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RNA secondary structure prediction using deep learning with thermodynamic integration

2021· article· en· 496 citations· W3126773939 on OpenAlex· 10.1038/s41467-021-21194-4

Why is this work in the frame?

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

Canadian funderA Canadian agency funded it. The work may carry no Canadian affiliation at all.

No Canadian affiliation. An affiliation-only frame — the usual design — would never have seen this work. It is one of the works that make the case for inverting the frame.

Machine scores (provisional)

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Opus teacher head0.009
GPT teacher head0.252
Teacher spread
0.243 · how far apart the two teachers sit on this one work
Validation status
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Abstract

Accurate predictions of RNA secondary structures can help uncover the roles of functional non-coding RNAs. Although machine learning-based models have achieved high performance in terms of prediction accuracy, overfitting is a common risk for such highly parameterized models. Here we show that overfitting can be minimized when RNA folding scores learnt using a deep neural network are integrated together with Turner's nearest-neighbor free energy parameters. Training the model with thermodynamic regularization ensures that folding scores and the calculated free energy are as close as possible. In computational experiments designed for newly discovered non-coding RNAs, our algorithm (MXfold2) achieves the most robust and accurate predictions of RNA secondary structures without sacrificing computational efficiency compared to several other algorithms. The results suggest that integrating thermodynamic information could help improve the robustness of deep learning-based predictions of RNA secondary structure.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

The record

Venue
Nature Communications
Topic
RNA and protein synthesis mechanisms
Field
Biochemistry, Genetics and Molecular Biology
Canadian institutions
Funders
Institute of GeneticsJapan Society for the Promotion of ScienceMinistry of Education, Culture, Sports, Science and TechnologyResearch Organization of Information and Systems
Keywords
OverfittingNucleic acid secondary structureComputer scienceParameterized complexityRNAArtificial intelligenceProtein secondary structureRobustness (evolution)Regularization (linguistics)Non-coding RNAMachine learningDeep learningFolding (DSP implementation)Nucleic acid structureArtificial neural networkComputational biologyAlgorithmBiologyGeneGenetics
Has abstract in OpenAlex
yes