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We propose a deep generative Markov State Model (DeepGenMSM) learning framework for inference of metastable dynamical systems and prediction of trajectories. After unsupervised training on time series data, the model contains (i) a…

Machine Learning · Statistics 2019-01-14 Hao Wu , Andreas Mardt , Luca Pasquali , Frank Noe

Learning dynamical systems from sparse observations is critical in numerous fields, including biology, finance, and physics. Even if tackling such problems is standard in general information fusion, it remains challenging for contemporary…

Machine Learning · Computer Science 2024-06-04 Ella Tamir , Arno Solin

Loop formation between monomers in the interior of semiflexible chains describes elementary events in biomolecular folding and DNA bending. We calculate analytically the interior distance distribution function for semiflexible chains using…

Soft Condensed Matter · Physics 2009-11-11 Changbong Hyeon , D. Thirumalai

Pulsar timing experiments typically generate a phase-connected timing solution from a sequence of times-of-arrival (TOAs) by absolute pulse numbering, i.e. by fitting an integer number of pulses between TOAs in order to minimize the…

High Energy Astrophysical Phenomena · Physics 2020-06-24 A. Melatos , L. M. Dunn , S. Suvorova , W. Moran , R. J. Evans

A simple model of DNA based on two interacting polymers has been used to study the unzipping of a double stranded DNA subjected to a periodic force. We propose a dynamical transition, where without changing the physiological condition, it…

Biological Physics · Physics 2015-06-11 Sanjay Kumar , Garima Mishra

Systems of interacting continuous-time Markov chains are a powerful model class, but inference is typically intractable in high dimensional settings. Auxiliary information, such as noisy observations, is typically only available at discrete…

Machine Learning · Statistics 2026-04-21 Giosue Migliorini , Padhraic Smyth

DNA segments and sequences have been studied thoroughly during the past decades. One of the main problems in computational biology is the identification of exon-intron structures inside genes using mathematical techniques. Previous studies…

Applications · Statistics 2019-07-09 Pavlos Kolias , Alexandra Papadopoulou

A stretched DNA molecule which is also under- or overwound, undergoes a buckling transition forming intertwined looped domains called plectonemes. Here we develop a simple theory that extends the two-phase model of stretched supercoiled…

Soft Condensed Matter · Physics 2024-11-01 Midas Segers , Enrico Skoruppa , Helmut Schiessel , Enrico Carlon

We present a phenomenological dynamical model able to describe the stretching features of the curve of DNA length vs applied force. As concerns the chain, the model is based on the discrete wormlike chain model with elastic modifications,…

Biological Physics · Physics 2012-09-25 Alessandro Fiasconaro , Fernando falo

We consider the problem of flexible modeling of higher order hidden Markov models when the number of latent states and the nature of the serial dependence, including the true order, are unknown. We propose Bayesian nonparametric methodology…

Methodology · Statistics 2019-02-06 Abhra Sarkar , David B. Dunson

The analysis of single particle trajectories plays an important role in elucidating dynamics within complex environments such as those found in living cells. However, the characterization of intracellular particle motion is often confounded…

Three coarse-grained models of the double-stranded DNA are proposed and compared in the context of mechanical manipulation such as twisting and various schemes of stretching. The models differ in the number of effective beads (between two…

Biomolecules · Quantitative Biology 2015-05-13 Szymon Niewieczerzał , Marek Cieplak

Masked language models (MLMs) define local conditional distributions over tokens but do not, in general, correspond to any consistent joint distribution over sequences. This raises a fundamental question: what global distributional behavior…

Machine Learning · Computer Science 2026-05-19 Suvadip Sana , Sami Wolf , Neer Mehta , Alina Shah , Aitzaz Shaikh , Janna Goodman , Lionel Levine

We analyze the quantum jumps of an atom interacting with a cavity field. The strong atom- field interaction makes the cavity transmission depend on the time dependent atomic state, and we present a Hidden Markov Model description of the…

Quantum Physics · Physics 2015-06-18 S. Gammelmark , W. Alt , T. Kampschulte , D. Meschede , K. Molmer

We study the dynamics of DNA hairpin formation using oxDNA, a nucleotide-level coarse-grained model of DNA. In particular, we explore the effects of the loop stacking interactions and non-native base pairing on the hairpin closing times. We…

Biological Physics · Physics 2014-12-12 Majid Mosayebi , Flavio Romano , Thomas E. Ouldridge , Ard A. Louis , Jonathan P. K. Doye

We introduce a multivariate hidden Markov model to jointly cluster time-series observations with different support, i.e. circular and linear. Relying on the general projected normal distribution, our approach allows for bimodal and/or…

Applications · Statistics 2015-01-27 Gianluca Mastrantonio , Antonello Maruotti , Giovanna Jona Lasinio

Investigation of dynamic processes in cell biology very often relies on the observation in two dimensions of 3D biological processes. Consequently, the data are partial and statistical methods and models are required to recover the…

Applications · Statistics 2020-10-21 Yunjiao Lu , Pierre Hodara , Charles Kervrann , Alain Trubuil

A Markov state model of the dynamics of a protein-like chain immersed in an implicit hard sphere solvent is derived from first principles for a system of monomers that interact via discontinuous potentials designed to account for local…

Statistical Mechanics · Physics 2015-06-22 Jeremy Schofield , Hanif Bayat

In order to characterize the mechanisms governing the diffusion of particles in biological scenarios, it is essential to accurately determine their diffusive properties. To do so, we propose a machine learning method to characterize…

Soft Condensed Matter · Physics 2023-11-29 Borja Requena , Sergi Masó , Joan Bertran , Maciej Lewenstein , Carlo Manzo , Gorka Muñoz-Gil

A complete time-parameterized statistical model quantifying the divergent evolution of protein structures in terms of the patterns of conservation of their secondary structures is inferred from a large collection of protein 3D structure…

Quantitative Methods · Quantitative Biology 2023-08-15 Sandun Rajapaksa , Lloyd Allison , Peter J. Stuckey , Maria Garcia de la Banda , Arun S. Konagurthu