Papers citing 'Convolutional Networks on Graphs for Learning Molecular Fingerprints'

Title
Self-Supervised Pretraining of Graph Neural Network for the Retrieval of Related Mathematical Expressions in Scientific Articles Lukas Pfahler K. Morik SSL 78 4 0 22 Aug 2022
MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras Alexander Kensert G. Desmet D. Cabooter 159 8 0 21 Aug 2022
MentorGNN: Deriving Curriculum for Pre-Training GNNsInternational Conference on Information and Knowledge Management (CIKM), 2022 Dawei Zhou Lecheng Zheng Dongqi Fu Jiawei Han Jingrui He 157 25 0 21 Aug 2022
Motif-based Graph Representation Learning with Application to Chemical Molecules Yifei Wang Shiyang Chen Guobin Chen Ethan Shurberg Hang Liu Pengyu Hong GNN 96 18 0 09 Aug 2022
Graph neural networks for materials science and chemistryCommunications Materials (Commun. Mater.), 2022 Patrick Reiser Marlen Neubert André Eberhard Luca Torresi Chen Zhou ... Houssam Metni Clint van Hoesel Henrik Schopmans T. Sommer Pascal Friederich GNN AI4CE 252 563 0 05 Aug 2022
Explaining Classifiers Trained on Raw Hierarchical Multiple-Instance Data Tomás Pevný Viliam Lisý B. Bosanský P. Somol Michal Pěchouček 239 1 0 04 Aug 2022
Physical Pooling Functions in Graph Neural Networks for Molecular Property PredictionComputers and Chemical Engineering (CCE), 2022 Artur M. Schweidtmann Jan G. Rittig Jana M. Weber Martin Grohe Manuel Dahmen K. Leonhard Alexander Mitsos 179 36 0 27 Jul 2022
Graph Neural Network and Spatiotemporal Transformer Attention for 3D Video Object Detection from Point CloudsIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2021 Junbo Yin Jianbing Shen Xin Gao David J. Crandall Ruigang Yang 3DPC ViT 200 76 0 26 Jul 2022
Graph neural networks for the prediction of molecular structure-property relationships Jan G. Rittig Qing-Bin Gao Manuel Dahmen Alexander Mitsos Artur M. Schweidtmann AI4CE 221 17 0 25 Jul 2022
Flowsheet synthesis through hierarchical reinforcement learning and graph neural networksAIChE Journal (AIChE J.), 2022 Laura Stops Roel Leenhouts Qitong Gao Artur M. Schweidtmann AI4CE 97 36 0 25 Jul 2022
Comprehensive Graph Gradual Pruning for Sparse Training in Graph Neural NetworksIEEE Transactions on Neural Networks and Learning Systems (TNNLS), 2022 Chuang Liu Xueqi Ma Yinbing Zhan Liang Ding Dapeng Tao Di Lin Wenbin Hu Danilo Mandic 172 43 0 18 Jul 2022
FunQG: Molecular Representation Learning Via Quotient GraphsJournal of Chemical Information and Modeling (JCIM), 2022 H. Hajiabolhassan Zahra Taheri Ali Hojatnia Yavar Taheri Yeganeh 77 12 0 18 Jul 2022
Contrastive Brain Network Learning via Hierarchical Signed Graph Pooling ModelIEEE Transactions on Neural Networks and Learning Systems (TNNLS), 2022 Haoteng Tang Guixiang Ma Lei Guo Xiyao Fu Heng-Chiao Huang Li Zhang 158 34 0 14 Jul 2022
Graph Property Prediction on Open Graph Benchmark: A Winning Solution by Graph Neural Architecture Search Xu Wang Huan Zhao Lanning Wei Quanming Yao AI4CE GNN 168 3 0 13 Jul 2022
Structural Inference of Networked Dynamical Systems with Universal Differential EquationsChaos (Chaos), 2022 James Koch Zhao Chen Aaron Tuor Ján Drgoňa D. Vrabie PINN 276 12 0 11 Jul 2022
Generalization Guarantee of Training Graph Convolutional Networks with Graph Topology SamplingInternational Conference on Machine Learning (ICML), 2022 Hongkang Li Ming Wang Sijia Liu Pin-Yu Chen Jinjun Xiong GNN 152 33 0 07 Jul 2022
Context-aware Self-supervised Learning for Medical Images Using Graph Neural Network Li Sun K. Yu Kayhan Batmanghelich SSL 106 1 0 06 Jul 2022
TREE-G: Decision Trees Contesting Graph Neural NetworksAAAI Conference on Artificial Intelligence (AAAI), 2022 Maya Bechler-Speicher Amir Globerson Ran Gilad-Bachrach 182 5 0 06 Jul 2022
Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance MatchingInternational Conference on Learning Representations (ICLR), 2022 Shengchao Liu Hongyu Guo Jian Tang 215 93 0 27 Jun 2022
Measuring and Improving the Use of Graph Information in Graph Neural Networks Buse Giledereli Jie M. Zhang James Cheng Kaili Ma Richard T. B. Ma Hongzhi Chen Ming Yang GNN 144 0 0 27 Jun 2022
Image Aesthetics Assessment Using Graph Attention NetworkInternational Conference on Pattern Recognition (ICPR), 2022 Koustav Ghosal A. Smolic 259 10 0 26 Jun 2022
Affinity-Aware Graph NetworksNeural Information Processing Systems (NeurIPS), 2022 A. Velingker A. Sinop Ira Ktena Petar Velickovic Sreenivas Gollapudi GNN 168 20 0 23 Jun 2022
Ordered Subgraph Aggregation NetworksNeural Information Processing Systems (NeurIPS), 2022 Chao Qian Gaurav Rattan Floris Geerts Christopher Morris Mathias Niepert 298 68 0 22 Jun 2022
Beyond Real-world Benchmark Datasets: An Empirical Study of Node Classification with GNNsNeural Information Processing Systems (NeurIPS), 2022 Seiji Maekawa Koki Noda Yuya Sasaki Makoto Onizuka 312 30 0 18 Jun 2022
Conditional Permutation Invariant Flows Berend Zwartsenberg Adam Scibior Matthew Niedoba Vasileios Lioutas Yunpeng Liu Justice Sefas Setareh Dabiri J. Lavington Trevor Campbell Frank Wood 105 9 0 17 Jun 2022
ComENet: Towards Complete and Efficient Message Passing for 3D Molecular GraphsNeural Information Processing Systems (NeurIPS), 2022 Limei Wang Lu Dong Yu-Ching Lin Hao Liu Shuiwang Ji GNN 239 112 0 17 Jun 2022
Evaluating Self-Supervised Learning for Molecular Graph EmbeddingsNeural Information Processing Systems (NeurIPS), 2022 Hanchen Wang Jean Kaddour Shengchao Liu Jian Tang Joan Lasenby Qi Liu 229 31 0 16 Jun 2022
Condensing Graphs via One-Step Gradient MatchingKnowledge Discovery and Data Mining (KDD), 2022 Wei Jin Xianfeng Tang Haoming Jiang Zheng Li Danqing Zhang Shucheng Zhou Bin Ying DD 235 125 0 15 Jun 2022
Feature Overcorrelation in Deep Graph Neural Networks: A New PerspectiveKnowledge Discovery and Data Mining (KDD), 2022 Wei Jin Xiaorui Liu Yao Ma Charu C. Aggarwal Shucheng Zhou 170 51 0 15 Jun 2022
A Survey : Neural Networks for AMR-to-Text Hongyu Hao Guangtong Li Zhiming Hu Huafeng Wang 157 1 0 15 Jun 2022
Universally Expressive Communication in Multi-Agent Reinforcement LearningNeural Information Processing Systems (NeurIPS), 2022 Matthew Morris Thomas D. Barrett Arnu Pretorius 257 5 0 14 Jun 2022
Analysis of function approximation and stability of general DNNs in directed acyclic graphs using un-rectifying analysis Wonjun Hwang Shih-Shuo Tung 128 4 0 13 Jun 2022
Synthetic Over-sampling for Imbalanced Node Classification with Graph Neural Networks Tianxiang Zhao Xiang Zhang Suhang Wang 158 7 0 10 Jun 2022
Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link PredictionNeural Information Processing Systems (NeurIPS), 2022 Seongjun Yun Seoyoon Kim Junhyun Lee Jaewoo Kang Hyunwoo J. Kim GNN 137 149 0 09 Jun 2022
A Simple yet Effective Method for Graph ClassificationInternational Joint Conference on Artificial Intelligence (IJCAI), 2022 Junran Wu Shangzhe Li Jianhao Li Yicheng Pan Keyulu Xu 226 28 0 06 Jun 2022
Efficient and Accurate Physics-aware Multiplex Graph Neural Networks for 3D Small Molecules and Macromolecule Complexes Shuo-feng Zhang Yang Liu Lei Xie GNN AI4CE 139 13 0 06 Jun 2022
An Unpooling Layer for Graph GenerationInternational Conference on Artificial Intelligence and Statistics (AISTATS), 2022 Yi Guo Dongmian Zou Gilad Lerman 150 3 0 04 Jun 2022
Shortest Path Networks for Graph Property PredictionLOG IN (LOG IN), 2022 Ralph Abboud Radoslav Dimitrov .Ismail .Ilkan Ceylan GNN 420 63 0 02 Jun 2022
Skeleton-based Action Recognition via Temporal-Channel Aggregation Shengqin Wang Yongji Zhang M. Zhao Hong Qi Kai Wang Fenglin Wei Yu-Gang Jiang 219 30 0 31 May 2022
Graph-level Neural Networks: Current Progress and Future Directions Ge Zhang Hongzhi Zhang Jian Yang Shan Xue Wenbin Hu Chuan Zhou Hao Peng Quan.Z Sheng Charu C. Aggarwal GNN AI4CE 162 0 0 31 May 2022
Temporal Multiresolution Graph Neural Networks For Epidemic Prediction Truong-Son Hy V. Nguyen Long Tran-Thanh Risi Kondor AI4TS AI4CE 253 13 0 30 May 2022
Going Deeper into Permutation-Sensitive Graph Neural NetworksInternational Conference on Machine Learning (ICML), 2022 Zhongyu Huang Yingheng Wang Chaozhuo Li Huiguang He 157 34 0 28 May 2022
MIP-GNN: A Data-Driven Framework for Guiding Combinatorial SolversAAAI Conference on Artificial Intelligence (AAAI), 2022 Elias Boutros Khalil Christopher Morris Andrea Lodi AI4CE 116 67 0 27 May 2022
Towards Faithful and Consistent Explanations for Graph Neural NetworksWeb Search and Data Mining (WSDM), 2022 Tianxiang Zhao Dongsheng Luo Xiang Zhang Suhang Wang FAtt 313 22 0 27 May 2022
How Powerful are K-hop Message Passing Graph Neural NetworksNeural Information Processing Systems (NeurIPS), 2022 Jiarui Feng Yixin Chen Fuhai Li Anindya Sarkar Muhan Zhang 231 145 0 26 May 2022
Compressing Deep Graph Neural Networks via Adversarial Knowledge DistillationKnowledge Discovery and Data Mining (KDD), 2022 Huarui He Jie Wang Zhanqiu Zhang Feng Wu 142 47 0 24 May 2022
A graph representation of molecular ensembles for polymer property predictionChemical Science (Chem. Sci.), 2022 Matteo Aldeghi Connor W. Coley AI4CE 229 67 0 17 May 2022
Trustworthy Graph Neural Networks: Aspects, Methods and TrendsProceedings of the IEEE (Proc. IEEE), 2022 He Zhang Bang Wu Lizhen Qu Shirui Pan Hanghang Tong Jian Pei 292 147 0 16 May 2022
COIN: Communication-Aware In-Memory Acceleration for Graph Convolutional NetworksIEEE Journal on Emerging and Selected Topics in Circuits and Systems (JESTCAS), 2022 Sumit K. Mandal Gokul Krishnan A. Alper Goksoy Gopikrishnan R. Nair Yu Cao Ümit Y. Ogras GNN 166 12 0 15 May 2022
Distribution-Aware Graph Representation Learning for Transient Stability Assessment of Power SystemIEEE International Joint Conference on Neural Network (IJCNN), 2022 Kaixuan Chen Shunyu Liu Na Yu Rong Yan Quan Zhang Mingli Song Zunlei Feng Weilong Dai OOD 133 5 0 12 May 2022