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This note provides an introduction to molecular dynamics, the computational implementation of the theory of statistical physics. The discussion is focused on the properties of Langevin dynamics, a degenerate stochastic differential equation…

Analysis of PDEs · Mathematics 2021-12-16 Gabriel Stoltz

A generic data-assisted control architecture within the port-Hamiltonian framework is proposed, introducing a physically meaningful observable that links conservative dynamics to all actuation, dissipation, and disturbance channels. A…

Systems and Control · Electrical Eng. & Systems 2025-09-12 Mostafa Eslami , Maryam Babazadeh

Modeling brain dynamics to better understand and control complex behaviors underlying various cognitive brain functions are of interests to engineers, mathematicians, and physicists from the last several decades. With a motivation of…

Neurons and Cognition · Quantitative Biology 2019-08-21 Benjamin Plaster , Gautam Kumar

This work presents a scalable control framework based on nonlinear Model Predictive Control for high-dimensional dynamical systems. The proposed approach addresses the key challenges of model scalability and partial observability by…

Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…

Computational Physics · Physics 2023-10-17 Jakub Rydzewski , Ming Chen , Omar Valsson

Differential equations containing memory terms that depend nonlinearly on past states model a variety of non-Markovian processes. In this study, we present a Markovian embedding procedure for such equations with distributed delay by…

Numerical Analysis · Mathematics 2025-12-05 Divya Jaganathan , Rahil N. Valani

In stochastic quantisation, quantum mechanical expectation values are computed as averages over the time history of a stochastic process described by a Langevin equation. Complex stochastic quantisation, though theoretically not rigorously…

High Energy Physics - Lattice · Physics 2014-08-18 Amel Durakovic , Emil Cortes Andre , Anders Tranberg

Reduced-order modeling lies at the interface of numerical analysis and data-driven scientific computing, providing principled ways to compress high-fidelity simulations in science and engineering. We propose a training framework that…

Computational Engineering, Finance, and Science · Computer Science 2026-01-13 Donglin Liu , Francisco García Atienza , Mengwu Guo

We introduce a machine-learning approach for identifying hidden structural features of open quantum dynamics under restricted experimental access. Unlike most existing data-driven methods which focus on detection or prediction of dynamical…

Quantum Physics · Physics 2026-04-02 Alexander Teretenkov , Sergey Kuznetsov , Alexander Pechen

Traditional energy-based learning models associate a single energy metric to each configuration of variables involved in the underlying optimization process. Such models associate the lowest energy state to the optimal configuration of…

Machine Learning · Computer Science 2020-04-10 Oindrila Chatterjee , Shantanu Chakrabartty

Learning interpretable representations of neural dynamics at a population level is a crucial first step to understanding how observed neural activity relates to perception and behavior. Models of neural dynamics often focus on either…

Machine Learning · Statistics 2025-01-13 Noga Mudrik , Yenho Chen , Eva Yezerets , Christopher J. Rozell , Adam S. Charles

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from…

Machine Learning · Computer Science 2022-05-26 Wei Liu , Zhilu Lai , Kiran Bacsa , Eleni Chatzi

Model-free data-driven computational mechanics replaces phenomenological constitutive functions by numerical simulations based on data sets of representative samples in stress-strain space. The distance of strain and stress pairs from the…

Computational Engineering, Finance, and Science · Computer Science 2021-11-29 Kerem Ciftci , Klaus Hackl

We consider an operator-based latent Markov representation of a stochastic nonlinear dynamical system, where the stochastic evolution of the latent state embedded in a reproducing kernel Hilbert space is described with the corresponding…

Machine Learning · Computer Science 2026-05-08 Naichang Ke , Ryogo Tanaka , Yoshinobu Kawahara

The developing of (non-Markovian) memory effects strongly depends on the underlying system-environment dynamics. Here we study this problem in multipartite arrangements where all subsystems are coupled to each other by non-diagonal…

Quantum Physics · Physics 2023-01-05 Adrián A. Budini

The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…

Machine Learning · Computer Science 2023-02-22 Jan N. Fuhg , Craig M. Hamel , Kyle Johnson , Reese Jones , Nikolaos Bouklas

Many experimental techniques aim at determining the Hamiltonian of a given system. The Hamiltonian describes the system's evolution in the absence of dissipation, and is often central to control or interpret an experiment. Here, we…

Mesoscale and Nanoscale Physics · Physics 2025-01-08 Vincent Dumont , Markus Bestler , Letizia Catalini , Gabriel Margiani , Oded Zilberberg , Alexander Eichler

We investigate the non-Markovian dynamics of two-state systems in structured reservoirs. We establish a connection between two theoretical quantum approaches, the pseudomodes [B. M. Garraway, Phys. Rev. A 55, 2290 (1997)] and the recently…

Quantum Physics · Physics 2015-05-13 L. Mazzola , S. Maniscalco , J. Piilo , K. -A. Suominen , B. Garraway

This paper presents a technique for reduced-order Markov modeling for compact representation of time-series data. In this work, symbolic dynamics-based tools have been used to infer an approximate generative Markov model. The time-series…

Machine Learning · Statistics 2017-09-28 Devesh K Jha , Nurali Virani , Jan Reimann , Abhishek Srivastav , Asok Ray

Accurate learning of system dynamics is becoming increasingly crucial for advanced control and decision-making in engineering. However, real-world systems often exhibit multiple channels and highly nonlinear transition dynamics, challenging…

Machine Learning · Statistics 2025-10-20 Tengjie Zheng , Jilan Mei , Di Wu , Lin Cheng , Shengping Gong