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Time-dependent orbital-free DFT is an efficient method for calculating the dynamic properties of large scale quantum systems due to the low computational cost compared to standard time-dependent DFT. We formalize this method by mapping the…

Chemical Physics · Physics 2021-06-09 Kaili Jiang , Michele Pavanello

Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant…

Machine Learning · Computer Science 2021-10-04 Shaan Desai , Marios Mattheakis , David Sondak , Pavlos Protopapas , Stephen Roberts

We present a gradient-based identification algorithm to identify the system matrices of a linear port-Hamiltonian system from given input-output time data. Aiming for a direct structure-preserving approach, we employ techniques from optimal…

Optimization and Control · Mathematics 2023-12-22 Michael Günther , Birgit Jacob , Claudia Totzeck

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

State estimation is key to both analyzing physical mechanisms and enabling real-time control of fluid flows. A common estimation approach is to relate sensor measurements to a reduced state governed by a reduced-order model (ROM). (When…

Fluid Dynamics · Physics 2020-06-10 Nirmal J. Nair , Andres Goza

Recently, we have demonstrated that our approach is a highly effective tool while analysing complex phenomena existing in networks of coupled nonlinear systems. In the present article we present the results of our investigations into a…

Dynamical Systems · Mathematics 2025-07-04 Volodymyr Denysenko , Artur Dabrowski

This paper presents a rigorous evaluation of Real-to-Sim parameter estimation approaches for fabric manipulation in robotics. The study systematically assesses three state-of-the-art approaches, namely two differential pipelines and a…

Robotics · Computer Science 2025-03-21 Yingdong Ru , Lipeng Zhuang , Zhuo He , Florent P. Audonnet , Gerardo Aragon-Caramasa

High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research…

Plasma Physics · Physics 2025-10-14 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

Dynamic Mode Decomposition (DMD) is a model-order reduction approach, whereby spatial modes of fixed temporal frequencies are extracted from numerical or experimental data sets. The DMD low-rank or reduced operator is typically obtained by…

Numerical Analysis · Mathematics 2023-01-25 Quincy A. Huhn , Mauricio E. Tano , Jean C. Ragusa , Youngsoo Choi

We present a numerical framework for recovering unknown non-autonomous dynamical systems with time-dependent inputs. To circumvent the difficulty presented by the non-autonomous nature of the system, our method transforms the solution state…

Signal Processing · Electrical Eng. & Systems 2020-06-04 Tong Qin , Zhen Chen , John Jakeman , Dongbin Xiu

We present a novel reduced-order fluid simulation technique leveraging Dynamic Mode Decomposition (DMD) to achieve fast, memory-efficient, and user-controllable subspace simulation. We demonstrate that our approach combines the strengths of…

We present a new scientific machine learning method that learns from data a computationally inexpensive surrogate model for predicting the evolution of a system governed by a time-dependent nonlinear partial differential equation (PDE), an…

Numerical Analysis · Mathematics 2022-02-28 Elizabeth Qian , Ionut-Gabriel Farcas , Karen Willcox

Shape optimization is a challenging task in many engineering fields, since the numerical solutions of parametric system may be computationally expensive. This work presents a novel optimization procedure based on reduced order modeling,…

Numerical Analysis · Mathematics 2018-11-07 Nicola Demo , Marco Tezzele , Gianluca Gustin , Gianpiero Lavini , Gianluigi Rozza

We demonstrate that embedding physics-driven constraints into machine learning process can dramatically improve accuracy and generalizability of the resulting model. Physics-informed learning is illustrated on the example of analysis of…

Computational Physics · Physics 2021-12-16 Abantika Ghosh , Mohannad Elhamod , Jie Bu , Wei-Cheng Lee , Anuj Karpatne , Viktor A Podolskiy

Second-order statistics play a crucial role in analysing point processes. Previous research has specifically explored locally weighted second-order statistics for point processes, offering diagnostic tests in various spatial domains.…

Methodology · Statistics 2024-04-17 Nicoletta D'Angelo , Giada Adelfio , Jorge Mateu , Ottmar Cronie

We provide a method to identify system parameters of dynamical systems, called ID-ODE -- Inference by Differentiation and Observing Delay Embeddings. In this setting, we are given a dataset of trajectories from a dynamical system with…

Machine Learning · Computer Science 2022-11-17 Alex Tong Lin , Adrian S. Wong , Robert Martin , Stanley J. Osher , Daniel Eckhardt

Estimating and quantifying uncertainty in unknown system parameters from limited data remains a challenging inverse problem in a variety of real-world applications. While many approaches focus on estimating constant parameters, a subset of…

Methodology · Statistics 2023-05-09 Andrea Arnold

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

Motion trajectories offer reliable references for physics-based motion learning but suffer from sparsity, particularly in regions that lack sufficient data coverage. To address this challenge, we introduce a self-supervised, structured…

Machine Learning · Computer Science 2024-02-22 Chenhao Li , Elijah Stanger-Jones , Steve Heim , Sangbae Kim

In recent years, large-scale numerical simulations played an essential role in estimating the effects of explosion events in urban environments, for the purpose of ensuring the security and safety of cities. Such simulations are…