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RNA design, the task of finding a sequence that folds into a target secondary structure, has broad biological and biomedical impact but remains computationally challenging due to the exponentially large sequence space and exponentially many…

Machine Learning · Computer Science 2026-02-16 Milan Gautam , Ning Dai , Tianshuo Zhou , Bowen Xie , David Mathews , Liang Huang

The process of RNA base fraying (i.e. the transient opening of the termini of a helix) is involved in many aspects of RNA dynamics. We here use molecular dynamics simulations and Markov state models to characterize the kinetics of RNA…

Computational Physics · Physics 2019-04-22 Giovanni Pinamonti , Fabian Paul , Frank Noé , Alex Rodriguez , Giovanni Bussi

Modeling continuous-time physiological processes that manifest a patient's evolving clinical states is a key step in approaching many problems in healthcare. In this paper, we develop the Hidden Absorbing Semi-Markov Model (HASMM): a…

Artificial Intelligence · Computer Science 2016-12-28 Ahmed M. Alaa , Mihaela van der Schaar

Hidden Markov Models are widely used in classical computer science to model stochastic processes with a wide range of applications. This paper concerns the quantum analogues of these machines --- so-called Hidden Quantum Markov Models…

Quantum Physics · Physics 2015-03-05 Lewis A. Clark , Wei Huang , Thomas M. Barlow , Almut Beige

Despite great interest in solving RNA secondary structures due to their impact on function, it remains an open problem to determine structure from sequence. Among experimental approaches, a promising candidate is the "chemical modification…

Quantitative Methods · Quantitative Biology 2011-06-30 Sharon Aviran , Julius B. Lucks , Lior Pachter

Nature, as far as we know, evolves continuously through space and time. Yet the ubiquitous hidden Markov model (HMM)--originally developed for discrete time and space analysis in natural language processing--remains a central tool in…

Biomolecules · Quantitative Biology 2025-06-09 Max Schweiger , Ayush Saurabh , Steve Pressé

Recently several minimum free energy (MFE) folding algorithms for predicting the joint structure of two interacting RNA molecules have been proposed. Their folding targets are interaction structures, that can be represented as diagrams with…

Combinatorics · Mathematics 2010-06-22 Thomas J. X. Li , Christian M. Reidys

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

This paper introduces the hhsmm R package, which involves functions for initializing, fitting, and predication of hidden hybrid Markov/semi-Markov models. These models are flexible models with both Markovian and semi-Markovian states, which…

Computation · Statistics 2022-05-31 Morteza Amini , Afarin Bayat , Reza Salehian

Nowadays, neural network models achieve state-of-the-art results in many areas as computer vision or speech processing. For sequential data, especially for Natural Language Processing (NLP) tasks, Recurrent Neural Networks (RNNs) and their…

Computation and Language · Computer Science 2021-02-23 Elie Azeraf , Emmanuel Monfrini , Emmanuel Vignon , Wojciech Pieczynski

We show how models for prediction with expert advice can be defined concisely and clearly using hidden Markov models (HMMs); standard HMM algorithms can then be used to efficiently calculate, among other things, how the expert predictions…

Machine Learning · Computer Science 2008-02-15 Wouter Koolen , Steven de Rooij

RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the…

Biological Physics · Physics 2020-09-04 Bin Huang , Yuanyang Du , Shuai Zhang , Wenfei Li , Jun Wang , Jian Zhang

Ecological systems can often be characterised by changes among a finite set of underlying states pertaining to individuals, populations, communities, or entire ecosystems through time. Owing to the inherent difficulty of empirical field…

Quantitative Methods · Quantitative Biology 2020-11-12 Brett T. McClintock , Roland Langrock , Olivier Gimenez , Emmanuelle Cam , David L. Borchers , Richard Glennie , Toby A. Patterson

We consider six different secondary structures of proteins and construct two types of Go-type off-lattice models: with the steric constraints and without. The basic aminoacid-aminoacid potential is Lennard Jones for the native contacts and…

Statistical Mechanics · Physics 2009-10-31 Trinh Xuan Hoang , Marek Cieplak

In this paper we study $\gamma$-structures filtered by topological genus. $\gamma$-structures are a class of RNA pseudoknot structures that plays a key role in the context of polynomial time folding of RNA pseudoknot structures. A…

Combinatorics · Mathematics 2012-02-07 Thomas J. X. Li , Christian M. Reidys

Hidden Markov Models (HMMs) are foundational tools for modeling sequential data with latent Markovian structure, yet fitting them to real-world data remains computationally challenging. In this work, we show that pre-trained large language…

Machine Learning · Computer Science 2026-04-27 Yijia Dai , Zhaolin Gao , Yahya Sattar , Sarah Dean , Jennifer J. Sun

RNA structure and functional dynamics play fundamental roles in controlling biological systems. Molecular dynamics simulation, which can characterize interactions at an atomistic level, can advance the understanding on new drug discovery,…

Molecular Networks · Quantitative Biology 2023-06-21 Hua Zheng , Wei Xie , Paul Whitford , Ailun Wang , Chunsheng Fang , Wandi Xu

Hidden Markov Models (HMMs) are fundamental for modeling sequential data, yet learning their parameters from observations remains challenging. Classical methods like the Baum-Welch algorithm are computationally intensive and prone to local…

Machine Learning · Computer Science 2026-04-27 Reginald Zhiyan Chen , Heng-Sheng Chang , Prashant G. Mehta

The field of world modeling is fragmented, with researchers developing bespoke architectures that rarely build upon each other. We propose a framework that specifies the natural building blocks for structured world models based on the…

Machine Learning · Computer Science 2025-11-05 Lancelot Da Costa , Sanjeev Namjoshi , Mohammed Abbas Ansari , Bernhard Schölkopf

RNA-RNA binding is an important phenomenon observed for many classes of non-coding RNAs and plays a crucial role in a number of regulatory processes. Recently several MFE folding algorithms for predicting the joint structure of two…

Combinatorics · Mathematics 2010-06-16 Thomas J. X. Li , Christian M. Reidys