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Background: In the Nearest-Neighbor Thermodynamic Model, a standard approach for RNA secondary structure prediction, the energy of the multiloops is modeled using a linear entropic penalty governed by three branching parameters. Although…

Biomolecules · Quantitative Biology 2025-10-15 Svetlana Poznanović , Owen Cardwell , Christine Heitsch

The PHASE software package allows phylogenetic tree construction with a number of evolutionary models designed specifically for use with RNA sequences that have conserved secondary structure. Evolution in the paired regions of RNAs occurs…

Populations and Evolution · Quantitative Biology 2007-05-23 Cendrine Hudelot , Vivek Gowri-Shankar , Howsun Jow , Magnus Rattray , Paul G. Higgs

Recent research works establish deep neural networks as high performing tools for radar target detection, especially on challenging environments (presence of clutter or interferences, multi-target scenarii...). However, the usually large…

Signal Processing · Electrical Eng. & Systems 2025-06-30 Noé Lallouet , Tristan Cazenave , Cyrille Enderli , Stéphanie Gourdin

Architecture design has become a crucial component of successful deep learning. Recent progress in automatic neural architecture search (NAS) shows a lot of promise. However, discovered architectures often fail to generalize in the final…

Machine Learning · Computer Science 2020-04-03 Guohao Li , Guocheng Qian , Itzel C. Delgadillo , Matthias Müller , Ali Thabet , Bernard Ghanem

Neural architecture search (NAS) has emerged as a powerful paradigm that enables researchers to automatically explore vast search spaces and discover efficient neural networks. However, NAS suffers from a critical bottleneck, i.e. the…

Neural and Evolutionary Computing · Computer Science 2026-01-05 Yu Xue , Pengcheng Jiang , Chenchen Zhu , MengChu Zhou , Mohamed Wahib , Moncef Gabbouj

The problem of determining which nucleotides of an RNA sequence are paired or unpaired in the secondary structure of an RNA, which we call RNA state inference, can be studied by different machine learning techniques. Successful state…

Biomolecules · Quantitative Biology 2024-07-09 Devin Willmott , David Murrugarra , Qiang Ye

Heterogeneous graph neural architecture search (HGNAS) represents a powerful tool for automatically designing effective heterogeneous graph neural networks. However, existing HGNAS algorithms suffer from inefficient searches and unstable…

Artificial Intelligence · Computer Science 2023-12-15 Haoyuan Dong , Yang Gao , Haishuai Wang , Hong Yang , Peng Zhang

RNA secondary structures prediction is one of the main issues in bioinformatics. It seeks to elucidate structural conserved regions within a set of RNA sequences. Unfortunately, finding an accurate conserved structure is a very hard task to…

Data Structures and Algorithms · Computer Science 2013-02-07 Abdesslem Layeb , Amira Boudra , Wissem Korichi , Salim Chikhi

As an increasing number of genome-wide association studies reveal the limitations of attempting to explain phenotypic heritability by single genetic loci, there is growing interest for associating complex phenotypes with sets of genetic…

There exists many complicated $k$-noncrossing pseudoknot RNA structures in nature based on some special conditions. The special characteristic of RNA structures gives us great challenges in researching the enumeration, prediction and the…

Combinatorics · Mathematics 2020-11-23 Yangyang Zhao

In this paper, we propose an end-to-end deep learning model, called E2Efold, for RNA secondary structure prediction which can effectively take into account the inherent constraints in the problem. The key idea of E2Efold is to directly…

Machine Learning · Computer Science 2020-06-11 Xinshi Chen , Yu Li , Ramzan Umarov , Xin Gao , Le Song

A new statistical method of alignment of two heteropolymers which can form hierarchical cloverleaf-like secondary structures is proposed. This offers a new constructive algorithm for quantitative determination of binding free energy of two…

Quantitative Methods · Quantitative Biology 2010-11-12 S. K. Nechaev , M. V. Tamm , O. V. Valba

Models for RNA secondary structures (the topology of folded RNA) without pseudo knots are disordered systems with a complex state-space below a critical temperature. Hence, a complex dynamical (glassy) behavior can be expected, when…

Disordered Systems and Neural Networks · Physics 2008-02-02 S. Wolfsheimer , B. Burghardt , A. Mann , A. K. Hartmann

Networks found with Neural Architecture Search (NAS) achieve state-of-the-art performance in a variety of tasks, out-performing human-designed networks. However, most NAS methods heavily rely on human-defined assumptions that constrain the…

Computer Vision and Pattern Recognition · Computer Science 2023-01-10 Vasco Lopes , Luís A. Alexandre

Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals. In retrosynthesis, a search tree is built by analysing molecules recursively and dissecting them into simpler…

Artificial Intelligence · Computer Science 2017-02-02 Marwin Segler , Mike Preuß , Mark P. Waller

Prediction of one-dimensional protein structures such as secondary structures and contact numbers is useful for the three-dimensional structure prediction and important for the understanding of sequence-structure relationship. Here we…

Biomolecules · Quantitative Biology 2007-05-23 Akira R. Kinjo , Ken Nishikawa

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

Model-based reinforcement learning (RL) methods that leverage search are responsible for many milestone breakthroughs in RL. Sequential Monte Carlo (SMC) recently emerged as an alternative to the Monte Carlo Tree Search (MCTS) algorithm…

Machine Learning · Computer Science 2026-05-22 Yaniv Oren , Joery A. de Vries , Pascal R. van der Vaart , Matthijs T. J. Spaan , Wendelin Böhmer

Prior results for tRNA and 5S rRNA demonstrated that secondary structure prediction accuracy can be significantly improved by modifying the parameters in the multibranch loop entropic penalty function. However, for reasons not well…

Biomolecules · Quantitative Biology 2025-03-28 Svetlana Poznanović , Owen Cardwell , Christine Heitsch

In this paper, we investigate a new variant of neural architecture search (NAS) paradigm -- searching with random labels (RLNAS). The task sounds counter-intuitive for most existing NAS algorithms since random label provides few information…

Computer Vision and Pattern Recognition · Computer Science 2021-05-26 Xuanyang Zhang , Pengfei Hou , Xiangyu Zhang , Jian Sun