PreprintCited by 342Protein Structure and DynamicsMachine Learning in BioinformaticsRNA and protein synthesis mechanisms

The DOI matches its Crossref record; 66 of the 66 references it cites were found in a registry or an index.

Transformer protein language models are unsupervised structure learners

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Rao, Roshan, Meier, Joshua, Sercu, Tom, Ovchinnikov, Sergey, Rives, Alexander·2020·bioRxiv (Cold Spring Harbor Laboratory)

Abstract

A bstract: Unsupervised contact prediction is central to uncovering physical, structural, and functional constraints for protein structure determination and design. For decades, the predominant approach has been to infer evolutionary constraints from a set of related sequences. In the past year, protein language models have emerged as a potential alternative, but performance has fallen short of state-of-the-art approaches in bioinformatics. In this paper we demonstrate that Transformer attention maps learn contacts from the unsupervised language modeling objective. We find the highest capacity models that have been trained to date already outperform a state-of-the-art unsupervised contact prediction pipeline, suggesting these pipelines can be replaced with a single forward pass of an end-to-end model. 1

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  1. 10.1002/(SICI)1097-0134(19990301)34:4(508::AID-PROT10)3.0.CO;2-4 · DOI
  2. Robert D. Finn , Alex Bateman , Jody Clements , Penelope Coggill , Ruth Y. Eberhardt , Sean R. Eddy , Andreas Heger , Kirstie Hetherington , Liisa Holm , Jaina Mistry , Erik L.L. Sonnhammer , John Tate , and Marco Punta . Pfam: The protein families database, 1 2014. ISSN 03051048. URL https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3965110/.
  3. 10.1101/622803 · DOI · Paper page
  4. 10.1101/2020.10.12.336859 · DOI

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Metadata

Authors
Rao, R., Meier, J., Sercu, T., Ovchinnikov, S., & Rives, A.
Affiliations
  • University of California, Berkeley (US)
  • Meta (United States) (US)
  • Harvard University (US)
Corresponding author
  • Rao, Roshan
  • Meier, Joshua
  • Sercu, Tom
  • Ovchinnikov, Sergey
  • Rives, Alexander
Venue
bioRxiv (Cold Spring Harbor Laboratory)
Publisher
openRxiv
Published
2020-12-15
OpenAlex
W3111174583
Cited by
341
References
63
Citations by year
2026: 51 · 2025: 67 · 2024: 79 · 2023: 56 · 2022: 49 · 2021: 37 · 2020: 2
Type
posted content
Language
en
Open access
Locations
bioRxiv (Cold Spring Harbor Laboratory) (acceptedVersion, cc-by-nc-nd)
Funders
National Institutes of Health (DP5OD026389)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Machine Learning in Bioinformatics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › RNA and protein synthesis mechanisms
Keywords
protein language models, protein structure prediction, protein structure design, evolutionary constraints

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