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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

Sequential algorithms are popular for experimental design, enabling emulation, optimisation and inference to be efficiently performed. For most of these applications bespoke software has been developed, but the approach is general and many…

Computation · Statistics 2021-10-18 Matthew A. Fisher , Onur Teymur , Chris. J. Oates

We consider optimal experimental design (OED) for Bayesian inverse problems, where the experimental design variables have a certain multiway structure. Given $d$ different experimental variables with $m_i$ choices per design variable $1 \le…

Numerical Analysis · Mathematics 2025-06-03 Hugo Díaz , Arvind K. Saibaba , Srinivas Eswar , Vishwas Rao , Zichao Wendy Di

We consider optimal experimental design (OED) problems in selecting the most informative observation sensors to estimate model parameters in a Bayesian framework. Such problems are computationally prohibitive when the…

Computational Engineering, Finance, and Science · Computer Science 2024-09-10 Jinwoo Go , Peng Chen

A design optimization framework for process parameters of additive manufacturing based on finite element simulation is proposed. The finite element method uses a coupled thermomechanical model developed for fused deposition modeling from…

Numerical Analysis · Mathematics 2025-01-29 Jingyi Wang , Panayiotis Papadopoulos

We develop a new computational framework to solve sequential Bayesian optimal experimental design (SBOED) problems constrained by large-scale partial differential equations with infinite-dimensional random parameters. We propose an adaptive…

Computational Engineering, Finance, and Science · Computer Science 2024-10-04 Jinwoo Go , Peng Chen

Bayesian optimization (BO) is an approach to globally optimizing black-box objective functions that are expensive to evaluate. BO-powered experimental design has found wide application in materials science, chemistry, experimental physics,…

Machine Learning · Computer Science 2023-10-10 Mimi Zhang , Andrew Parnell , Dermot Brabazon , Alessio Benavoli

Black-box variational inference (BBVI) with Gaussian mixture families offers a flexible approach for approximating complex posterior distributions without requiring gradients of the target density. However, standard numerical optimization…

Machine Learning · Computer Science 2026-05-29 Baojun Che , Yifan Chen , Daniel Zhengyu Huang , Xinying Mao , Weijie Wang

A high fidelity fluid-structure interaction simulation may require many days to run, on hundreds of cores. This poses a serious burden, both in terms of time and economic considerations, when repetitions of such simulations may be required…

Computational Engineering, Finance, and Science · Computer Science 2021-04-12 Wensi Wu , Christophe Bonneville , Christopher J. Earls

We consider parallel global optimization of derivative-free expensive-to-evaluate functions, and propose an efficient method based on stochastic approximation for implementing a conceptual Bayesian optimization algorithm proposed by…

Machine Learning · Statistics 2019-05-07 Jialei Wang , Scott C. Clark , Eric Liu , Peter I. Frazier

We consider the Ensemble Kalman Inversion which has been recently introduced as an efficient, gradient-free optimisation method to estimate unknown parameters in an inverse setting. In the case of large data sets, the Ensemble Kalman…

Numerical Analysis · Mathematics 2023-12-05 Matei Hanu , Jonas Latz , Claudia Schillings

Bayesian optimal design of experiments (BODE) has been successful in acquiring information about a quantity of interest (QoI) which depends on a black-box function. BODE is characterized by sequentially querying the function at specific…

Optimization and Control · Mathematics 2019-01-16 Piyush Pandita , Ilias Bilionis , Jitesh Panchal

Motivated by variational inference methods, we propose a zeroth-order algorithm for solving optimization problems in the space of Gaussian probability measures. The algorithm is based on an interacting system of Gaussian particles that…

Optimization and Control · Mathematics 2026-05-15 Giacomo Borghi , José A. Carrillo

Optimal design is a critical yet challenging task within many applications. This challenge arises from the need for extensive trial and error, often done through simulations or running field experiments. Fortunately, sequential optimal…

Machine Learning · Computer Science 2025-03-25 Xubo Yue , Raed Al Kontar , Albert S. Berahas , Yang Liu , Blake N. Johnson

Bayesian optimization (BO) has become an effective approach for black-box function optimization problems when function evaluations are expensive and the optimum can be achieved within a relatively small number of queries. However, many…

Machine Learning · Statistics 2018-08-06 Zi Wang , Clement Gehring , Pushmeet Kohli , Stefanie Jegelka

Bayesian calibration is widely used for inverse analysis and uncertainty analysis for complex systems in the presence of both computer models and observation data. In the present work, we focus on large-scale fluid-structure interaction…

Numerical Analysis · Mathematics 2022-01-03 Shunxiang Cao , Daniel Zhengyu Huang

We study the problem of selecting $k$ experiments from a larger candidate pool, where the goal is to maximize mutual information (MI) between the selected subset and the underlying parameters. Finding the exact solution is to this…

Machine Learning · Statistics 2024-02-26 Fengyi Li , Ayoub Belhadji , Youssef Marzouk

Optimal design facilitates intelligent data collection. In this paper, we introduce a fully Bayesian design approach for spatial processes with complex covariance structures, like those typically exhibited in natural ecosystems. Coordinate…

Using Kalman techniques, it is possible to perform optimal estimation in linear Gaussian state-space models. We address here the case where the noise probability density functions are of unknown functional form. A flexible Bayesian…

Statistics Theory · Mathematics 2009-11-13 François Caron , Manuel Davy , Arnaud Doucet , Emmanuel Duflos , Philippe Vanheeghe

In inverse problems, the goal is to estimate unknown model parameters from noisy observational data. Traditionally, inverse problems are solved under the assumption of a fixed forward operator describing the observation model. In this…

Numerical Analysis · Mathematics 2024-09-26 Simon Weissmann , Neil K. Chada , Xin T. Tong