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Deep unrolling, or unfolding, is an emerging learning-to-optimize method that unrolls a truncated iterative algorithm in the layers of a trainable neural network. However, the convergence guarantees and generalizability of the unrolled…

Machine Learning · Computer Science 2024-12-02 Samar Hadou , Navid NaderiAlizadeh , Alejandro Ribeiro

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu

The theory-guided convolutional neural network (TgCNN) framework, which can incorporate discretized governing equation residuals into the training of convolutional neural networks (CNNs), is extended to two-phase porous media flow problems…

Geophysics · Physics 2022-08-15 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

Neural networks have become a powerful tool as surrogate models to provide numerical solutions for scientific problems with increased computational efficiency. This efficiency can be advantageous for numerically challenging problems where…

Machine Learning · Statistics 2023-10-25 Pelin Ersin , Emma Hayes , Peter Matthews , Paramjyoti Mohapatra , Elisa Negrini , Karl Schulz

Surrogate models (including deep neural networks and other machine learning algorithms in supervised learning) are capable of approximating arbitrarily complex, high-dimensional input-output problems in science and engineering, but require…

Machine Learning · Computer Science 2025-12-17 Miguel Sánchez-Domínguez , Lucas Lacasa , Javier de Vicente , Gonzalo Rubio , Eusebio Valero

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

Determining the proper level of details to develop and solve physical models is usually difficult when one encounters new engineering problems. Such difficulty comes from how to balance the time (simulation cost) and accuracy for the…

Artificial Intelligence · Computer Science 2022-02-03 Randi Wang , Morad Behandish

Deep Learning research is advancing at a fantastic rate, and there is much to gain from transferring this knowledge to older fields like Computational Fluid Dynamics in practical engineering contexts. This work compares state-of-the-art…

Computational Physics · Physics 2020-10-01 Pierre Jacquier , Azzedine Abdedou , Vincent Delmas , Azzeddine Soulaimani

Machine learning applications such as finance and medicine demand accurate and justifiable predictions, barring most deep learning methods from use. In response, previous work combines decision trees with deep learning, yielding models that…

Computer Vision and Pattern Recognition · Computer Science 2021-01-29 Alvin Wan , Lisa Dunlap , Daniel Ho , Jihan Yin , Scott Lee , Henry Jin , Suzanne Petryk , Sarah Adel Bargal , Joseph E. Gonzalez

This article presents an original methodology for the prediction of steady turbulent aerodynamic fields. Due to the important computational cost of high-fidelity aerodynamic simulations, a surrogate model is employed to cope with the…

Fluid Dynamics · Physics 2019-12-05 Romain Dupuis , Jean-Christophe Jouhaud , Pierre Sagaut

Deep learning, particularly convolutional neural networks for image recognition, has been recently used in meteorology. One of the promising applications is developing a statistical surrogate model that converts the output images of…

Atmospheric and Oceanic Physics · Physics 2020-07-22 Tsuyoshi Thomas Sekiyama

Thrombosis involves processes spanning large-scale fluid flow to sub-cellular events such as platelet activation. Traditional CFD approaches often treat blood as a continuum, which can limit their ability to capture these microscale…

Fluid Dynamics · Physics 2025-03-18 Marco Laudato , Luca Manzari , Khemraj Shukla

An established way to improve the transferability of black-box evasion attacks is to craft the adversarial examples on an ensemble-based surrogate to increase diversity. We argue that transferability is fundamentally related to uncertainty.…

Machine Learning · Computer Science 2022-06-22 Martin Gubri , Maxime Cordy , Mike Papadakis , Yves Le Traon , Koushik Sen

Industry 4.0 targets the conversion of the traditional industries into intelligent ones through technological revolution. This revolution is only possible through innovation, optimization, interconnection, and rapid decision-making…

Machine Learning · Computer Science 2022-10-17 M. Rahman , Abid Khan , Sayeed Anowar , Md Al-Imran , Richa Verma , Dinesh Kumar , Kazuma Kobayashi , Syed Alam

This paper presents a novel learning-based approach to construct a surrogate problem that approximates a given parametric nonconvex optimization problem. The surrogate function is designed to be the minimum of a finite set of functions,…

Optimization and Control · Mathematics 2026-04-08 Renzi Wang , Panagiotis Patrinos , Alberto Bemporad

The shape of an object is an important characteristic for many vision problems such as segmentation, detection and tracking. Being independent of appearance, it is possible to generalize to a large range of objects from only small amounts…

Machine Learning · Statistics 2018-12-14 Alessandro Di Martino , Erik Bodin , Carl Henrik Ek , Neill D. F. Campbell

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

Hyperparameter optimization is the process of identifying the appropriate hyperparameter configuration of a given machine learning model with regard to a given learning task. For smaller data sets, an exhaustive search is possible; However,…

Machine Learning · Computer Science 2022-09-30 Blaž Škrlj , Adi Schwartz , Jure Ferlež , Davorin Kopič , Naama Ziporin
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