Deep Evolutionary Learning for Molecular Design

28 December 2020

Papers citing "Deep Evolutionary Learning for Molecular Design"

16 / 16 papers shown

Title
Differentiable Expected Hypervolume Improvement for Parallel Multi-Objective Bayesian Optimization Sam Daulton Maximilian Balandat E. Bakshy 72 241 0 09 Jun 2020
A Deep Generative Model for Fragment-Based Molecule Generation Marco Podda D. Bacciu Alessio Micheli VLM BDL 63 52 0 28 Feb 2020
Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation Chao-chao Yan Sheng Wang Jinyu Yang Tingyang Xu Junzhou Huang DRL 47 33 0 01 Oct 2019
EDA: Easy Data Augmentation Techniques for Boosting Performance on Text Classification Tasks Jason W. Wei Kai Zou 119 1,963 0 31 Jan 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 295 904 0 07 Jun 2018
GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders M. Simonovsky N. Komodakis GNN BDL 120 856 0 09 Feb 2018
The Effectiveness of Data Augmentation in Image Classification using Deep Learning Luis Perez Jason Wang 84 2,793 0 13 Dec 2017
Deep Reinforcement Learning for De-Novo Drug Design Mariya Popova Olexandr Isayev Alexander Tropsha 96 1,033 0 29 Nov 2017
Z-Forcing: Training Stochastic Recurrent Networks Anirudh Goyal Alessandro Sordoni Marc-Alexandre Côté Nan Rosemary Ke Yoshua Bengio BDL 77 185 0 15 Nov 2017
Evolution Strategies as a Scalable Alternative to Reinforcement Learning Tim Salimans Jonathan Ho Xi Chen Szymon Sidor Ilya Sutskever 119 1,544 0 10 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 180 2,939 0 07 Oct 2016
Improving Neural Machine Translation Models with Monolingual Data Rico Sennrich Barry Haddow Alexandra Birch 261 2,724 0 20 Nov 2015
Generating Sentences from a Continuous Space Samuel R. Bowman Luke Vilnis Oriol Vinyals Andrew M. Dai Rafal Jozefowicz Samy Bengio DRL 113 2,364 0 19 Nov 2015
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 225 3,357 0 30 Sep 2015
Auto-Encoding Variational Bayes Diederik P. Kingma Max Welling BDL 458 16,922 0 20 Dec 2013
Efficient Estimation of Word Representations in Vector Space Tomas Mikolov Kai Chen G. Corrado J. Dean 3DV 693 31,553 0 16 Jan 2013