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Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the…

Chemical Physics · Physics 2026-05-19 Michael N. Sakano , Alejandro Strachan

We investigate a high-order, fully explicit, asymptotic-preserving scheme for a kinetic equation with linear relaxation, both in the hydrodynamic and diffusive scalings in which a hyperbolic, resp. parabolic, limiting equation exists. The…

Numerical Analysis · Mathematics 2014-05-21 Pauline Lafitte , Annelies Lejon , Giovanni Samaey

Model order reduction provides low-complexity high-fidelity surrogate models that allow rapid and accurate solutions of parametric differential equations. The development of reduced order models for parametric \emph{nonlinear} Hamiltonian…

Numerical Analysis · Mathematics 2024-09-30 Cecilia Pagliantini , Federico Vismara

Recently developed reduced-order modeling techniques aim to approximate nonlinear dynamical systems on low-dimensional manifolds learned from data. This is an effective approach for modeling dynamics in a post-transient regime where the…

Dynamical Systems · Mathematics 2023-09-27 Samuel E. Otto , Gregory R. Macchio , Clarence W. Rowley

We investigate the use of reduced-order modelling to run discrete element simulations at higher speeds. Taking a data-driven approach, we run many offline simulations in advance and train a model to predict the velocity field from the mass…

Computational Physics · Physics 2021-03-02 Erik Wallin , Martin Servin

Projection-based reduced order models rely on offline-online model decomposition, where the data-based energetic spatial basis is used in the expensive offline stage to obtain equations of reduced states that evolve in time during the…

Fluid Dynamics · Physics 2024-02-01 Aviral Prakash , Yongjie Jessica Zhang

Geophysical flow simulations using hyperbolic shallow water moment equations require an efficient discretization of a potentially large system of PDEs, the so-called moment system. This calls for tailored model order reduction techniques…

Numerical Analysis · Mathematics 2024-07-17 Julian Koellermeier , Philipp Krah , Jonas Kusch

Model reduction for fluid flow simulation continues to be of great interest across a number of scientific and engineering fields. In a previous work [arXiv:2104.13962], we explored the use of Neural Ordinary Differential Equations (NODE) as…

Machine Learning · Computer Science 2021-07-07 Sourav Dutta , Peter Rivera-Casillas , Orie M. Cecil , Matthew W. Farthing , Emma Perracchione , Mario Putti

Reduced order modeling has gained considerable attention in recent decades owing to the advantages offered in reduced computational times and multiple solutions for parametric problems. The focus of this manuscript is the application of…

Numerical Analysis · Mathematics 2018-11-21 Gianluigi Rozza , Haris Malik , Nicola Demo , Marco Tezzele , Michele Girfoglio , Giovanni Stabile , Andrea Mola

Computing reduced-order models using non-intrusive methods is particularly attractive for systems that are simulated using black-box solvers. However, obtaining accurate data-driven models can be challenging, especially if the underlying…

Mathematical Physics · Physics 2024-01-03 Alberto Padovan , Blaine Vollmer , Daniel J. Bodony

This work presents an interpretable parametric surrogate model motivated by the need to identify a hydrodynamic model for resolving the trajectory of an object in real-time. The surrogate is formulated as a reduced-order model for a…

A type of discrete Boltzmann model for simulating shallow water flows is derived by using the Hermite expansion approach. Through analytical analysis, we study the impact of truncating distribution function and discretizing particle…

Fluid Dynamics · Physics 2018-07-16 Jianping Meng , Xiao-Jun Gu , David R Emerson , Yong Peng , Jianmin Zhang

The numerical treatment of fluid-particle systems is a very challenging problem because of the complex coupling phenomena occurring between the two phases. Although accurate mathematical modelling is available to address this kind of…

Numerical Analysis · Mathematics 2024-03-22 Arash Hajisharifi , Rahul Halder , Michele Girfoglio , Andrea Beccari , Domenico Bonanni , Gianluigi Rozza

Large-scale simulations of time-dependent problems generate a massive amount of data and with the explosive increase in computational resources the size of the data generated by these simulations has increased significantly. This has…

Computational Engineering, Finance, and Science · Computer Science 2022-01-19 Shaghayegh Zamani Ashtiani , Mujeeb R. Malik , Hessam Babaee

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…

Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…

Chemical Physics · Physics 2025-09-10 Siu Wun Cheung , Youngsoo Choi , Jean-Luc Fattebert , Daniel Osei-Kuffuor

In fluid physics, data-driven models to enhance or accelerate solution methods are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In…

Reduced-order simulation is an emerging method for accelerating physical simulations with high DOFs, and recently developed neural-network-based methods with nonlinear subspaces have been proven effective in diverse applications as more…

Machine Learning · Computer Science 2024-09-09 Aoran Lyu , Shixian Zhao , Chuhua Xian , Zhihao Cen , Hongmin Cai , Guoxin Fang

Model reduction for fluid flow simulation continues to be of great interest across a number of scientific and engineering fields. Here, we explore the use of Neural Ordinary Differential Equations, a recently introduced family of…

Machine Learning · Computer Science 2021-04-30 Sourav Dutta , Peter Rivera-Casillas , Matthew W. Farthing

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle
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