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Bayesian optimization (BO) developed as an approach for the efficient optimization of expensive black-box functions without gradient information. A typical BO paper introduces a new approach and compares it to some alternatives on simulated…

统计计算 · 统计学 2023-10-17 Jiajie Kong , Tony Pourmohamad , Herbert K. H. Lee

The compounding of plastics with recycled material remains a practical challenge, as the properties of the processed material is not as easy to control as with completely new raw materials. For a data scientist, it makes sense to plan the…

人机交互 · 计算机科学 2025-11-21 Dorina Weichert , Gunar Ernis , Marvin Worthmann , Peter Ryzko , Lukas Seifert

Learning Bayesian networks is often cast as an optimization problem, where the computational task is to find a structure that maximizes a statistically motivated score. By and large, existing learning tools address this optimization problem…

机器学习 · 计算机科学 2013-01-30 Nir Friedman , Iftach Nachman , Dana Pe'er

BayesicFitting is a comprehensive, general-purpose toolbox for simple and standardized model fitting. Its fitting options range from simple least-squares methods, via maximum likelihood to fully Bayesian inference, working on a multitude of…

天体物理仪器与方法 · 物理学 2021-09-27 Do Kester , Michael Mueller

Bayesian optimization methods allocate limited sampling budgets to maximize expensive-to-evaluate functions. One-step-lookahead policies are often used, but computing optimal multi-step-lookahead policies remains a challenge. We consider a…

最优化与控制 · 数学 2016-07-13 J. Massey Cashore , Lemuel Kumarga , Peter I. Frazier

Bayesian coresets have emerged as a promising approach for implementing scalable Bayesian inference. The Bayesian coreset problem involves selecting a (weighted) subset of the data samples, such that the posterior inference using the…

机器学习 · 统计学 2021-03-01 Jacky Y. Zhang , Rajiv Khanna , Anastasios Kyrillidis , Oluwasanmi Koyejo

Before autonomous systems can be deployed in safety-critical applications, we must be able to understand and verify the safety of these systems. For cases where the risk or cost of real-world testing is prohibitive, we propose a…

机器人学 · 计算机科学 2023-09-18 Charles Dawson , Chuchu Fan

Feature or variable selection is a problem inherent to large data sets. While many methods have been proposed to deal with this problem, some can scale poorly with the number of predictors in a data set. Screening methods scale linearly…

统计方法学 · 统计学 2023-01-09 Naveed Merchant , Jeffrey D. Hart

The present paper proposes a novel Bayesian, computational strategy in the context of model-based inverse problems in elastostatics. On one hand we attempt to provide probabilistic estimates of the material properties and their spatial…

统计计算 · 统计学 2015-12-21 P. S. Koutsourelakis

Bayesian experimental design involves the optimal allocation of resources in an experiment, with the aim of optimising cost and performance. For implicit models, where the likelihood is intractable but sampling from the model is possible,…

机器学习 · 统计学 2019-02-26 Steven Kleinegesse , Michael Gutmann

In typical applications of Bayesian optimization, minimal assumptions are made about the objective function being optimized. This is true even when researchers have prior information about the shape of the function with respect to one or…

机器学习 · 统计学 2016-12-30 Michael Jauch , Víctor Peña

Synthetic microbiomes offer new possibilities for modulating microbiota, to address the barriers in multidtug resistance (MDR) research. We present a Bayesian optimization approach to enable efficient searching over the space of synthetic…

定量方法 · 定量生物学 2024-05-02 Nisha Pillai , Bindu Nanduri , Michael J Rothrock , Zhiqian Chen , Mahalingam Ramkumar

We present a novel approach to help decision-makers efficiently identify preferred solutions from the Pareto set of a multi-objective optimization problem. Our method uses a Bayesian model to estimate the decision-maker's utility function…

机器学习 · 统计学 2025-11-13 Felix Huber , Sebastian Rojas Gonzalez , Raul Astudillo

Controller tuning and parameter optimization are crucial in system design to improve closed-loop system performance. Bayesian optimization has been established as an efficient model-free controller tuning and adaptation method. However,…

系统与控制 · 电气工程与系统科学 2024-04-24 Christopher König , Raamadaas Krishnadas , Efe C. Balta , Alisa Rupenyan

Bayesian Optimization (BO) machine learning method is increasingly used to guide experimental optimization tasks in materials science. To emulate the large number of input variables and noise-containing results in experimental materials…

We investigate modifications to Bayesian Optimization for a resource-constrained setting of sequential experimental design where changes to certain design variables of the search space incur a switching cost. This models the scenario where…

机器学习 · 计算机科学 2024-05-16 Stefan Pricopie , Richard Allmendinger , Manuel Lopez-Ibanez , Clyde Fare , Matt Benatan , Joshua Knowles

Bayesian optimization (BO) is a popular method to optimize costly black-box functions. While traditional BO optimizes each new target task from scratch, meta-learning has emerged as a way to leverage knowledge from related tasks to optimize…

机器学习 · 计算机科学 2024-07-01 Jiarong Pan , Stefan Falkner , Felix Berkenkamp , Joaquin Vanschoren

History-dependent constitutive models serve as macroscopic closures for the aggregated effects of micromechanics. Their parameters are typically learned from experimental data. With a limited experimental budget, eliciting the full range of…

材料科学 · 物理学 2026-04-28 Kaushik Bhattacharya , Lianghao Cao , Andrew Stuart

From a pool of admissible designs, we aim to identify a structure that achieves a target macroscopic stress response. For each candidate, the response is obtained from a high-fidelity oracle, such as expensive computational homogenization…

计算工程、金融与科学 · 计算机科学 2026-05-12 Hooman Danesh , Henning Wessels

Design optimisation offers the potential to develop lightweight aircraft structures with reduced environmental impact. Due to the high number of design variables and constraints, these challenges are typically addressed using gradient-based…

计算工程、金融与科学 · 计算机科学 2025-08-04 Hauke F. Maathuis , Roeland De Breuker , Saullo G. P. Castro