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Deciphering RNA Secondary Structure Prediction: A Probabilistic K-Rook Matching Perspective

2022/12/02 by Cheng Tan, Zhangyang Gao, Tan, Cheng +8 · 1 citation
Biochemistry, Genetics and Molecular Biology · #Artificial Intelligence (cs.AI) #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Bioinformatics #Protein Structure and Dynamics #RNA and protein synthesis mechanisms

paper · pdf · doi:10.48550/arxiv.2212.14041

openalex publication_date 2022/12/02 · openalex created_date 2023/01/06 · openalex updated_date 2026/07/28

Abstract

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field, current methods suffer from poor generalization and high complexity. In this work, we reformulate the RNA secondary structure prediction as a K-Rook problem, thereby simplifying the prediction process into probabilistic matching within a finite solution space. Building on this innovative perspective, we introduce RFold, a simple yet effective method that learns to predict the most matching K-Rook solution from the given sequence. RFold employs a bi-dimensional optimization strategy that decomposes the probabilistic matching problem into row-wise and column-wise components to reduce the matching complexity, simplifying the solving process while guaranteeing the validity of the output. Extensive experiments demonstrate that RFold achieves competitive performance and about eight times faster inference efficiency than the state-of-the-art approaches. The code and Colab demo are available in (http://github.com/A4Bio/RFold).

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