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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

Standard Bayesian inference schemes are infeasible for inverse problems with computationally expensive forward models. A common solution is to replace the model with a cheaper surrogate. To avoid overconfident conclusions, it is essential…

Methodology · Statistics 2026-01-09 Andrew Gerard Roberts , Michael Dietze , Jonathan H. Huggins

Data-driven surrogate models offer quick approximations to complex numerical and experimental systems but typically lack uncertainty quantification, limiting their reliability in safety-critical applications. While Bayesian methods provide…

Traditional deep neural networks (NNs) have significantly contributed to the state-of-the-art performance in the task of classification under various application domains. However, NNs have not considered inherent uncertainty in data…

Machine Learning · Computer Science 2021-05-05 Yibo Hu , Yuzhe Ou , Xujiang Zhao , Jin-Hee Cho , Feng Chen

Neural network potentials (NNPs) combine the computational efficiency of classical interatomic potentials with the high accuracy and flexibility of the ab initio methods used to create the training set, but can also result in unphysical…

Materials Science · Physics 2022-01-24 Leonid Kahle , Federico Zipoli

The widespread integration of deep neural networks in developing data-driven surrogate models for high-fidelity simulations of complex physical systems highlights the critical necessity for robust uncertainty quantification techniques and…

Computational Engineering, Finance, and Science · Computer Science 2024-05-15 Pratyush Kumar Singh , Kathryn A. Farrell-Maupin , Danial Faghihi

We present a fast surrogate for the Equivalent Photon Approximation (EPA) flux in ultraperipheral collisions (UPCs), based on a Bayesian neural network (BNN) trained over analytical flux integrals with an iterative procedure focused on…

High Energy Physics - Phenomenology · Physics 2026-02-12 Simone Ragoni , Janet Seger

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

The computationally expensive estimation of engineering demand parameters (EDPs) via finite element (FE) models, while considering earthquake and parameter uncertainty limits the use of the Performance Based Earthquake Engineering…

Machine Learning · Statistics 2022-06-14 Siddharth S. Parida , Supratik Bose , Megan Butcher , Georgios Apostolakis , Prashant Shekhar

Leveraging neural networks as surrogate models for turbulence simulation is a topic of growing interest. At the same time, embodying the inherent uncertainty of simulations in the predictions of surrogate models remains very challenging.…

Fluid Dynamics · Physics 2024-10-10 Qiang Liu , Nils Thuerey

The Linear Parameter-Varying (LPV) framework enables the construction of surrogate models of complex nonlinear and high-dimensional systems, facilitating efficient stability and performance analysis together with controller design. Despite…

Systems and Control · Electrical Eng. & Systems 2026-04-01 E. Javier Olucha , Valentin Preda , Amritam Das , Roland Tóth

The paper addresses Bayesian inferences in inverse problems with uncertainty quantification involving a computationally expensive forward map associated with solving a partial differential equations. To mitigate the computational cost, the…

Methodology · Statistics 2023-12-18 A. Galaviz , J. A. Christen , A. Capella

Fast machine learning-based surrogate models are trained to emulate slow, high-fidelity engineering simulation models to accelerate engineering design tasks. This introduces uncertainty as the surrogate is only an approximation of the…

Machine Learning · Statistics 2020-10-08 Paul Westermann , Ralph Evins

Obtaining reliable uncertainty estimates of neural network predictions is a long standing challenge. Bayesian neural networks have been proposed as a solution, but it remains open how to specify their prior. In particular, the common…

Machine Learning · Statistics 2019-07-02 Danijar Hafner , Dustin Tran , Timothy Lillicrap , Alex Irpan , James Davidson

Surrogate neural network-based models have been lately trained and used in a variety of science and engineering applications where the number of evaluations of a target function is limited by execution time. In cell phone camera systems,…

Computational Engineering, Finance, and Science · Computer Science 2022-06-29 Shantanu Shahane , Erman Guleryuz , Diab W Abueidda , Allen Lee , Joe Liu , Xin Yu , Raymond Chiu , Seid Koric , Narayana R Aluru , Placid M Ferreira

The Cellular-Potts model is a powerful and ubiquitous framework for developing computational models for simulating complex multicellular biological systems. Cellular-Potts models (CPMs) are often computationally expensive due to the…

Accurate calibration of finite element (FE) models is essential across various biomechanical applications, including human intervertebral discs (IVDs), to ensure their reliability and use in diagnosing and planning treatments. However,…

Many physics and engineering applications demand Partial Differential Equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven surrogate models provide an…

Machine Learning · Computer Science 2023-12-18 Raphaël Pestourie , Youssef Mroueh , Chris Rackauckas , Payel Das , Steven G. Johnson

For computational efficiency, surrogate models have been used to emulate mathematical simulators for physical or biological processes. High-speed simulation is crucial for conducting uncertainty quantification (UQ) when the simulation is…

Machine Learning · Computer Science 2022-11-21 Lixiang Zhang , Jia Li

Many current autonomous systems are being designed with a strong reliance on black box predictions from deep neural networks (DNNs). However, DNNs tend to be overconfident in predictions on unseen data and can give unpredictable results for…

Robotics · Computer Science 2019-03-04 Björn Lütjens , Michael Everett , Jonathan P. How
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