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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 present an efficient data-driven regression approach for constructing reduced-order models (ROMs) of reaction-diffusion systems exhibiting pattern formation. The ROMs are learned non-intrusively from available training data of physically…

Pattern Formation and Solitons · Physics 2025-08-12 Alessandro Alla , Rudy Geelen , Hannah Lu

Spatio-temporal kriging is an important problem in web and social applications, such as Web or Internet of Things, where things (e.g., sensors) connected into a web often come with spatial and temporal properties. It aims to infer knowledge…

Machine Learning · Computer Science 2023-02-07 Chuanpan Zheng , Xiaoliang Fan , Cheng Wang , Jianzhong Qi , Chaochao Chen , Longbiao Chen

With computational models becoming more expensive and complex, surrogate models have gained increasing attention in many scientific disciplines and are often necessary to conduct sensitivity studies, parameter optimization etc. In the…

Methodology · Statistics 2023-07-24 Matthias Fischer , Carsten Proppe

This paper presents a physics and data co-driven surrogate modeling method for efficient rare event simulation of civil and mechanical systems with high-dimensional input uncertainties. The method fuses interpretable low-fidelity physical…

Computation · Statistics 2024-05-10 Jianhua Xian , Ziqi Wang

Across scientific domains, generating new models or optimizing existing ones while meeting specific criteria is crucial. Traditional machine learning frameworks for guided design use a generative model and a surrogate model (discriminator),…

Machine Learning · Computer Science 2024-05-29 Nataša Tagasovska , Vladimir Gligorijević , Kyunghyun Cho , Andreas Loukas

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Data-driven constitutive modeling is an emerging field in computational solid mechanics with the prospect of significantly relieving the computational costs of hierarchical computational methods. Traditionally, these surrogates have been…

Computational Engineering, Finance, and Science · Computer Science 2022-04-20 Jan Niklas Fuhg , Nikolaos Bouklas

Flexible spacecraft structures present significant challenges for physical and control system design due to nonlinear dynamics, mission constraints, environmental variables, and changing operational conditions. This paper presents a…

Systems and Control · Electrical Eng. & Systems 2026-01-13 Matthew Hilsenrath , Daniel R. Herber

A data-driven framework for spatial-temporal prediction is proposed for reducing the computational cost of industrial thermal striping applications. The framework aims to efficiently identify the flow features and utilize them in…

Fluid Dynamics · Physics 2023-06-01 Yu-Jou Wang , Emilio Baglietto , Koroush Shirvan

We demonstrate the adaption of three established methods to the field of surrogate machine learning model development. These methods are data augmentation, custom loss functions and transfer learning. Each of these methods have seen…

Machine Learning · Computer Science 2022-11-04 H. Rhys Jones , Tingting Mu , Andrei C. Popescu , Yusuf Sulehman

This paper develops a surrogate model refinement approach for the simulation of dynamical systems and the solution of optimization problems governed by dynamical systems in which surrogates replace expensive-to-compute state- and…

Optimization and Control · Mathematics 2025-09-08 Jonathan R. Cangelosi , Matthias Heinkenschloss

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Matthew Bossart , Jose Daniel Lara , Ciaran Roberts , Rodrigo Henriquez-Auba , Duncan Callaway , Bri-Mathias Hodge

Error-bounded lossy compression techniques have become vital for scientific data management and analytics, given the ever-increasing volume of data generated by modern scientific simulations and instruments. Nevertheless, assessing data…

Machine Learning · Computer Science 2025-12-29 Khondoker Mirazul Mumenin , Robert Underwood , Dong Dai , Jinzhen Wang , Sheng Di , Zarija Lukić , Franck Cappello

Structured reduced-order modeling is a central component in the computer-aided design of control systems in which cheap-to-evaluate low-dimensional models with physically meaningful internal structures are computed. In this work, we develop…

Numerical Analysis · Mathematics 2026-05-25 Sean Reiter , Steffen W. R. Werner

The aim of the present paper is to develop a strategy for solving reliability-based design optimization (RBDO) problems that remains applicable when the performance models are expensive to evaluate. Starting with the premise that…

Methodology · Statistics 2011-04-20 V. Dubourg , B. Sudret , J. -M. Bourinet

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive. Their effectiveness, however, is often limited by data…

Machine Learning · Computer Science 2026-03-03 Bingran Wang , Seongha Jeong , Sebastiaan P. C. van Schie , Dongyeon Han , Jaeho Min , John T. Hwang

We develop a systematic approach for surrogate model construction in reduced input parameter spaces. A sparse set of model evaluations in the original input space is used to approximate derivative based global sensitivity measures (DGSMs)…

Applications · Statistics 2018-06-19 Manav Vohra , Alen Alexanderian , Cosmin Safta , Sankaran Mahadevan

It is challenging to perform system identification on soft robots due to their underactuated, high-dimensional dynamics. In this work, we present a data-driven modeling framework, based on geometric mechanics (also known as gauge theory)…

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba