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We present a simple yet effective method for structure prediction of two-dimensional structures. The method is based on a combination of neural networks and evolutionary techniques. It allows finding pristine 2D structures as well as…

Materials Science · Physics 2020-05-15 K. Zberecki

RNA secondary structure prediction and classification are two important problems in the field of RNA biology. Here, we propose a new permutation based approach to create logical non-disjoint clusters of different secondary structures of a…

Biomolecules · Quantitative Biology 2014-03-24 Nilay Chheda , Manish K Gupta

The RNA inverse folding problem, a key challenge in RNA design, involves identifying nucleotide sequences that can fold into desired secondary structures, which are critical for ensuring molecular stability and function. The inherent…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Guang Yang , Lei Fan

Expandable networks have demonstrated their advantages in dealing with catastrophic forgetting problem in incremental learning. Considering that different tasks may need different structures, recent methods design dynamic structures adapted…

Computer Vision and Pattern Recognition · Computer Science 2022-07-15 Guimei Cao , Zhanzhan Cheng , Yunlu Xu , Duo Li , Shiliang Pu , Yi Niu , Fei Wu

Using machine learning, especially deep learning, to facilitate biological research is a fascinating research direction. However, in addition to the standard classification or regression problems, in bioinformatics, we often need to predict…

Quantitative Methods · Quantitative Biology 2020-08-31 Yu Li

Protein inverse folding aims to design an amino acid sequence that will fold into a given backbone structure, serving as a central task in protein design. Two main paradigms have been widely explored. Template-based methods exploit…

Machine Learning · Computer Science 2026-03-17 Yiran Zhu , Changxi Chi , Hongxin Xiang , Wenjie Du , Xiaoqi Wang , Jun Xia

We describe an algorithm for comparing two RNA secondary structures coded in the form of trees that introduces two new operations, called node fusion and edge fusion, besides the tree edit operations of deletion, insertion, and relabeling…

Data Structures and Algorithms · Computer Science 2008-10-23 Julien Allali , Marie-France Sagot

Dual graphs have been applied to model RNA secondary structures. The purpose of the paper is two-fold: we present new graph-theoretic properties of dual graphs to validate the further analysis and classification of RNAs using these…

Quantitative Methods · Quantitative Biology 2016-01-19 Louis Petingi , Tamar Schlick

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network…

Machine Learning · Computer Science 2022-08-25 Sidharth Malhotra , Robin Walters

RNA structure prediction is a challenging problem, especially with pseudoknots. Recently, there has been a shift from the classical minimum free energy-based methods (MFE) to partition function-based ones that assemble structures using…

Biomolecules · Quantitative Biology 2020-01-10 Liang Zhang , He Zhang , David H. Mathews , Liang Huang

The inapplicability of amino acid covariation methods to small protein families has limited their use for structural annotation of whole genomes. Recently, deep learning has shown promise in allowing accurate residue-residue contact…

Biomolecules · Quantitative Biology 2019-09-10 Joe G Greener , Shaun M Kandathil , David T Jones

We present ProbHardE2E, a probabilistic forecasting framework that incorporates hard operational/physical constraints, and provides uncertainty quantification. Our methodology uses a novel differentiable probabilistic projection layer…

Machine Learning · Computer Science 2025-11-05 Utkarsh Utkarsh , Danielle C. Maddix , Ruijun Ma , Michael W. Mahoney , Yuyang Wang

Our world is ambiguous and this is reflected in the data we use to train our algorithms. This is particularly true when we try to model natural processes where collected data is affected by noisy measurements and differences in measurement…

Machine Learning · Computer Science 2023-07-19 Jörg K. H. Franke , Frederic Runge , Frank Hutter

Background: RNA exhibits a variety of structural configurations. Here we consider a structure to be tantamount to the noncrossing Watson-Crick and \pairGU-base pairings (secondary structure) and additional cross-serial base pairs. These…

Combinatorics · Mathematics 2010-03-11 James Z. M. Gao , Linda Y. M. Li , Christian M. Reidys

Meta-learning of numerical algorithms for a given task consists of the data-driven identification and adaptation of an algorithmic structure and the associated hyperparameters. To limit the complexity of the meta-learning problem, neural…

Machine Learning · Computer Science 2023-07-07 Danimir T. Doncevic , Alexander Mitsos , Yue Guo , Qianxiao Li , Felix Dietrich , Manuel Dahmen , Ioannis G. Kevrekidis

RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

Biomolecules · Quantitative Biology 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi

Evolutionary algorithms serve as a powerful paradigm for tackling optimization challenges, yet their reliance on manually engineered heuristics inherently limits their adaptability across diverse landscapes. However, the transition from the…

Neural and Evolutionary Computing · Computer Science 2026-03-04 Jiaxin Gao , Yaohua Liu , Ran Cheng , Kay Chen Tan

The statistical mechanics of heteropolymer structure formation is studied in the context of RNA secondary structures. A designed RNA sequence biased energetically towards a particular native structure (a hairpin) is used to study the…

Statistical Mechanics · Physics 2009-10-31 R. Bundschuh , T. Hwa

The Ribonucleic Acid (RNA) inverse folding problem, designing nucleotide sequences that fold into specific tertiary structures, is a fundamental computational biology problem with important applications in synthetic biology and…

Biomolecules · Quantitative Biology 2025-12-01 Mehyar Mlaweh , Tristan Cazenave , Ines Alaya

Motivation: Deep learning architectures have recently demonstrated their power in predicting DNA- and RNA-binding specificities. Existing methods fall into three classes: Some are based on Convolutional Neural Networks (CNNs), others use…

Machine Learning · Computer Science 2019-01-31 Ameni Trabelsi , Mohamed Chaabane , Asa Ben Hur