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Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For…

Machine Learning · Statistics 2022-09-28 Felix Schneider , Iason Papaioannou , Gerhard Müller

This project focuses on optimizing input parameters of a partial derivative function of a fine model using Neural network-based Space Mapping Optimization (SMO). The fine model is known for its high accuracy but is computationally…

Optimization and Control · Mathematics 2025-09-09 Dhruvil Kamleshkumar Kotecha

Learning optimal resource allocation policies in wireless systems can be effectively achieved by formulating finite dimensional constrained programs which depend on system configuration, as well as the adopted learning parameterization. The…

Systems and Control · Electrical Eng. & Systems 2020-12-02 Dionysios S. Kalogerias , Mark Eisen , George J. Pappas , Alejandro Ribeiro

This study demonstrates the feasibility of developing machine learning (ML) surrogates based on Recurrent Neural Networks (RNN) for predicting the unsteady aeroelastic response of transonic pitching and plunging wing-fuel tank sloshing…

Computational Engineering, Finance, and Science · Computer Science 2019-11-25 Shashank Srivastava , Murali Damodaran , Boo Cheong Khoo

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal…

Machine Learning · Computer Science 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

Engineering problems frequently require solution of governing equations with spatially-varying discontinuous coefficients. Even for linear elliptic problems, mapping large ensembles of coefficient fields to solutions can become a major…

Machine Learning · Computer Science 2024-11-12 Conlain Kelly , Surya R. Kalidindi

Motivated by problems from neuroimaging in which existing approaches make use of "mass univariate" analysis which neglects spatial structure entirely, but the full joint modelling of all quantities of interest is computationally infeasible,…

Methodology · Statistics 2022-04-19 Denishrouf Thesingarajah , Adam M. Johansen

This technical report describes a modular and extensible architecture for computing visual statistics in RoboCup SPL (MARIO), presented during the SPL Open Research Challenge at RoboCup 2022, held in Bangkok (Thailand). MARIO is an…

Computer Vision and Pattern Recognition · Computer Science 2022-09-22 Domenico D. Bloisi , Andrea Pennisi , Cristian Zampino , Flavio Biancospino , Francesco Laus , Gianluca Di Stefano , Michele Brienza , Rocchina Romano

We propose a multi-fidelity neural network surrogate sampling method for the uncertainty quantification of physical/biological systems described by ordinary or partial differential equations. We first generate a set of low/high-fidelity…

Numerical Analysis · Mathematics 2020-05-07 Mohammad Motamed

Process-based hydrologic models are invaluable tools for understanding the terrestrial water cycle and addressing modern water resources problems. However, many hydrologic models are computationally expensive and, depending on the…

Geophysics · Physics 2025-02-11 Timothy Dai , Kate Maher , Zach Perzan

Neural networks are increasingly used in complex (data-driven) simulations as surrogates or for accelerating the computation of classical surrogates. In many applications physical constraints, such as mass or energy conservation, must be…

Computational Physics · Physics 2020-02-25 Jim Magiera , Deep Ray , Jan S. Hesthaven , Christian Rohde

Physically plausible fluid simulations play an important role in modern computer graphics and engineering. However, in order to achieve real-time performance, computational speed needs to be traded-off with physical accuracy. Surrogate…

Fluid Dynamics · Physics 2021-05-19 Nils Wandel , Michael Weinmann , Reinhard Klein

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

Machine Learning · Computer Science 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

Parameter estimation and uncertainty quantification are crucial in computational cardiology, as they enable the construction of digital twins that faithfully replicate the behavior of physical patients. Robust and efficient mathematical…

Numerical Analysis · Mathematics 2022-10-07 Matteo Salvador , Francesco Regazzoni , Luca Dede' , Alfio Quarteroni

This study presents a methodology for surrogate optimization of cyclic adsorption processes, focusing on enhancing Pressure Swing Adsorption units for carbon dioxide ($CO_{2}$) capture. We developed and implemented a multiple-input,…

Chemical Physics · Physics 2023-12-08 Carine Menezes Rebello , Idelfonso B. R. Nogueira

Physics simulators are essential in science and engineering, enabling the analysis, control, and design of complex systems. In experimental sciences, they are increasingly used to automate experimental design, often via combinatorial search…

This study proposes a new discrete neural operator for surrogate modeling of transient Darcy flow fields in heterogeneous porous media with random parameters. The new method integrates temporal encoding, operator learning and UNet to…

Numerical Analysis · Mathematics 2025-12-04 Zhenglong Chen , Zhao Zhang , Xia Yan , Jiayu Zhai , Piyang Liu , Kai Zhang

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

The preliminary design of AUGs is intrinsically challenging due to the strong coupling between the external hydrodynamic shape, the hydrostatic balance, the structural integrity, and internal packaging constraints. This complexity is…

Computational Engineering, Finance, and Science · Computer Science 2026-02-10 Andrea Serani , Giorgio Palma , Jeroen Wackers , Matteo Diez
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