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The need to rapidly solve PDEs in engineering design workflows has spurred the rise of neural surrogate models. In particular, neural operator models provide a discretization-invariant surrogate by retaining the infinite-dimensional,…

Machine Learning · Computer Science 2026-02-12 Yash Patel , Ambuj Tewari

This work presents a robust design optimization approach for a char combustion process in a limited-data setting, where simulations of the fluid-solid coupled system are computationally expensive. We integrate a polynomial dimensional…

Optimization and Control · Mathematics 2025-03-11 Yulin Guo , Dongjin Lee , Boris Kramer

This paper considers global optimization with a black-box unknown objective function that can be non-convex and non-differentiable. Such a difficult optimization problem arises in many real-world applications, such as parameter tuning in…

Optimization and Control · Mathematics 2016-07-19 Kenji Kawaguchi , Yu Maruyama , Xiaoyu Zheng

Optimizing the reliability and the robustness of a design is important but often unaffordable due to high sample requirements. Surrogate models based on statistical and machine learning methods are used to increase the sample efficiency.…

Machine Learning · Statistics 2022-05-06 Can Bogoclu , Dirk Roos , Tamara Nestorović

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

To solve key biomedical problems, experimentalists now routinely measure millions or billions of features (dimensions) per sample, with the hope that data science techniques will be able to build accurate data-driven inferences. Because…

We consider the problem of optimizing expensive black-box functions over high-dimensional combinatorial spaces which arises in many science, engineering, and ML applications. We use Bayesian Optimization (BO) and propose a novel surrogate…

Machine Learning · Computer Science 2023-03-06 Aryan Deshwal , Sebastian Ament , Maximilian Balandat , Eytan Bakshy , Janardhan Rao Doppa , David Eriksson

In this paper, we focus on developing efficient sensitivity analysis methods for a computationally expensive objective function $f(x)$ in the case that the minimization of it has just been performed. Here "computationally expensive" means…

Machine Learning · Statistics 2015-02-24 Yilun Wang , Christine A. Shoemaker

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

This work presents a non-intrusive reduced-order modeling framework for dynamical systems with spatially localized features characterized by slow singular value decay. The proposed approach builds upon two existing methodologies for reduced…

Dynamical Systems · Mathematics 2025-06-16 Leonidas Gkimisis , Nicole Aretz , Marco Tezzele , Thomas Richter , Peter Benner , Karen E. Willcox

This paper introduces SOLID (Synergizing Optimization and Large Language Models for Intelligent Decision-Making), a novel framework that integrates mathematical optimization with the contextual capabilities of large language models (LLMs).…

Artificial Intelligence · Computer Science 2025-11-20 Yinsheng Wang , Tario G You , Léonard Boussioux , Shan Liu

An adaptation of Response Surface Methodology (RSM) when the covariate is of high or infinite dimensional is proposed, providing a tool for black-box optimization in this context. We combine dimension reduction techniques with classical…

Statistics Theory · Mathematics 2015-11-19 Angelina Roche

Design optimization under uncertainty is notoriously difficult when the objective function is expensive to evaluate. State-of-the-art techniques, e.g, stochastic optimization or sampling average approximation, fail to learn exploitable…

Optimization and Control · Mathematics 2019-06-20 Piyush Pandita , Ilias Bilionis , Jitesh Panchal

We propose an algorithm for an optimal adaptive selection of points from the design domain of input random variables that are needed for an accurate estimation of failure probability and the determination of the boundary between safe and…

Computational Engineering, Finance, and Science · Computer Science 2023-06-30 Aleksei Gerasimov , Miroslav Vořechovský

Due to the curse of dimensionality, it is often prohibitively expensive to generate deterministic space-filling designs. On the other hand, when using na{\"i}ve uniform random sampling to generate designs cheaply, design points tend to…

Methodology · Statistics 2023-12-21 Manisha Garg , Tyler Chang , Krishnan Raghavan

Sequential model-based optimization (SMBO) approaches are algorithms for solving problems that require computationally or otherwise expensive function evaluations. The key design principle of SMBO is a substitution of the true objective…

Neural and Evolutionary Computing · Computer Science 2020-04-01 Jakob Bossek , Carola Doerr , Pascal Kerschke

In this paper, we study optimization methods consisting of iteratively minimizing surrogates of an objective function. By proposing several algorithmic variants and simple convergence analyses, we make two main contributions. First, we…

Machine Learning · Statistics 2013-05-15 Julien Mairal

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

Reduced-order models (ROMs) are often used to accelerate the simulation of large physical systems. However, traditional ROM techniques, such as those based on proper orthogonal decomposition (POD), often struggle with advection-dominated…

Numerical Analysis · Mathematics 2025-11-07 Toby van Gastelen , Wouter Edeling , Benjamin Sanderse

In this experience report, we apply deep active learning to the field of design optimization to reduce the number of computationally expensive numerical simulations. We are interested in optimizing the design of structural components, where…

Machine Learning · Computer Science 2024-03-21 Jens Decke , Christian Gruhl , Lukas Rauch , Bernhard Sick