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We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the dependence of the solution on the shape of the…

Numerical Analysis · Mathematics 2024-09-20 Linying Zhang , Stefano Pagani , Jun Zhang , Francesco Regazzoni

Computational Fluid Dynamics (CFD)-driven training combines machine learning (ML) with CFD solvers to develop physically consistent closure models with improved predictive accuracy. In the original framework, each ML-generated candidate…

Machine Learning · Computer Science 2025-12-23 Yuan Fang , Fabian Waschkowski , Maximilian Reissmann , Richard D. Sandberg , Takuo Oda , Koichi Tanimoto

Neural surrogate models for computational fluid dynamics (CFD) are typically trained as forward operators that map explicit problem specifications, such as geometry and boundary conditions, to solution fields. This ties the model to the…

Machine Learning · Computer Science 2026-05-29 Jonas Weidner , Yeray Martin-Ruisanchez , Daniel Rueckert , Benedikt Wiestler , Julian Suk

In this work we present a hybrid physics-based and data-driven learning approach to construct surrogate models for concurrent multiscale simulations of complex material behavior. We start from robust but inflexible physics-based…

Numerical Analysis · Mathematics 2023-02-01 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

We describe a novel framework for estimating subsurface properties, such as rock permeability and porosity, from time-lapse observed seismic data by coupling full-waveform inversion, subsurface flow processes, and rock physics models. For…

Geophysics · Physics 2020-05-06 Dongzhuo Li , Kailai Xu , Jerry M. Harris , Eric Darve

Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

Machine learning models play a vital role in time series forecasting. These models, however, often overlook an important element: point uncertainty estimates. Incorporating these estimates is crucial for effective risk management, informed…

Machine Learning · Computer Science 2024-09-11 Leonid Erlygin , Vladimir Zholobov , Valeriia Baklanova , Evgeny Sokolovskiy , Alexey Zaytsev

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

This study presents an integrated computational framework that, given synthesis parameters, predicts the resulting microstructural morphology and mechanical response of ceramic aerogel porous materials by combining physics-based simulations…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Md Azharul Islam , Dwyer Deighan , Shayan Bhattacharjee , Daniel Tantalo , Pratyush Kumar Singh , David Salac , Danial Faghihi

While proper orthogonal decomposition (POD)-based surrogates are widely explored for hydrodynamic applications, the use of Koopman autoencoders for real-world coastal-ocean modelling remains relatively limited. This paper introduces a…

Computational Engineering, Finance, and Science · Computer Science 2026-04-22 Freja Høgholm Petersen , Jesper Sandvig Mariegaard , Rocco Palmitessa , Allan P. Engsig-Karup

Normalizing flows and variational autoencoders are powerful generative models that can represent complicated density functions. However, they both impose constraints on the models: Normalizing flows use bijective transformations to model…

Machine Learning · Computer Science 2020-11-02 Didrik Nielsen , Priyank Jaini , Emiel Hoogeboom , Ole Winther , Max Welling

The quantification of uncertainties of computer simulations due to input parameter uncertainties is paramount to assess a model's credibility. For computationally expensive simulations, this is often feasible only via surrogate models that…

Methodology · Statistics 2021-08-30 Sascha Ranftl , Wolfgang von der Linden

The requirement for identifying accurate system representations has not only been a challenge to fulfill, but it has compromised the scalability of formal methods, as the resulting models are often too complex for effective decision making…

Systems and Control · Electrical Eng. & Systems 2025-10-20 Oliver Schön , Sofie Haesaert , Sadegh Soudjani

Geothermal field modeling is often associated with uncertainties related to the subsurface static properties and the dynamics of fluid flow and heat transfer. Uncertainty quantification using simulations is a useful tool to design optimum…

Geophysics · Physics 2021-12-13 Hussein Hoteit , Xupeng He , Bicheng Yan , Volker Vahrenkam

Fault zones exhibit complex and heterogeneous permeability structures influenced by stratigraphic, compositional, and structural factors, making them critical yet uncertain components in subsurface flow modeling. In this study, we…

Geophysics · Physics 2025-11-14 Hannah Lu , Lluıs Salo-Salgado , Ruben Juanes

Stochastic unit commitment models typically handle uncertainties in forecast demand by considering a finite number of realizations from a stochastic process model for loads. Accurate evaluations of expectations or higher moments for the…

Systems and Control · Computer Science 2014-07-09 Cosmin Safta , Richard L. Chen , Habib N. Najm , Ali Pinar , Jean-paul watson

In this article, we present a new data-driven shape optimization approach for implicit hydrofoil morphing via a polynomial perturbation of parametric level set representation. Without introducing any change in topology, the hydrofoil…

Fluid Dynamics · Physics 2023-01-16 Wrik Mallik , Rajeev K. Jaiman , Jasmin Jelovica

Accurate subsurface reservoir pressure control is extremely challenging due to geological heterogeneity and multiphase fluid-flow dynamics. Predicting behavior in this setting relies on high-fidelity physics-based simulations that are…

Machine Learning · Computer Science 2025-08-28 Harun Ur Rashid , Aleksandra Pachalieva , Daniel O'Malley

This study presents a surrogate model designed to predict the Nusselt number distribution in an enclosed impinging jet arrays, where each jet function independently and where jets can be transformed from inlets to outlets, leading to a vast…

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis