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Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and…

机器学习 · 计算机科学 2026-05-07 Jesse Schneider , William J. Welch

Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design of experiment. When combined with automated laboratory…

最优化与控制 · 数学 2022-10-18 Riley J. Hickman , Matteo Aldeghi , Florian Häse , Alán Aspuru-Guzik

Bayesian optimization is a popular tool for data-efficient optimization of expensive objective functions. In real-life applications like engineering design, the designer often wants to take multiple objectives as well as input uncertainty…

人工智能 · 计算机科学 2022-02-28 J. Qing , I. Couckuyt , T. Dhaene

To optimize efficiently over discrete data and with only few available target observations is a challenge in Bayesian optimization. We propose a continuous relaxation of the objective function and show that inference and optimization can be…

For effective human-agent teaming, robots and other artificial intelligence (AI) agents must infer their human partner's abilities and behavioral response patterns and adapt accordingly. Most prior works make the unrealistic assumption that…

机器人学 · 计算机科学 2024-03-26 Manisha Natarajan , Chunyue Xue , Sanne van Waveren , Karen Feigh , Matthew Gombolay

We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

机器学习 · 统计学 2017-11-22 Peter I. Frazier , Jialei Wang

Bayesian optimization is an effective method to efficiently optimize unknown objective functions with high evaluation costs. Traditional Bayesian optimization algorithms select one point per iteration for single objective function, whereas…

机器学习 · 统计学 2019-05-08 Takashi Wada , Hideitsu Hino

Optimization is becoming increasingly common in scientific and engineering domains. Oftentimes, these problems involve various levels of stochasticity or uncertainty in generating proposed solutions. Therefore, optimization in these…

机器学习 · 统计学 2020-06-05 Peter D. Tonner , Daniel V. Samarov , A. Gilad Kusne

Causal discovery is crucial for understanding complex systems and informing decisions. While observational data can uncover causal relationships under certain assumptions, it often falls short, making active interventions necessary. Current…

机器学习 · 计算机科学 2024-06-18 Yuxuan Wang , Mingzhou Liu , Xinwei Sun , Wei Wang , Yizhou Wang

Bayesian optimization offers a flexible framework to optimize an objective function that is expensive to be evaluated. A Bayesian optimizer iteratively queries the function values on its carefully selected points. Subsequently, it makes a…

机器学习 · 计算机科学 2019-06-25 Yang Li , Yaqiang Yao

Bayesian optimization is a powerful tool for expensive stochastic black-box optimization problems such as simulation-based optimization or machine learning hyperparameter tuning. Many stochastic objective functions implicitly require a…

机器学习 · 统计学 2019-10-22 Michael Pearce , Matthias Poloczek , Juergen Branke

Bayesian optimization has emerged as a strong candidate tool for global optimization of functions with expensive evaluation costs. However, due to the dynamic nature of research in Bayesian approaches, and the evolution of computing…

应用统计 · 统计学 2018-08-24 Ran Rubin

Much of machine learning research focuses on predictive accuracy: given a task, create a machine learning model (or algorithm) that maximizes accuracy. In many settings, however, the final prediction or decision of a system is under the…

计算机与社会 · 计算机科学 2022-06-02 Kate Donahue , Alexandra Chouldechova , Krishnaram Kenthapadi

The design of an experiment can be always be considered at least implicitly Bayesian, with prior knowledge used informally to aid decisions such as the variables to be studied and the choice of a plausible relationship between the…

统计方法学 · 统计学 2017-01-03 David C. Woods , Antony M. Overstall , Maria Adamou , Timothy W. Waite

Scaling Bayesian optimization to high dimensions is challenging task as the global optimization of high-dimensional acquisition function can be expensive and often infeasible. Existing methods depend either on limited active variables or…

机器学习 · 统计学 2018-02-16 Cheng Li , Sunil Gupta , Santu Rana , Vu Nguyen , Svetha Venkatesh , Alistair Shilton

Bayesian optimization (BO) is an integral part of automated scientific discovery -- the so-called self-driving lab -- where human inputs are ideally minimal or at least non-blocking. However, scientists often have strong intuition, and thus…

Optimal input settings vary across users due to differences in motor abilities and personal preferences, which are typically addressed by manual tuning or calibration. Although human-in-the-loop optimization has the potential to identify…

人机交互 · 计算机科学 2025-03-10 Yi-Chi Liao , Paul Streli , Zhipeng Li , Christoph Gebhardt , Christian Holz

We propose an algorithm for Bayesian functional optimisation - that is, finding the function to optimise a process - guided by experimenter beliefs and intuitions regarding the expected characteristics (length-scale, smoothness, cyclicity…

机器学习 · 计算机科学 2020-09-09 Alistair Shilton , Sunil Gupta , Santu Rana , Svetha Venkatesh

Bayesian optimization has emerged as a highly effective tool for the safe online optimization of systems, due to its high sample efficiency and noise robustness. To further enhance its efficiency, reduced physical models of the system can…

机器学习 · 计算机科学 2024-06-18 Jannis O. Lübsen , Christian Hespe , Annika Eichler

Bayesian optimization is used in many areas of AI for the optimization of black-box processes and has achieved impressive improvements of the state of the art for a lot of applications. It intelligently explores large and complex design…

材料科学 · 物理学 2021-08-03 Lars Kotthoff , Hud Wahab , Patrick Johnson