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High fidelity design evaluation processes such as Computational Fluid Dynamics and Finite Element Analysis are often replaced with data driven surrogates to reduce computational cost in engineering design optimization. However, building…

Machine Learning · Computer Science 2025-12-01 Sarthak Kapoor , Harsh Vardhan , Umesh Timalsina , Sumit Kumar , Peter Volgyesi , Janos Sztipanovits

Exploring ensemble simulations is increasingly important across many scientific domains. However, supporting flexible post-hoc exploration remains challenging due to the trade-off between storing the expensive raw data and flexibly…

Graphics · Computer Science 2026-04-09 Ziwei Li , Rumali Perera , Angus Forbes , Ken Moreland , Dave Pugmire , Scott Klasky , Wei-Lun Chao , Han-Wei Shen

This work aims at developing new methodologies to optimize computational costly complex systems (e.g., aeronautical engineering systems). The proposed surrogate-based method (often called Bayesian optimization) uses adaptive sampling to…

Decision-making in manufacturing often involves optimizing key process parameters using data collected from simulation experiments. Gaussian processes are widely used to surrogate the underlying system and guide optimization. Uncertainty…

Applications · Statistics 2025-07-30 Yezhuo Li , Qiong Zhang , Madhura Limaye , Gang Li

Machine learning surrogate emulators are needed in engineering design and optimization tasks to rapidly emulate computationally expensive physics-based models. In micromechanics problems the local full-field response variables are desired…

Computational Engineering, Finance, and Science · Computer Science 2024-05-17 Patxi Fernandez-Zelaia , Jason Mayeur , Jiahao Cheng , Yousub Lee , Kevin Knipe , Kai Kadau

Bayesian Optimization has become the reference method for the global optimization of black box, expensive and possibly noisy functions. Bayesian Op-timization learns a probabilistic model about the objective function, usually a Gaussian…

Machine Learning · Statistics 2020-03-10 Antonio Candelieri , Ilaria Giordani , Riccardo Perego , Francesco Archetti

We introduce a novel adaptive Gaussian Process Regression (GPR) methodology for efficient construction of surrogate models for Bayesian inverse problems with expensive forward model evaluations. An adaptive design strategy focuses on…

Numerical Analysis · Mathematics 2024-05-01 Paolo Villani , Jörg Unger , Martin Weiser

Kriging-based surrogate models have become very popular during the last decades to approximate a computer code output from few simulations. In practical applications, it is very common to sequentially add new simulations to obtain more…

Statistics Theory · Mathematics 2012-10-31 Loic Le Gratiet , Claire Cannamela

We consider the estimation of sensitivity indices based on divergence measures such as Hellinger distance. For sensitivity analysis of complex models, these divergence-based indices can be estimated by Monte-Carlo sampling (MCS) in…

Statistics Theory · Mathematics 2019-09-18 A. W. Eggels , D. T. Crommelin

To address the challenges of reliability analysis in high-dimensional probability spaces, this paper proposes a new metamodeling method that couples active subspace, heteroscedastic Gaussian process, and active learning. The active subspace…

Applications · Statistics 2024-04-11 Jungho Kim , Ziqi Wang , Junho Song

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

High-fidelity computational fluid dynamics (CFD) simulations are widely used to analyze nuclear reactor transients, but are computationally expensive when exploring large parameter spaces. Multifidelity surrogate models offer an approach to…

Machine Learning · Computer Science 2026-03-17 Meredith Eaheart , Majdi I. Radaideh

Multidisciplinary design optimization methods aim at adapting numerical optimization techniques to the design of engineering systems involving multiple disciplines. In this context, a large number of mixed continuous, integer and…

We study distributed multiagent optimization over (directed, time-varying) graphs. We consider the minimization of $F+G$ subject to convex constraints, where $F$ is the smooth strongly convex sum of the agent's losses and $G$ is a nonsmooth…

Optimization and Control · Mathematics 2020-10-13 Ying Sun , Amir Daneshmand , Gesualdo Scutari

High-dimensional complex multi-parameter problems are prevalent in engineering, exceeding the capabilities of traditional surrogate models designed for low/medium-dimensional problems. These models face the curse of dimensionality,…

Methodology · Statistics 2023-07-06 Yili Zhang , Hanyan Huang , Mei Xiong , Zengquan Yao

The optimal and robust design of structures has gained much attention in the past ten years due to the ever increasing need for manufacturers to build robust systems at the lowest cost. Reliability-based design optimization (RBDO) allows…

Applications · Statistics 2017-04-12 Vincent Dubourg , Jean-Marc Bourinet , Bruno Sudret

Offline model-based optimization seeks to optimize against a learned surrogate model without querying the true oracle objective function during optimization. Such tasks are commonly encountered in protein design, robotics, and clinical…

Machine Learning · Computer Science 2024-09-27 Michael S. Yao , Yimeng Zeng , Hamsa Bastani , Jacob Gardner , James C. Gee , Osbert Bastani

Surrogate models for computational simulations are input-output approximations that allow computationally intensive analyses, such as uncertainty propagation and inference, to be performed efficiently. When a simulation output does not…

Computational Engineering, Finance, and Science · Computer Science 2014-08-05 Alex A. Gorodetsky , Youssef M. Marzouk

With the increasingly availability of digital microscopy imagery equipments there is a demand for efficient execution of whole slide tissue image applications. Through the process of sensitivity analysis it is possible to improve the output…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-29 Willian de Oliveira Barreiros Junior , George Teodoro

Derivative-Free Optimization (DFO) involves methods that rely solely on evaluations of the objective function. One of the earliest strategies for designing DFO methods is to adapt first-order methods by replacing gradients with…

Optimization and Control · Mathematics 2025-02-12 Timothé Taminiau , Estelle Massart , Geovani Nunes Grapiglia