Which Hyperparameters to Optimise? An Investigation of Evolutionary
Hyperparameter Optimisation in Graph Neural Network For Molecular Property
Prediction

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Which Hyperparameters to Optimise? An Investigation of Evolutionary Hyperparameter Optimisation in Graph Neural Network For Molecular Property Prediction

13 April 2021

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Papers citing "Which Hyperparameters to Optimise? An Investigation of Evolutionary Hyperparameter Optimisation in Graph Neural Network For Molecular Property Prediction"

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Title
Structured Citation Trend Prediction Using Graph Neural Networks Daniel Cummings Marcel Nassar 71 27 0 06 Apr 2021
A Novel Genetic Algorithm with Hierarchical Evaluation Strategy for Hyperparameter Optimisation of Graph Neural Networks Yingfang Yuan Wenjun Wang George Macleod Coghill Wei Pang 52 15 0 22 Jan 2021
Warm Starting CMA-ES for Hyperparameter Optimization Masahiro Nomura Shuhei Watanabe Youhei Akimoto Yoshihiko Ozaki Masaki Onishi 72 42 0 13 Dec 2020
Optuna: A Next-generation Hyperparameter Optimization Framework Takuya Akiba Shotaro Sano Toshihiko Yanase Takeru Ohta Masanori Koyama 663 5,808 0 25 Jul 2019
Graph Convolutional Networks with EigenPooling Yao Ma Suhang Wang Charu C. Aggarwal Jiliang Tang GNN 181 334 0 30 Apr 2019
Analyzing Learned Molecular Representations for Property Prediction Kevin Kaichuang Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden ... Andrew Palmer Volker Settels Tommi Jaakkola K. Jensen Regina Barzilay 104 1,317 0 02 Apr 2019
A Comprehensive Survey on Graph Neural Networks Zonghan Wu Shirui Pan Fengwen Chen Guodong Long Chengqi Zhang Philip S. Yu FaML GNN AI4TS AI4CE 780 8,533 0 03 Jan 2019
How Powerful are Graph Neural Networks? Keyulu Xu Weihua Hu J. Leskovec Stefanie Jegelka GNN 243 7,653 0 01 Oct 2018
Adaptive Graph Convolutional Neural Networks Ruoyu Li Sheng Wang Feiyun Zhu Junzhou Huang GNN 130 757 0 10 Jan 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 337 1,827 0 02 Mar 2017
The CMA Evolution Strategy: A Tutorial N. Hansen 74 1,374 0 04 Apr 2016
Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 223 3,352 0 30 Sep 2015
Deep Convolutional Networks on Graph-Structured Data Mikael Henaff Joan Bruna Yann LeCun GNN 157 1,587 0 16 Jun 2015
Non-stochastic Best Arm Identification and Hyperparameter Optimization Kevin Jamieson Ameet Talwalkar 208 580 0 27 Feb 2015