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Energy transport equations are derived directly from full molecular dynamics models as coarse-grained description. With the local energy chosen as the coarse-grained variables, we apply the Mori-Zwanzig formalism to derive a reduced model,…

Statistical Mechanics · Physics 2017-09-19 Weiqi Chu , Xiantao Li

We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion…

Chemical Physics · Physics 2016-05-25 Andrés Montoya-Castillo , David. R. Reichman

Mathematical approaches from dynamical systems theory are used in a range of fields. This includes biology where they are used to describe processes such as protein-protein interaction and gene regulatory networks. As such networks increase…

Numerical Analysis · Mathematics 2020-11-05 Edgar Herrera-Delgado , James Briscoe , Peter Sollich

Recent advances in learning dynamical systems from data have shown significant promise. However, many existing methods assume access to the full state of the system -- an assumption that is rarely satisfied in practice, where systems are…

Machine Learning · Computer Science 2026-03-10 Thibault Monsel , Onofrio Semeraro , Lionel Mathelin , Guillaume Charpiat

A data-driven parametric model order reduction (MOR) method using a deep artificial neural network is proposed. The present network, which is the least-squares hierarchical variational autoencoder (LSH-VAE), is capable of performing…

Machine Learning · Computer Science 2023-07-14 SiHun Lee , Sangmin Lee , Kijoo Jang , Haeseong Cho , SangJoon Shin

The Dynamic Mode Decomposition has proved to be a very efficient technique to study dynamic data. This is entirely a data-driven approach that extracts all necessary information from data snapshots which are commonly supposed to be sampled…

Numerical Analysis · Mathematics 2023-02-01 Aleksandr Katrutsa , Sergey Utyuzhnikov , Ivan Oseledets

In this paper, we introduce a modular deep neural network (DNN) framework for data-driven reduced order modeling of dynamical systems relevant to fluid flows. We propose various deep neural network architectures which numerically predict…

Computational Physics · Physics 2019-09-04 S. Pawar , S. M. Rahman , H. Vaddireddy , O. San , A. Rasheed , P. Vedula

The Dynamic-Mode Decomposition (DMD) is a well established data-driven method of finding temporally evolving linear-mode decompositions of nonlinear time series. Traditionally, this method presumes that all relevant dimensions are sampled…

Dynamical Systems · Mathematics 2021-01-13 Christopher W. Curtis , Daniel Jay Alford-Lago

Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in…

Computational Physics · Physics 2024-03-12 Mauricio J. del Razo , Daan Crommelin , Peter G. Bolhuis

Deriving closed-form, analytical expressions for reduced-order models, and judiciously choosing the closures leading to them, has long been the strategy of choice for studying phase- and noise-induced transitions for agent-based models…

Only a subset of degrees of freedom are typically accessible or measurable in real-world systems. As a consequence, the proper setting for empirical modeling is that of partially-observed systems. Notably, data-driven models consistently…

Statistical Mechanics · Physics 2023-04-18 Adam Rupe , Velimir V. Vesselinov , James P. Crutchfield

This work formulates a new approach to reduced modeling of parameterized, time-dependent partial differential equations (PDEs). The method employs Operator Inference, a scientific machine learning framework combining data-driven learning…

Computational Engineering, Finance, and Science · Computer Science 2025-06-16 Shane A McQuarrie , Parisa Khodabakhshi , Karen E Willcox

The numerical simulation of electromagnetic transients in fusion devices is essential for analyzing plasma stability and disruptive events. However, it remains computationally demanding due to the large-scale dense systems arising from…

Numerical Analysis · Mathematics 2026-05-28 Salvatore Ventre

Reduced-order modeling has a long tradition in computational fluid dynamics. The ever-increasing significance of data for the synthesis of low-order models is well reflected in the recent successes of data-driven approaches such as Dynamic…

Dynamical Systems · Mathematics 2020-12-09 Peter Benner , Pawan Goyal , Jan Heiland , Igor Pontes Duff

This work presents a purely data-driven, wavelet-based framework for modal identification and reduced-order modeling of mechanical systems with assumed linear dynamics characterized by closely spaced modes with classical or non-classical…

Signal Processing · Electrical Eng. & Systems 2025-10-28 Anargyros Michaloliakos , Benjamin J. Chang , Lawrence A. Bergman , Alexander F. Vakakis

In this chapter we review stochastic modelling methods in climate science. First we provide a conceptual framework for stochastic modelling of deterministic dynamical systems based on the Mori-Zwanzig formalism. The Mori-Zwanzig equations…

Atmospheric and Oceanic Physics · Physics 2016-12-23 Georg A. Gottwald , Daan T. Crommelin , Christian L. E. Franzke

We establish a time-stepping learning algorithm and apply it to predict the solution of the partial differential equation of motion in micromagnetism as a dynamical system depending on the external field as parameter. The data-driven…

Computational Physics · Physics 2021-02-02 Lukas Exl , Norbert J. Mauser , Thomas Schrefl , Dieter Suess

Recent research in non-intrusive data-driven model order reduction (MOR) enabled accurate and efficient approximation of parameterized ordinary differential equations (ODEs). However, previous studies have focused on constant parameters,…

Dynamical Systems · Mathematics 2021-10-27 Jonas Kneifl , Julian Hay , Jörg Fehr

A novel approach to reduced-order modeling of high-dimensional time varying systems is proposed. It leverages the formalism of the Dynamic Mode Decomposition technique together with the concept of balanced realization. It is assumed that…

Systems and Control · Electrical Eng. & Systems 2021-06-01 Andrea Iannelli , Urban Fasel , Roy S. Smith

Generally, reduced order models of fluid flows are obtained by projecting the Navier-Stokes equations onto a reduced subspace spanned by vector functions that carry the meaningful information of the dynamics. A common method to generate…

Fluid Dynamics · Physics 2023-09-22 M. Oulghelou , A. Ammar , R. Ayoub