Polymers for Extreme Conditions Designed Using Syntax-Directed
Variational Autoencoders

Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders

4 November 2020

Will R. Gutekunst

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Papers citing "Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders"

16 / 16 papers shown

Title
Decision-Making with Auto-Encoding Variational Bayes Romain Lopez Pierre Boyeau Nir Yosef Michael I. Jordan Jeffrey Regier BDL 510 10,591 0 17 Feb 2020
Hierarchical Generation of Molecular Graphs using Structural Motifs Wengong Jin Regina Barzilay Tommi Jaakkola 83 288 0 08 Feb 2020
Optimization of Molecules via Deep Reinforcement Learning Zhenpeng Zhou S. Kearnes Li Li R. Zare Patrick F. Riley AI4CE 107 542 0 19 Oct 2018
Message-passing neural networks for high-throughput polymer screening Peter C. St. John Caleb Phillips Travis W. Kemper A. N. Wilson M. Crowley M. Nimlos R. Larsen AI4CE 54 112 0 26 Jul 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 295 902 0 07 Jun 2018
MolGAN: An implicit generative model for small molecular graphs Nicola De Cao Thomas Kipf GNN GAN 179 928 0 30 May 2018
Constrained Graph Variational Autoencoders for Molecule Design Qi Liu Miltiadis Allamanis Marc Brockschmidt Alexander L. Gaunt BDL 81 456 0 23 May 2018
Syntax-Directed Variational Autoencoder for Structured Data H. Dai Yingtao Tian Bo Dai Steven Skiena Le Song 102 329 0 24 Feb 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 354 1,369 0 12 Feb 2018
Machine learning modeling of superconducting critical temperature V. Stanev C. Oses A. Kusne Efrain Rodriguez J. Paglione S. Curtarolo Ichiro Takeuchi 42 370 0 08 Sep 2017
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models G. L. Guimaraes Benjamín Sánchez-Lengeling Carlos Outeiral Pedro Luis Cunha Farias Alán Aspuru-Guzik GAN 85 525 0 30 May 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 85 844 0 06 Mar 2017
Learning Continuous Semantic Representations of Symbolic Expressions Miltiadis Allamanis Pankajan Chanthirasegaran Pushmeet Kohli Charles Sutton CLL NAI 102 99 0 04 Nov 2016
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 176 2,939 0 07 Oct 2016
Adam: A Method for Stochastic Optimization Diederik P. Kingma Jimmy Ba ODL 2.0K 150,312 0 22 Dec 2014
Auto-Encoding Variational Bayes Diederik P. Kingma Max Welling BDL 455 16,923 0 20 Dec 2013