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Solving the RNA design problem with reinforcement learning

We use reinforcement learning to train an agent for computational RNA design: given a target secondary structure, design a sequence that folds to that structure in silico. Our agent uses a novel graph convolutional architecture allowing a single model to be applied to arbitrary target structures of...

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Detalles Bibliográficos
Autores principales: Eastman, Peter, Shi, Jade, Ramsundar, Bharath, Pande, Vijay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6029810/
https://www.ncbi.nlm.nih.gov/pubmed/29927936
http://dx.doi.org/10.1371/journal.pcbi.1006176
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author Eastman, Peter
Shi, Jade
Ramsundar, Bharath
Pande, Vijay S.
author_facet Eastman, Peter
Shi, Jade
Ramsundar, Bharath
Pande, Vijay S.
author_sort Eastman, Peter
collection PubMed
description We use reinforcement learning to train an agent for computational RNA design: given a target secondary structure, design a sequence that folds to that structure in silico. Our agent uses a novel graph convolutional architecture allowing a single model to be applied to arbitrary target structures of any length. After training it on randomly generated targets, we test it on the Eterna100 benchmark and find it outperforms all previous algorithms. Analysis of its solutions shows it has successfully learned some advanced strategies identified by players of the game Eterna, allowing it to solve some very difficult structures. On the other hand, it has failed to learn other strategies, possibly because they were not required for the targets in the training set. This suggests the possibility that future improvements to the training protocol may yield further gains in performance.
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spelling pubmed-60298102018-07-19 Solving the RNA design problem with reinforcement learning Eastman, Peter Shi, Jade Ramsundar, Bharath Pande, Vijay S. PLoS Comput Biol Research Article We use reinforcement learning to train an agent for computational RNA design: given a target secondary structure, design a sequence that folds to that structure in silico. Our agent uses a novel graph convolutional architecture allowing a single model to be applied to arbitrary target structures of any length. After training it on randomly generated targets, we test it on the Eterna100 benchmark and find it outperforms all previous algorithms. Analysis of its solutions shows it has successfully learned some advanced strategies identified by players of the game Eterna, allowing it to solve some very difficult structures. On the other hand, it has failed to learn other strategies, possibly because they were not required for the targets in the training set. This suggests the possibility that future improvements to the training protocol may yield further gains in performance. Public Library of Science 2018-06-21 /pmc/articles/PMC6029810/ /pubmed/29927936 http://dx.doi.org/10.1371/journal.pcbi.1006176 Text en © 2018 Eastman et al http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Eastman, Peter
Shi, Jade
Ramsundar, Bharath
Pande, Vijay S.
Solving the RNA design problem with reinforcement learning
title Solving the RNA design problem with reinforcement learning
title_full Solving the RNA design problem with reinforcement learning
title_fullStr Solving the RNA design problem with reinforcement learning
title_full_unstemmed Solving the RNA design problem with reinforcement learning
title_short Solving the RNA design problem with reinforcement learning
title_sort solving the rna design problem with reinforcement learning
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6029810/
https://www.ncbi.nlm.nih.gov/pubmed/29927936
http://dx.doi.org/10.1371/journal.pcbi.1006176
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