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Assessing the time scale of biological processes using molecular dynamics (MD) simulations with sufficient statistical accuracy is a challenging task, as processes are often rare and/or slow events, which may extend largely beyond the time…

Computational Physics · Physics 2026-02-16 Wouter Vervust , Elias Wils , Sina Safaei , Daniel T. Zhang , An Ghysels

Markov state models (MSMs) are a widely used method for approximating the eigenspectrum of the molecular dynamics propagator, yielding insight into the long-timescale statistical kinetics and slow dynamical modes of biomolecular systems.…

Biomolecules · Quantitative Biology 2015-03-30 Robert T. McGibbon , Vijay S. Pande

Modeling unknown systems from data is a precursor of system optimization and sequential decision making. In this paper, we focus on learning a Markov model from a single trajectory of states. Suppose that the transition model has a small…

Methodology · Statistics 2020-11-30 Ziwei Zhu , Xudong Li , Mengdi Wang , Anru Zhang

This paper studies the robustness of quasi-maximum-likelihood (QML) estimation in hidden Markov models (HMMs) when the regime-switching structure is misspecified. Specifically, we examine the case where the true data-generating process…

Econometrics · Economics 2026-01-14 Demian Pouzo , Martin Sola , Zacharias Psaradakis

Molecular dynamics simulations yield large amounts of trajectory data. For their durable storage and accessibility an efficient compression algorithm is paramount. State of the art domain-specific algorithms combine quantization, Huffman…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-01-13 Jan Huwald , Stephan Richter , Peter Dittrich

Markov chains are a common framework for individual-based state and time discrete models in ecology and evolution. Their use, however, is largely limited to systems with a low number of states, since the transition matrices involved pose…

Quantitative Methods · Quantitative Biology 2014-07-10 Katja Reichel , Valentin Bahier , Cédric Midoux , Jean-Pierre Masson , Solenn Stoeckel

Neural ordinary differential equations offer an effective framework for modeling dynamical systems by learning a continuous-time vector field. However, they rely on the Markovian assumption - that future states depend only on the current…

Machine Learning · Computer Science 2025-09-16 Eliott Pradeleix , Rémy Hosseinkhan-Boucher , Alena Shilova , Onofrio Semeraro , Lionel Mathelin

In this paper, we present a new, optimization-based method to exhibit cyclic behavior in non-reversible stochastic processes. While our method is general, it is strongly motivated by discrete simulations of ordinary differential equations…

Data Structures and Algorithms · Computer Science 2016-09-12 Isabel Beckenbach , Leon Eifler , Konstantin Fackeldey , Ambros Gleixner , Andreas Grever , Marcus Weber , Jakob Witzig

Manipulation of a quantum system requires the knowledge of how it evolves. To impose that the dynamics of a system becomes a particular target operation (for any preparation of the system), it may be more useful to have an equation of…

Quantum Physics · Physics 2021-07-28 V. Rezvani , A. T. Rezakhani

We develop a model for credit rating migration that accounts for the impact of economic state fluctuations on default probabilities. The joint process for the economic state and the rating is modelled as a time-homogeneous Markov chain.…

Risk Management · Quantitative Finance 2024-03-25 Michael Kalkbrener , Natalie Packham

Machine learning methods have proved to be useful for the recognition of patterns in statistical data. The measurement outcomes are intrinsically random in quantum physics, however, they do have a pattern when the measurements are performed…

Quantum Physics · Physics 2020-04-14 I. A. Luchnikov , S. V. Vintskevich , D. A. Grigoriev , S. N. Filippov

Learning a Markov Decision Process (MDP) from a fixed batch of trajectories is a non-trivial task whose outcome's quality depends on both the amount and the diversity of the sampled regions of the state-action space. Yet, many MDPs are…

Machine Learning · Computer Science 2022-03-08 Giorgio Angelotti , Nicolas Drougard , Caroline P. C. Chanel

A novel approach of accurately reconstructing storage ring's linear optics from turn-by-turn (TbT) data containing measurement error is introduced. This approach adopts a Bayesian inference based on the Markov Chain Monte-Carlo (MCMC)…

Accelerator Physics · Physics 2019-07-01 Yue Hao , Yongjun Li , Michael Balcewicz , Leo Neufcourt , Weixing Cheng

Cross-Correlation random matrices have emerged as a promising indicator of phase transitions in spin systems. The core concept is that the evolution of magnetization encapsulates thermodynamic information [R. da Silva, Int. J. Mod. Phys. C,…

Statistical Mechanics · Physics 2024-08-19 Roberto da Silva , Sandra D. Prado

This paper considers Bayesian parameter estimation of dynamic systems using a Markov Chain Monte Carlo (MCMC) approach. The Metroplis-Hastings (MH) algorithm is employed, and the main contribution of the paper is to examine and illustrate…

Applications · Statistics 2021-10-18 Johannes Hendriks , Adrian Wills , Brett Ninness , Johan Dahlin

We consider the problem of finding the transition rates of a continuous-time homogeneous Markov chain under the empirical condition that the state changes at most once during a time interval of unit length. It is proven that this…

Probability · Mathematics 2023-06-01 Philippe Carette , Marie-Anne Guerry

There is an increase in interest to model driving maneuver patterns via the automatic unsupervised clustering of naturalistic sequential kinematic driving data. The patterns learned are often used in transportation research areas such as…

Machine Learning · Statistics 2023-11-14 Matthew Aguirre , Wenbo Sun , Jionghua , Jin , Yang Chen

The weak-coupled two-level open quantum system described by non-Markovian Time-convolution-less master equation is investigated in this paper. The cut-off frequency, coupling constant and transition frequency, which impact on the system's…

Quantum Physics · Physics 2014-01-08 Shuang Cong , Longzhen Hu , Fei Yang , Jianxiu Liu

The practical realization of beam steering mechanisms in millimeter wave communications has a large impact on performance. The key challenge is to find a pragmatic trade-off between throughput performance and the overhead of periodic beam…

Networking and Internet Architecture · Computer Science 2016-03-29 Adrian Loch , Irene Tejado , Joerg Widmer

Over the past few decades, the Hawkes process has become a popular framework for modeling temporal events thanks to its flexibility to capture different dependency structures. The objective of this work is to model call sequences emitted by…

Methodology · Statistics 2025-07-29 Anna Bonnet , Stéphane Robin