregressive Network for Solving Intractable Ising Models Qunlong Ma Zhi Ma Jinlong Xu Hairui Zhang Ming Gao 65 6 0 09 Apr 2024
Graph Vertex Embeddings: Distance, Regularization and Community Detection Radoslaw Nowak Adam Malkowski Daniel Cie'slak Piotr Sokól Pawel Wawrzyñski 49 0 0 09 Apr 2024
Object Dynamics Modeling with Hierarchical Point Cloud-based Representations Chanho Kim Fuxin Li AI4CE 3DPC 77 1 0 09 Apr 2024
Learning Heuristics for Transit Network Design and Improvement with Deep Reinforcement Learning Andrew Holliday A. El-geneidy Gregory Dudek 149 0 0 08 Apr 2024
CSA-Trans: Code Structure Aware Transformer for AST Saeyoon Oh Shin Yoo 95 1 0 07 Apr 2024
Spectral Graph Pruning Against Over-Squashing and Over-Smoothing Adarsh Jamadandi Celia Rubio-Madrigal R. Burkholz 110 5 0 06 Apr 2024
Spectral GNN via Two-dimensional (2-D) Graph Convolution Guoming Li Jian Yang Shangsong Liang Dongsheng Luo GNN 93 3 0 06 Apr 2024
Generalization Bounds for Message Passing Networks on Mixture of Graphons Sohir Maskey Gitta Kutyniok Ron Levie 104 6 0 04 Apr 2024
GeoT: Tensor Centric Library for Graph Neural Network via Efficient Segment Reduction on GPU Zhongming Yu Genghan Zhang Hanxian Huang Xin Chen Jishen Zhao GNN 85 0 0 03 Apr 2024
Virtual Sensor for Real-Time Bearing Load Prediction Using Heterogeneous Temporal Graph Neural Networks Mengjie Zhao C. Taal Stephan Baggerohr Olga Fink 52 4 0 02 Apr 2024
A Survey on Hypergraph Neural Networks: An In-Depth and Step-By-Step Guide Sunwoo Kim Soo Yong Lee Yue Gao Alessia Antelmi Mirko Polato Kijung Shin GNN AI4TS 88 23 0 01 Apr 2024
PyTorch Frame: A Modular Framework for Multi-Modal Tabular Learning Weihua Hu Yiwen Yuan Zecheng Zhang Akihiro Nitta Kaidi Cao Vid Kocijan J. Leskovec Matthias Fey LMTD 76 16 0 31 Mar 2024
DE-HNN: An effective neural model for Circuit Netlist representation Zhishang Luo Truong-Son Hy Puoya Tabaghi Donghyeon Koh Michael Defferrard Elahe Rezaei Ryan Carey William Rhett Davis Rajeev Jain Yusu Wang 87 6 0 30 Mar 2024
Graph Neural Aggregation-diffusion with Metastability Kaiyuan Cui Xinyan Wang Zicheng Zhang Weichen Zhao 108 2 0 29 Mar 2024
Molecular Generative Adversarial Network with Multi-Property Optimization Huidong Tang Chen Li Sayaka Kamei Yoshihiro Yamanishi Yasuhiko Morimoto 74 0 0 29 Mar 2024
How Does Message Passing Improve Collaborative Filtering? Mingxuan Ju William Shiao Zhichun Guo Yanfang Ye Yozen Liu Neil Shah Tong Zhao 84 5 0 27 Mar 2024
GeNet: A Graph Neural Network-based Anti-noise Task-Oriented Semantic Communication Paradigm Chunhang Zheng Kechao Cai 69 0 0 27 Mar 2024
Manufacturing Service Capability Prediction with Graph Neural Networks Yunqing Li Xiaorui Liu B. Starly 39 8 0 25 Mar 2024
A Unified CPU-GPU Protocol for GNN Training Yi-Chien Lin Gangda Deng Viktor Prasanna GNN 3DH 52 2 0 25 Mar 2024
Advancing Extrapolative Predictions of Material Properties through Learning to Learn Kohei Noda Araki Wakiuchi Yoshihiro Hayashi Ryo Yoshida AI4CE 59 0 0 25 Mar 2024
LSTTN: A Long-Short Term Transformer-based Spatio-temporal Neural Network for Traffic Flow Forecasting Qinyao Luo Silu He Xing Han Yuhan Wang Haifeng Li AI4TS 98 49 0 25 Mar 2024
ChebMixer: Efficient Graph Representation Learning with MLP Mixer Xiaoyan Kui Haonan Yan Qinsong Li Liming Chen Beiji Zou 59 0 0 25 Mar 2024
IS-Fusion: Instance-Scene Collaborative Fusion for Multimodal 3D Object Detection Junbo Yin Jianbing Shen Runnan Chen Wei Li Ruigang Yang Pascal Frossard Wenguan Wang 3DPC 128 35 0 22 Mar 2024
GTAGCN: Generalized Topology Adaptive Graph Convolutional Networks Sukhdeep Singh Anuj Sharma Vinod Kumar Chauhan 104 0 0 22 Mar 2024
NaNa and MiGu: Semantic Data Augmentation Techniques to Enhance Protein Classification in Graph Neural Networks Yi-Shan Lan Pin-Yu Chen Tsung-Yi Ho 59 0 0 21 Mar 2024
Knowledge-Enhanced Recommendation with User-Centric Subgraph Network Guangyi Liu Quanming Yao Yongqi Zhang Lei Chen 53 3 0 21 Mar 2024
Weisfeiler and Leman Go Loopy: A New Hierarchy for Graph Representational Learning Raffaele Paolino Sohir Maskey Pascal Welke Gitta Kutyniok 99 2 0 20 Mar 2024
Spatial-Temporal Graph Representation Learning for Tactical Networks Future State Prediction Junhua Liu Justin Albrethsen Lincoln Goh David Yau Kwan Hui Lim 37 2 0 20 Mar 2024
Graph Neural Network-based Multi-agent Reinforcement Learning for Resilient Distributed Coordination of Multi-Robot Systems Anthony Goeckner Yueyuan Sui Nicolas Martinet Xinliang Li Qi Zhu 90 0 0 19 Mar 2024
Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites Marko Petković J. M. Vicent‐Luna Vlado Menkovski Sofía Calero 56 0 0 19 Mar 2024
Contextualized Messages Boost Graph Representations Brian Godwin Lim Galvin Brice Lim Renzo Roel Tan Kazushi Ikeda AI4CE 154 2 0 19 Mar 2024
Graph Neural Networks for Learning Equivariant Representations of Neural Networks Miltiadis Kofinas Boris Knyazev Yan Zhang Yunlu Chen Gertjan J. Burghouts E. Gavves Cees G. M. Snoek David W. Zhang 114 37 0 18 Mar 2024
Circular Belief Propagation for Approximate Probabilistic Inference Vincent Bouttier R. Jardri S. Denéve 89 1 0 17 Mar 2024
Graph Unitary Message Passing Haiquan Qiu Yatao Bian Quanming Yao 83 2 0 17 Mar 2024
Neural Markov Random Field for Stereo Matching Tongfan Guan Chen Wang Yunchun Liu 3DV 70 26 0 17 Mar 2024
Edge Private Graph Neural Networks with Singular Value Perturbation Tingting Tang Yue Niu A. Avestimehr Murali Annavaram AAML 58 1 0 16 Mar 2024
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields Yi-Lun Liao Tess E. Smidt Abhishek Das DiffM AI4CE 63 12 0 14 Mar 2024
COSTREAM: Learned Cost Models for Operator Placement in Edge-Cloud Environments Roman Heinrich Carsten Binnig Harald Kornmayer Manisha Luthra 38 4 0 13 Mar 2024
Fast Inference of Removal-Based Node Influence Weikai Li Zhiping Xiao Xiao Luo Yizhou Sun AAML 85 1 0 13 Mar 2024