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Semi-Supervised Junction Tree Variational Autoencoder for Molecular Property Prediction

10 August 2022

Papers citing "Semi-Supervised Junction Tree Variational Autoencoder for Molecular Property Prediction"

21 / 21 papers shown

Title
ASGN: An Active Semi-supervised Graph Neural Network for Molecular Property Prediction Zhong Hao Chengqiang Lu Zheyuan Hu Hongya Wang Zhenya Huang Qi Liu Enhong Chen Cheekong Lee 113 139 0 07 Jul 2020
GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation Chence Shi Minkai Xu Zhaocheng Zhu Weinan Zhang Ming Zhang Jian Tang 173 438 0 26 Jan 2020
Semi-Supervised Generative Modeling for Controllable Speech Synthesis Raza Habib Soroosh Mariooryad Matt Shannon Eric Battenberg RJ Skerry-Ryan Daisy Stanton David Kao Tom Bagby BDL 49 48 0 03 Oct 2019
InfoGraph: Unsupervised and Semi-supervised Graph-Level Representation Learning via Mutual Information Maximization Fan-Yun Sun Jordan Hoffmann Vikas Verma Jian Tang SSL 153 862 0 31 Jul 2019
An Introduction to Variational Autoencoders Diederik P. Kingma Max Welling BDL SSL DRL 89 2,359 0 06 Jun 2019
Strategies for Pre-training Graph Neural Networks Weihua Hu Bowen Liu Joseph Gomes Marinka Zitnik Percy Liang Vijay S. Pande J. Leskovec SSL AI4CE 116 1,409 0 29 May 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 1,322 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 8,554 0 03 Jan 2019
Constrained Generation of Semantically Valid Graphs via Regularizing Variational Autoencoders Tengfei Ma Jie Chen Cao Xiao 123 210 0 07 Sep 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 293 902 0 07 Jun 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 226 182 0 30 Apr 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 352 1,369 0 12 Feb 2018
Deep Reinforcement Learning for De-Novo Drug Design Mariya Popova Olexandr Isayev Alexander Tropsha 88 1,031 0 29 Nov 2017
Learning Disentangled Representations with Semi-Supervised Deep Generative Models Siddharth Narayanaswamy Brooks Paige Jan-Willem van de Meent Alban Desmaison Noah D. Goodman Pushmeet Kohli Frank Wood Philip Torr DRL CoGe 124 363 0 01 Jun 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 128 1,016 0 25 Apr 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 596 7,485 0 04 Apr 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 85 844 0 06 Mar 2017
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 171 2,939 0 07 Oct 2016
Auxiliary Deep Generative Models Lars Maaløe C. Sønderby Søren Kaae Sønderby Ole Winther DRL GAN 75 451 0 17 Feb 2016
Semi-Supervised Learning with Deep Generative Models Diederik P. Kingma Danilo Jimenez Rezende S. Mohamed Max Welling GAN SSL BDL 88 2,742 0 20 Jun 2014