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Learned protein embeddings for machine learning

Authors: Kevin K. Yang; Zachary Wu; Claire N. Bedbrook; Frances H. Arnold;

Learned protein embeddings for machine learning

Abstract

Abstract Motivation Machine-learning models trained on protein sequences and their measured functions can infer biological properties of unseen sequences without requiring an understanding of the underlying physical or biological mechanisms. Such models enable the prediction and discovery of sequences with optimal properties. Machine-learning models generally require that their inputs be vectors, and the conversion from a protein sequence to a vector representation affects the model’s ability to learn. We propose to learn embedded representations of protein sequences that take advantage of the vast quantity of unmeasured protein sequence data available. These embeddings are low-dimensional and can greatly simplify downstream modeling. Results The predictive power of Gaussian process models trained using embeddings is comparable to those trained on existing representations, which suggests that embeddings enable accurate predictions despite having orders of magnitude fewer dimensions. Moreover, embeddings are simpler to obtain because they do not require alignments, structural data, or selection of informative amino-acid properties. Visualizing the embedding vectors shows meaningful relationships between the embedded proteins are captured. Availability and implementation The embedding vectors and code to reproduce the results are available at https://github.com/fhalab/embeddings_reproduction/. Supplementary information Supplementary data are available at Bioinformatics online.

Country
United States
Related Organizations
Keywords

Bacteria, Computational Biology, Eukaryota, Proteins, Models, Biological, 004, Machine Learning, Sequence Analysis, Protein, Humans, Amino Acid Sequence, Software

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
283
Top 0.1%
Top 1%
Top 0.1%
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