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Experiments in engineering are typically conducted in controlled environments where parameters can be set to any desired value. This assumes that the same applies in a real-world setting -- an assumption that is often incorrect as many…

机器学习 · 计算机科学 2025-11-18 Mike Diessner , Kevin J. Wilson , Richard D. Whalley

Alternative formulations for the optimization of chemical process flowsheets are presented that leverage surrogate models and implicit functions to replace and remove, respectively, the algebraic equations that describe a…

最优化与控制 · 数学 2024-04-23 Sergio I. Bugosen , Carl D. Laird , Robert B. Parker

Surrogate-assisted Evolutionary Algorithms~(SAEAs) have shown promising robustness in solving expensive optimization problems. A key aspect that impacts SAEAs' effectiveness is surrogate model selection, which in existing works is…

神经与进化计算 · 计算机科学 2026-02-03 Yuxin Wu , Hongshu Guo , Ting Huang , Yue-Jiao Gong , Zeyuan Ma

This paper studies the problem of globally optimizing a variable of interest that is part of a causal model in which a sequence of interventions can be performed. This problem arises in biology, operational research, communications and,…

机器学习 · 统计学 2020-05-27 Virginia Aglietti , Xiaoyu Lu , Andrei Paleyes , Javier González

Bayesian optimisation (BO) is a surrogate-based optimisation technique that efficiently solves expensive black-box functions with small evaluation budgets. Recent studies consider trust regions to improve the scalability of BO approaches…

神经与进化计算 · 计算机科学 2025-11-04 Kokila Kasuni Perera , Frank Neumann , Aneta Neumann

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

机器学习 · 计算机科学 2024-01-30 Joel A. Paulson , Calvin Tsay

Approximate Bayesian inference based on Laplace approximation and quadrature methods have become increasingly popular for their efficiency at fitting latent Gaussian models (LGM), which encompass popular models such as Bayesian generalized…

统计方法学 · 统计学 2024-03-20 Dayi Li , Ziang Zhang

In many high-throughput experimental design settings, such as those common in biochemical engineering, batched queries are more cost effective than one-by-one sequential queries. Furthermore, it is often not possible to directly choose…

机器学习 · 计算机科学 2019-04-18 Kevin K. Yang , Yuxin Chen , Alycia Lee , Yisong Yue

Optimization algorithms are very different from human optimizers. A human being would gain more experiences through problem-solving, which helps her/him in solving a new unseen problem. Yet an optimization algorithm never gains any…

神经与进化计算 · 计算机科学 2024-10-28 Xunzhao Yu , Yan Wang , Ling Zhu , Dimitar Filev , Xin Yao

Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…

The optimization of expensive black-box functions is ubiquitous in science and engineering. A common solution to this problem is Bayesian optimization (BO), which is generally comprised of two components: (i) a surrogate model and (ii) an…

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose…

Recently, a surrogate model was proposed that employs a factorization machine to approximate the underlying input-output mapping of the original system, with quantum annealing used to optimize the resulting surrogate function. Inspired by…

机器学习 · 计算机科学 2026-01-21 Anbang Wang , Dunbo Cai , Yu Zhang , Yangqing Huang , Xiangyang Feng , Zhihong Zhang

Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem…

机器学习 · 计算机科学 2025-01-24 Zhendong Guo , Yew-Soon Ong , Tiantian He , Haitao Liu

Radiation Therapy (RT) plays a pivotal role in the treatment of cancer, offering the potential to effectively target and eliminate tumour cells while minimizing harm to surrounding healthy tissues. However, the success of RT heavily depends…

医学物理 · 物理学 2024-02-16 Keshav Kumar K. , NVSL Narasimham , A. Ramakrishna Prasad

Gradient-based optimization of engineering designs is limited by non-differentiable components in the typical computer-aided engineering (CAE) workflow, which calculates performance metrics from design parameters. While gradient-based…

计算工程、金融与科学 · 计算机科学 2025-11-17 Andrin Rehmann , Nolan Black , Josiah Bjorgaard , Alessandro Angioi , Andrei Paleyes , Niklas Heim , Dion Häfner , Alexander Lavin

Recent advances in combustion science have led to the generation of large volumes of data from high-fidelity simulations, detailed chemical-kinetic calculations and engine-relevant measurements and create new opportunities for data-driven…

化学物理 · 物理学 2026-04-29 Amirali Shateri , Zhiyin Yang , Yuying Yan , Manosh C. Paul , Jianfei Xie

Empirical software engineering is concerned with the design and analysis of empirical studies that include software products, processes, and resources. Optimization is a form of data analytics in support of human decision-making.…

软件工程 · 计算机科学 2019-12-05 Guenther Ruhe

The aim of the present paper is to develop a strategy for solving reliability-based design optimization (RBDO) problems that remains applicable when the performance models are expensive to evaluate. Starting with the premise that…

统计方法学 · 统计学 2011-04-20 V. Dubourg , B. Sudret , J. -M. Bourinet

Black-box and preference-based optimization algorithms are global optimization procedures that aim to find the global solutions of an optimization problem using, respectively, the least amount of function evaluations or sample comparisons…

最优化与控制 · 数学 2022-02-04 Davide Previtali , Mirko Mazzoleni , Antonio Ferramosca , Fabio Previdi