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Simulation-based inference (SBI) methods tackle complex scientific models with challenging inverse problems. However, SBI models often face a significant hurdle due to their non-differentiable nature, which hampers the use of gradient-based…

Machine Learning · Computer Science 2023-06-29 Vincent D. Zaballa , Elliot E. Hui

Stochastic optimization of engineering systems is often infeasible due to repeated evaluations of a computationally expensive, high-fidelity simulation. Bi-fidelity methods mitigate this challenge by leveraging a cheaper, approximate model…

Optimization and Control · Mathematics 2025-12-19 Thomas O. Dixon , Geoffrey F. Bomarito , James E. Warner , Alex A. Gorodetsky

The turbulent jet ignition concept using prechambers is a promising solution to achieve stable combustion at lean conditions in large gas engines, leading to high efficiency at low emission levels. Due to the wide range of design and…

Computational Engineering, Finance, and Science · Computer Science 2023-08-04 Stefan Posch , Clemens Gößnitzer , Franz Rohrhofer , Bernhard C. Geiger , Andreas Wimmer

To assess the possibility of evacuating a building in case of a fire, a standard method consists in simulating the propagation of fire, using finite difference methods and takes into account the random behavior of the fire, so that the…

Methodology · Statistics 2016-05-10 Rémi Stroh , Julien Bect , Séverine Demeyer , Nicolas Fischer , Emmanuel Vazquez

Multi-fidelity Kriging model is a promising technique in surrogate-based design as it can balance the model accuracy and cost of sample preparation by fusing low- and high-fidelity data. However, the cost for building a multi-fidelity…

Machine Learning · Computer Science 2023-01-03 Youwei He , Jinliang Luo

We propose a novel approach to optimize the design of heterogeneous materials, with the goal of enhancing their effective fracture toughness under mode-I loading. The method employs a Gaussian processes-based Bayesian optimization framework…

Optimization and Control · Mathematics 2023-03-29 Sukhminder Singh , Lukas Pflug , Julia Mergheim , Michael Stingl

Radiation symmetry evaluation is critical to the laser driven Inertial Confinement Fusion (ICF), which is usually done by solving a view-factor equation model. The model is nonlinear, and the number of equations can be very large when the…

Signal Processing · Electrical Eng. & Systems 2019-08-20 Yanfeng Zhang

Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative…

Computational Physics · Physics 2019-07-08 Akshay Iyer , Yichi Zhang , Aditya Prasad , Siyu Tao , Yixing Wang , Linda Schadler , L Catherine Brinson , Wei Chen

Highly accurate numerical or physical experiments are often time-consuming or expensive to obtain. When time or budget restrictions prohibit the generation of additional data, the amount of available samples may be too limited to provide…

Numerical Analysis · Mathematics 2021-12-22 Mengwu Guo , Andrea Manzoni , Maurice Amendt , Paolo Conti , Jan S. Hesthaven

A sustainable burn platform through inertial confinement fusion (ICF) has been an ongoing challenge for over 50 years. Mitigating engineering limitations and improving the current design involves an understanding of the complex coupling of…

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML) framework leveraging Gaussian processes (GP) to fuse atomistic computational model predictions across multiple levels of fidelity. Through the…

Computational Physics · Physics 2020-08-06 Anh Tran , Julien Tranchida , Tim Wildey , Aidan P. Thompson

Bayesian optimization is popular for optimizing time-consuming black-box objectives. Nonetheless, for hyperparameter tuning in deep neural networks, the time required to evaluate the validation error for even a few hyperparameter settings…

Machine Learning · Computer Science 2019-03-13 Jian Wu , Saul Toscano-Palmerin , Peter I. Frazier , Andrew Gordon Wilson

In this paper, we address the challenging problem of optimal experimental design (OED) of constrained inverse problems. We consider two OED formulations that allow reducing the experimental costs by minimizing the number of measurements.…

Numerical Analysis · Mathematics 2017-08-17 Lars Ruthotto , Julianne Chung , Matthias Chung

While many advanced statistical methods for the design of experiments exist, it is still typical for physical experiments to be performed adaptively based on human intuition. As a consequence, experimental resources are wasted on…

Methodology · Statistics 2025-03-04 Anton van Beek

Mechanisms are designed to perform functions in various fields. Often, there is no unique mechanism that performs a well-defined function. For example, vehicle suspensions are designed to improve driving performance and ride comfort, but…

Computational Physics · Physics 2025-05-26 Sumin Lee , Namwoo Kang

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and…

Computational Engineering, Finance, and Science · Computer Science 2026-01-01 Bach Do , Ruda Zhang

In computational inverse problems, it is common that a detailed and accurate forward model is approximated by a computationally less challenging substitute. The model reduction may be necessary to meet constraints in computing time when…

Methodology · Statistics 2018-02-14 Daniela Calvetti , Matthew M. Dunlop , Erkki Somersalo , Andrew M. Stuart

Stochastic process models are now commonly used to analyse complex biological, ecological and industrial systems. Increasingly there is a need to deliver accurate estimates of model parameters and assess model fit by optimizing the timing…

Computation · Statistics 2018-09-18 Colin S. Gillespie , Richard J. Boys

Bayesian Federated Learning (FL) has been recently introduced to provide well-calibrated Machine Learning (ML) models quantifying the uncertainty of their predictions. Despite their advantages compared to frequentist FL setups, Bayesian FL…

Machine Learning · Computer Science 2024-05-12 Luca Barbieri , Stefano Savazzi , Monica Nicoli

Most computational approaches to Bayesian experimental design require making posterior calculations repeatedly for a large number of potential designs and/or simulated datasets. This can be expensive and prohibit scaling up these methods to…

Computation · Statistics 2021-11-18 Dennis Prangle , Sophie Harbisher , Colin S Gillespie