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Solving optimization problems with unknown parameters often requires learning a predictive model to predict the values of the unknown parameters and then solving the problem using these values. Recent work has shown that including the…

Machine Learning · Computer Science 2020-10-23 Kai Wang , Bryan Wilder , Andrew Perrault , Milind Tambe

In this work we introduce RAPIDD, a surrogate model that speeds up the computation of the expected spectrum of dark matter particles in direct detection experiments. RAPIDD replaces the exact calculation of the dark matter differential rate…

High Energy Physics - Phenomenology · Physics 2018-09-17 D. G. Cerdeno , A. Cheek , E. Reid , H. Schulz

In the design optimization of metal forming, it is increasingly significant to use surrogate models to analyse the finite element analysis (FEA) simulations. However, traditional surrogate models using scalar based machine learning methods…

Computer Vision and Pattern Recognition · Computer Science 2020-10-08 Haosu Zhou , Qingfeng Xu , Nan Li

Modeling plays a critical role in additive manufacturing (AM), enabling a deeper understanding of underlying processes. Parametric solutions for such models are of great importance, enabling the optimization of production processes and…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Hesameddin Safari , Henning Wessels

We present a novel machine learning based surrogate modeling method for predicting spatially resolved 3D microstructure evolution of polycrystalline materials under uniaxial tensile loading. Our approach is orders of magnitude faster than…

Materials Science · Physics 2020-05-05 Anup Pandey , Reeju Pokharel

Data-driven surrogate models are widely used for applications such as design optimization and uncertainty quantification, where repeated evaluations of an expensive simulator are required. For most partial differential equation (PDE)…

Computational Physics · Physics 2019-10-18 Wei Xing , Robert M. Kirby , Shandian Zhe

AI-driven surrogate modeling has become an increasingly effective alternative to physics-based simulations for 3D design, analysis, and manufacturing. These models leverage data-driven methods to predict physical quantities traditionally…

Machine Learning · Computer Science 2025-05-06 Yu-hsuan Chen , Jing Bi , Cyril Ngo Ngoc , Victor Oancea , Jonathan Cagan , Levent Burak Kara

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

We introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical…

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

Machine Learning · Computer Science 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos

In astrophysical simulations, nuclear reacting flows pose computational challenges due to the stiffness of reaction networks. We introduce neural network-based surrogate models using the DeePODE framework to enhance simulation efficiency…

Instrumentation and Methods for Astrophysics · Physics 2025-10-14 Xiaoyu Zhang , Yuxiao Yi , Lile Wang , Zhi-Qin John Xu , Tianhan Zhang , Yao Zhou

Parametric reduced-order modelling often serves as a surrogate method for hemodynamics simulations to improve the computational efficiency in many-query scenarios or to perform real-time simulations. However, the snapshots of the method…

Computational Engineering, Finance, and Science · Computer Science 2023-10-24 Dongwei Ye , Valeria Krzhizhanovskaya , Alfons G. Hoekstra

Simulations of optical quantum systems are essential for the development of quantum technologies. However, these simulations are often computationally intensive, especially when repeated evaluations are required for data fitting, parameter…

Recent advances in combustion science have led to the generation of large volumes of data from high-fidelity simulations, detailed chemical-kinetic calculations and engine-relevant measurements and create new opportunities for data-driven…

Chemical Physics · Physics 2026-04-29 Amirali Shateri , Zhiyin Yang , Yuying Yan , Manosh C. Paul , Jianfei Xie

Despite their ubiquity, the rich physics present in a plasma sheath has inhibited the development of a generally applicable description of this critical region. The present study utilizes a physics-informed neural network (PINN) to evaluate…

Plasma Physics · Physics 2026-04-27 Ethan Webb , Yuzhi Li , Christopher McDevitt

During the design process of an autonomous underwater vehicle (AUV), the pressure vessel has a critical role. The pressure vessel contains dry electronics, power sources, and other sensors that can not be flooded. A traditional design…

Machine Learning · Computer Science 2022-07-12 Harsh Vardhan , Janos Sztipanovits

We present a framework for automatically structuring and training fast, approximate, deep neural surrogates of stochastic simulators. Unlike traditional approaches to surrogate modeling, our surrogates retain the interpretable structure and…

Chemical plant design and optimisation have proven challenging due to the complexity of these real-world systems. The resulting complexity translates into high computational costs for these systems' mathematical formulations and simulation…

Neural and Evolutionary Computing · Computer Science 2022-04-28 Liezl Stander , Matthew Woolway , Terence L. Van Zyl

This paper presents a neural network--enhanced surrogate modeling approach for diffusion problems with spatially varying random field coefficients. The method builds on numerical homogenization, which compresses fine-scale coefficients into…

Numerical Analysis · Mathematics 2025-09-17 Fabian Kröpfl , Daniel Peterseim , Elisabeth Ullmann

Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and…

Quantitative Methods · Quantitative Biology 2025-10-24 Tien Comlekoglu , J. Quetzalcoatl Toledo-Marín , Douglas W. DeSimone , Shayn M. Peirce , Geoffrey Fox , James A. Glazier