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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2018
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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. |
format | Online Article Text |
id | pubmed-6029810 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
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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