Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning

17 December 2020

Papers citing "Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning"

23 / 23 papers shown

Title
Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design Wenhao Gao Rocío Mercado Connor W. Coley 38 58 0 12 Oct 2021
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design AkshatKumar Nigam R. Pollice Alán Aspuru-Guzik 47 51 0 07 Jun 2021
Assigning Confidence to Molecular Property Prediction AkshatKumar Nigam R. Pollice Matthew F. D. Hurley Riley J. Hickman Matteo Aldeghi Naruki Yoshikawa Seyone Chithrananda Vincent A. Voelz Alán Aspuru-Guzik AI4CE 72 46 0 23 Feb 2021
The Synthesizability of Molecules Proposed by Generative Models Wenhao Gao Connor W. Coley 26 253 0 17 Feb 2020
Never Give Up: Learning Directed Exploration Strategies Adria Puigdomenech Badia Pablo Sprechmann Alex Vitvitskyi Daniel Guo Bilal Piot ... O. Tieleman Martín Arjovsky Alexander Pritzel Andew Bolt Charles Blundell 36 293 0 14 Feb 2020
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space AkshatKumar Nigam Pascal Friederich Mario Krenn Alán Aspuru-Guzik AI4CE 29 129 0 25 Sep 2019
A survey on intrinsic motivation in reinforcement learning A. Aubret L. Matignon S. Hassas AI4CE 36 144 0 19 Aug 2019
Go-Explore: a New Approach for Hard-Exploration Problems Adrien Ecoffet Joost Huizinga Joel Lehman Kenneth O. Stanley Jeff Clune AI4TS 39 364 0 30 Jan 2019
GuacaMol: Benchmarking Models for De Novo Molecular Design Nathan Brown Marco Fiscato Marwin H. S. Segler Alain C. Vaucher ELM 68 698 0 22 Nov 2018
Large-Scale Study of Curiosity-Driven Learning Yuri Burda Harrison Edwards Deepak Pathak Amos Storkey Trevor Darrell Alexei A. Efros LRM 31 700 0 13 Aug 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 229 893 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 279 1,350 0 12 Feb 2018
In silico generation of novel, drug-like chemical matter using the LSTM neural network P. Ertl Richard A. Lewis E. Martin V. Polyakov 25 59 0 20 Dec 2017
Proximal Policy Optimization Algorithms John Schulman Filip Wolski Prafulla Dhariwal Alec Radford Oleg Klimov OffRL 170 18,562 0 20 Jul 2017
Parameter Space Noise for Exploration Matthias Plappert Rein Houthooft Prafulla Dhariwal Szymon Sidor Richard Y. Chen Xi Chen Tamim Asfour Pieter Abbeel Marcin Andrychowicz 38 593 0 06 Jun 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 46 522 0 30 May 2017
Curiosity-driven Exploration by Self-supervised Prediction Deepak Pathak Pulkit Agrawal Alexei A. Efros Trevor Darrell LRM SSL 85 2,416 0 15 May 2017
Molecular Generation with Recurrent Neural Networks (RNNs) E. Bjerrum Richard Threlfall 32 111 0 12 May 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 64 1,003 0 25 Apr 2017
#Exploration: A Study of Count-Based Exploration for Deep Reinforcement Learning Haoran Tang Rein Houthooft Davis Foote Adam Stooke Xi Chen Yan Duan John Schulman F. Turck Pieter Abbeel OffRL 67 762 0 15 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 91 2,904 0 07 Oct 2016
Unifying Count-Based Exploration and Intrinsic Motivation Marc G. Bellemare S. Srinivasan Georg Ostrovski Tom Schaul D. Saxton Rémi Munos 127 1,462 0 06 Jun 2016
Incentivizing Exploration In Reinforcement Learning With Deep Predictive Models Bradly C. Stadie Sergey Levine Pieter Abbeel 53 501 0 03 Jul 2015