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Molecular simulations can provide microscopic insight into the physical and chemical driving forces of complex molecular processes. Despite continued advancement of simulation methodology, model errors may lead to inconsistencies between…

Chemical Physics · Physics 2016-02-12 Joseph F. Rudzinski , Kurt Kremer , Tristan Bereau

Under certain conditions, the dynamics of coarse-grained models of solvated proteins can be described using a Markov state model, which tracks the evolution of populations of configurations. The transition rates among states that appear in…

Soft Condensed Matter · Physics 2022-09-26 Margarita Colberg , Jeremy Schofield

Time-dependent density matrix renormalization group method with a matrix product ansatz is employed for explicit computation of non-equilibrium steady state density operators of several integrable and non-integrable quantum spin chains,…

Quantum Physics · Physics 2012-03-06 Tomaz Prosen , Marko Znidaric

Markov population models (MPMs) are a widely used modelling formalism in the area of computational biology and related areas. The semantics of a MPM is an infinite-state continuous-time Markov chain. In this paper, we use the established…

Numerical Analysis · Computer Science 2014-06-10 David Spieler , Ernst Moritz Hahn , Lijun Zhang

The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…

High Energy Physics - Experiment · Physics 2024-07-16 Francesco Vaselli , Filippo Cattafesta , Patrick Asenov , Andrea Rizzi

Gaussian process state-space models (GPSSMs) offer a principled framework for learning and inference in nonlinear dynamical systems with uncertainty quantification. However, existing GPSSMs are limited by the use of multiple independent…

Machine Learning · Statistics 2025-12-11 Zhidi Lin , Ying Li , Feng Yin , Juan Maroñas , Alexandre H. Thiéry

We analyze a stochastic process resulting from the normalization of states in the zeroth-order optimization method CMA-ES. On a specific class of minimization problems where the objective function is scaling-invariant, this process defines…

Optimization and Control · Mathematics 2024-10-02 Armand Gissler , Shan-Conrad Wolf , Anne Auger , Nikolaus Hansen

Preparation of quantum thermal states of many-body systems is a key computational challenge for quantum processors, with applications in physics, chemistry, and classical optimization. We provide a simple and efficient algorithm for thermal…

Quantum Physics · Physics 2026-03-18 Jerome Lloyd , Dmitry A. Abanin

In Formal Languages and Automata Theory courses, students find understanding nondeterministic finite-state and pushdown automata difficult. In many cases, this means that it is challenging for them to comprehend the operational semantics of…

Formal Languages and Automata Theory · Computer Science 2025-08-06 Marco T. Morazán , David Anthony K. Fields , Andrés M. Garced , Tijana Minić

Large Reasoning Models (LRMs) solve complex tasks by generating long Chain-of-Thought (CoT) sequences; however, the emergent dynamics governing reasoning trajectories are not well understood and can lead to inconsistencies and reasoning…

Artificial Intelligence · Computer Science 2026-05-29 G M Shahariar , Erfan Shayegani , Ali Nazari , Nael Abu-Ghazaleh

In this paper, the problem of non-fragile finite-time stabilization for linear discrete mean-field stochastic systems is studied. The uncertain characteristics in control parameters are assumed to be random satisfying the Bernoulli…

Optimization and Control · Mathematics 2023-01-24 Tianliang Zhang , Feiqi Deng , Peng Shi

(Please refer to arXiv:1810.08050, which has completely different aims but contains all the main contents of this paper) In this work, we propose to access the information of criticality and excitations of one-dimensional quantum systems by…

Strongly Correlated Electrons · Physics 2018-10-22 Emanuele Tirrito , Luca Tagliacozzo , Maciej Lewenstein , Shi-Ju Ran

This paper presents a method for calculating steady state probabilities of $M|E_r|c|K$ queueing systems. The infinitesimal generator matrix is used to define all possible states in the system and their transition probabilities. While this…

Systems and Control · Computer Science 2014-01-21 Stefan Hochrainer , Ronald Hochreiter , Georg Pflug

This paper delves into the problem of computing robust controlled invariants for monotone continuous-time systems, with a specific focus on lower-closed specifications. We consider the classes of state monotone (SM) and control-state…

Systems and Control · Electrical Eng. & Systems 2024-05-27 Emmanuel Junior Wafo Wembe , Adnane Saoud

Molecular motors are in charge of almost every process in the life cycle of cells, such as protein synthesis, DNA replication, and cell locomotion, hence being of crucial importance for understanding the cellular dynamics. However, given…

Statistical Mechanics · Physics 2025-09-05 Adrián Nadal-Rosa , Gonzalo Manzano

We present an algorithm for studying quantum systems at finite temperature using continuous matrix product operator representation. The approach handles both short-range and long-range interactions in the thermodynamic limit without…

Strongly Correlated Electrons · Physics 2020-10-27 Wei Tang , Hong-Hao Tu , Lei Wang

Timed Concurrent State Machines are an application of Alur's Timed Automata concept to coincidence-based (rather than interleaving) CSM modeling technique. TCSM support the idea of testing automata, allowing to specify time properties…

Logic in Computer Science · Computer Science 2017-10-24 Wiktor B. Daszczuk

We analyze a periodic optimal finite-time two-state information-driven machine that extracts work from a single heat bath exploring imperfect measurements. Two models are considered, a memory-less one that ignores past measurements and an…

Statistical Mechanics · Physics 2014-09-26 Michael Bauer , Andre C. Barato , Udo Seifert

For a single enzyme or molecular motor operating in an aqueous solution of non-equilibrated solute concentrations, a thermodynamic description is developed on the level of an individual trajectory of transitions between states. The concept…

Statistical Mechanics · Physics 2012-05-21 Udo Seifert

We examine an analytic variational inference scheme for the Gaussian Process State Space Model (GPSSM) - a probabilistic model for system identification and time-series modelling. Our approach performs variational inference over both the…

Machine Learning · Statistics 2018-12-11 Alessandro Davide Ialongo , Mark van der Wilk , Carl Edward Rasmussen
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