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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
Variational Label-Correlation Enhancement for Congestion Prediction Biao Liu Congyu Qiao Ning Xu Xin Geng Ziran Zhu Jun Yang 342 2 0 01 Aug 2023
Challenging the Myth of Graph Collaborative Filtering: a Reasoned and Reproducibility-driven Analysis Vito Walter Anelli Daniele Malitesta Claudio Pomo Alejandro Bellogín Tommaso Di Noia E. Sciascio 101 11 0 01 Aug 2023
Neural approximation of Wasserstein distance via a universal architecture for symmetric and factorwise group invariant functions Samantha Chen Yusu Wang 93 4 0 01 Aug 2023
DiffusAL: Coupling Active Learning with Graph Diffusion for Label-Efficient Node Classification Sandra Gilhuber Julian Busch Daniel Rotthues Christian M. m. Frey Thomas Seidl DiffM 92 1 0 31 Jul 2023
TFE-GNN: A Temporal Fusion Encoder Using Graph Neural Networks for Fine-grained Encrypted Traffic Classification Haozhen Zhang Le Yu Xi Xiao Qing Li F. Mercaldo Xiapu Luo Qixu Liu 80 54 0 31 Jul 2023
Graph Condensation for Inductive Node Representation Learning Xin Gao Tong Chen Yilong Zang Wentao Zhang Quoc Viet Hung Nguyen Kai Zheng Hongzhi Yin DD AI4CE 105 38 0 29 Jul 2023
Improvable Gap Balancing for Multi-Task Learning Yanqi Dai Nanyi Fei Zhiwu Lu 77 5 0 28 Jul 2023
Rotation-Invariant Random Features Provide a Strong Baseline for Machine Learning on 3D Point Clouds O. Melia Eric Jonas Rebecca Willett OOD 3DPC 73 3 0 27 Jul 2023
Graph-based Polyphonic Multitrack Music Generation Emanuele Cosenza Andrea Valenti D. Bacciu 57 4 0 27 Jul 2023
TimeGNN: Temporal Dynamic Graph Learning for Time Series Forecasting Nancy R. Xu Chrysoula Kosma Michalis Vazirgiannis AI4TS AI4CE 61 6 0 27 Jul 2023
Hypergraph Isomorphism Computation Yifan Feng Jiashu Han Shihui Ying Yue Gao 37 8 0 26 Jul 2023
Graph Neural Networks-based Hybrid Framework For Predicting Particle Crushing Strength Tongya Zheng Tianli Zhang Qingzheng Guan Wenjie Huang Zunlei Feng Min-Gyoo Song Chun-Yen Chen AI4CE 55 1 0 26 Jul 2023
Finding Money Launderers Using Heterogeneous Graph Neural Networks F. Johannessen Martin Jullum 52 7 0 25 Jul 2023
CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations Yili Chen Zhengyu Li Zheng Wan Hui Yu Xian Wei 66 1 0 25 Jul 2023
Transferability of Graph Neural Networks using Graphon and Sampling Theories A. Neuman J. Bramburger 52 1 0 25 Jul 2023
MARIO: Model Agnostic Recipe for Improving OOD Generalization of Graph Contrastive Learning Yun Zhu Haizhou Shi Zhenshuo Zhang Siliang Tang 132 9 0 24 Jul 2023
Learning Universal and Robust 3D Molecular Representations with Graph Convolutional Networks Shuo-feng Zhang Yang Liu Li Xie Lei Xie 3DV 26 0 0 24 Jul 2023
EchoGLAD: Hierarchical Graph Neural Networks for Left Ventricle Landmark Detection on Echocardiograms Masoud Mokhtari M. Mahdavi H. Vaseli C. Luong Purang Abolmaesumi T. Tsang Renjie Liao 48 2 0 23 Jul 2023
Learned Gridification for Efficient Point Cloud Processing P. A. V. D. Linden David W. Romero Erik J. Bekkers 3DPC 64 2 0 22 Jul 2023
Extracting Molecular Properties from Natural Language with Multimodal Contrastive Learning Romain Lacombe Andrew Gaut Jeff He D. Lüdeke Kateryna Pistunova 49 2 0 22 Jul 2023
Collaborative Graph Neural Networks for Attributed Network Embedding Qiaoyu Tan Xin Zhang Xiao Shi Huang Haojun Chen Jundong Li Helen Zhou 148 12 0 22 Jul 2023
Meta-Transformer: A Unified Framework for Multimodal Learning Yiyuan Zhang Kaixiong Gong Kaipeng Zhang Hongsheng Li Yu Qiao Wanli Ouyang Xiangyu Yue 105 150 0 20 Jul 2023
An Analysis of Bugs In Persistent Memory Application J. Hasan 21 0 0 19 Jul 2023
Uncertainty Quantification for Molecular Property Predictions with Graph Neural Architecture Search Shengli Jiang Shiyi Qin Reid C. Van Lehn Prasanna Balaprakash Victor M. Zavala AI4CE 94 7 0 19 Jul 2023
How Curvature Enhance the Adaptation Power of Framelet GCNs Dai Shi Yi Guo Zhiqi Shao Junbin Gao 66 14 0 19 Jul 2023
Curriculum Learning for Graph Neural Networks: A Multiview Competence-based Approach Nidhi Vakil Hadi Amiri 90 3 0 17 Jul 2023
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats Wei Chen Yihui Ren Ai Kagawa Matthew R. Carbone Sam Yen-Chi Chen ... Austin R. Clyde Arvind Ramanathan R. Stevens Hubertus Van Dam D. Lu OOD 75 2 0 17 Jul 2023
Graph Automorphism Group Equivariant Neural Networks Edward Pearce-Crump William J. Knottenbelt 91 1 0 15 Jul 2023
An Empirical Study of the Effectiveness of Using a Replay Buffer on Mode Discovery in GFlowNets Nikhil Vemgal Elaine Lau Doina Precup 91 13 0 15 Jul 2023
Graph Positional and Structural Encoder Semih Cantürk Renming Liu Olivier Lapointe-Gagné Vincent Létourneau Guy Wolf Dominique Beaini Ladislav Rampášek 83 18 0 14 Jul 2023
Multi-view self-supervised learning for multivariate variable-channel time series Thea Brusch Mikkel N. Schmidt T. S. Alstrøm BDL SSL AI4TS 53 7 0 13 Jul 2023
Frameless Graph Knowledge Distillation Dai Shi Zhiqi Shao Yi Guo Junbin Gao 76 4 0 13 Jul 2023
Differentially Private Decoupled Graph Convolutions for Multigranular Topology Protection Eli Chien Wei-Ning Chen Chao Pan Pan Li Ayfer Özgür O. Milenkovic 111 15 0 12 Jul 2023
Deep learning for dynamic graphs: models and benchmarks Alessio Gravina D. Bacciu GNN AI4CE 91 15 0 12 Jul 2023
Supervised Attention Using Homophily in Graph Neural Networks Michail Chatzianastasis Giannis Nikolentzos Michalis Vazirgiannis GNN 60 0 0 11 Jul 2023
Graph Convolutional Networks for Simulating Multi-phase Flow and Transport in Porous Media Jiamin Jiang B. Guo GNN AI4CE 60 0 0 10 Jul 2023
Parallel Algorithms Align with Neural Execution Valerie Engelmayer Dobrik Georgiev Petar Velickovic 129 8 0 08 Jul 2023
Polynomial Width is Sufficient for Set Representation with High-dimensional Features Peihao Wang Shenghao Yang Shu Li Zhangyang Wang Pan Li 109 4 0 08 Jul 2023
DyEdgeGAT: Dynamic Edge via Graph Attention for Early Fault Detection in IIoT Systems Meng J. Zhao Olga Fink 78 9 0 07 Jul 2023
Contrastive Graph Pooling for Explainable Classification of Brain Networks Jiaxing Xu Qingtian Bian Xinhang Li Aihu Zhang Yiping Ke Miao Qiao Wei Zhang Wei Khang Jeremy Sim Balázs Gulyás 69 3 0 07 Jul 2023
A Survey on Graph Neural Networks for Time Series: Forecasting, Classification, Imputation, and Anomaly Detection Ming Jin Huan Yee Koh Qingsong Wen Daniele Zambon Cesare Alippi G. I. Webb Irwin King Shirui Pan AI4TS AI4CE 130 175 0 07 Jul 2023
Exploring the Potential of Large Language Models (LLMs) in Learning on Graphs Zhikai Chen Haitao Mao Hang Li Wei Jin Haifang Wen ... Shuaiqiang Wang D. Yin Wenqi Fan Hui Liu Jiliang Tang AI4CE 162 288 0 07 Jul 2023
ACDNet: Attention-guided Collaborative Decision Network for Effective Medication Recommendation Jiacong Mi Yizhi Zu Zhuoyuan Wang Jieyue He 52 7 0 06 Jul 2023
Attentive Graph Enhanced Region Representation Learning Weiliang Chen Qian-nan Ren Jinbao Li AI4TS 68 2 0 06 Jul 2023
Towards Symmetry-Aware Generation of Periodic Materials Youzhi Luo Chengkai Liu Shuiwang Ji DiffM 104 25 0 06 Jul 2023
ChiENN: Embracing Molecular Chirality with Graph Neural Networks Piotr Gaiñski Michał Koziarski Jacek Tabor Marek Śmieja GNN 113 3 0 05 Jul 2023
A Neural Collapse Perspective on Feature Evolution in Graph Neural Networks Vignesh Kothapalli Tom Tirer Joan Bruna 89 13 0 04 Jul 2023
Euclidean Equivariant Models for Generative Graphical Inverse Kinematics Oliver Limoyo Filip Marić Matthew Giamou Petra Alexson Ivan Petrović Jonathan Kelly 42 2 0 04 Jul 2023
Identification of Causal Relationship between Amyloid-beta Accumulation and Alzheimer's Disease Progression via Counterfactual Inference Haixing Dai Mengxuan Hu Qing Li Lu Zhang Lin Zhao ... Manhua Liu Quanzheng Li Sheng Li Tianming Liu Xiang Li CML OOD 108 2 0 03 Jul 2023
PlanE: Representation Learning over Planar Graphs Radoslav Dimitrov Zeyang Zhao Ralph Abboud .Ismail .Ilkan Ceylan GNN 70 10 0 03 Jul 2023