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Autonomous experimentation has emerged as an efficient approach to accelerate the pace of materials discovery. Although instruments for autonomous synthesis have become popular in molecular and polymer science, solution processing of hybrid…

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 provides an effective method to optimize expensive-to-evaluate black box functions. It has been widely applied to problems in many fields, including notably in computer science, e.g. in machine learning to optimize…

机器学习 · 计算机科学 2025-11-18 Mike Diessner , Joseph O'Connor , Andrew Wynn , Sylvain Laizet , Yu Guan , Kevin Wilson , Richard D. Whalley

Combinatorial sputtering is a physical vapor deposition method that enables the high-throughput synthesis of compositionally varied thin films. Using this technique, the effects of stoichiometry on specific properties of alloy thin films…

材料科学 · 物理学 2026-02-20 Shelby Sutton Fields , Christopher David White , Keith Knipling , Steven Bennett

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

The kinematics of a gliding flat-plate with spanwise oscillation has been optimized to enhance the power efficiency by using Bayesian optimization method, in which the portfolio allocation framework consists of a Gaussian process…

流体动力学 · 物理学 2021-09-10 Chunyu Wang , Zhaoyue Xu , Xinlei Zhang , Shizhao Wang

In the pursuit of designing safer and more efficient energy-absorbing structures, engineers must tackle the challenge of improving crush performance while balancing multiple conflicting objectives, such as maximising energy absorption and…

材料科学 · 物理学 2025-02-25 Hirak Kansara , Siamak F. Khosroshahi , Leo Guo , Miguel A. Bessa , Wei Tan

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

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in…

A Bayesian optimization framework is used to investigate scenarios for disruptions mitigated with combined deuterium and neon injection in ITER. The optimization cost function takes into account limits on the maximum runaway current, the…

Bayesian optimisation is an adaptive sampling strategy for constructing a Gaussian process surrogate to efficiently search for the global minimum of a black-box computational model. Gaussian processes have limited applicability in…

应用统计 · 统计学 2025-12-04 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

A magnetron sputtering method for the production of thin-film libraries with a spatially varying composition, x, in Bi2Sr2Ca1-xYxCu2Oy (0<=x<=0.5) has been developed. Two targets with a composition of Bi2Sr2YCu2O_{8.5 + \delta} and…

超导电性 · 物理学 2009-11-11 R. J. Sanderson , K. C. Hewitt

Adhesive joints are increasingly used in industry for a wide variety of applications because of their favorable characteristics such as high strength-to-weight ratio, design flexibility, limited stress concentrations, planar force transfer,…

Recent work has shown constrained Bayesian optimization to be a powerful technique for the optimization of industrial processes. In complex manufacturing processes, the possibility to run extensive sequences of experiments with the goal of…

系统与控制 · 电气工程与系统科学 2022-05-12 Xavier Guidetti , Alisa Rupenyan , Lutz Fassl , Majid Nabavi , John Lygeros

Quality control in industrial processes is increasingly making use of prior scientific knowledge, often encoded in physical models that require numerical approximation. Statistical prediction, and subsequent optimization, is key to ensuring…

其他统计学 · 统计学 2018-10-23 Antony Overstall , David Woods , Kieran Martin

High-performance semiconductor optoelectronics such as perovskites have high-dimensional and vast composition spaces that govern the performance properties of the material. To cost-effectively search these composition spaces, we utilize a…

计算机视觉与模式识别 · 计算机科学 2021-05-07 Alexander E. Siemenn , Matthew Beveridge , Tonio Buonassisi , Iddo Drori

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

Bayesian optimization works effectively optimizing parameters in black-box problems. However, this method did not work for high-dimensional parameters in limited trials. Parameters can be efficiently explored by nonlinearly embedding them…

机器学习 · 计算机科学 2022-06-14 Shoki Miyagawa , Atsuyoshi Yano , Naoko Sawada , Isamu Ogawa

Biofilm growth and transport in confined systems frequently occur in natural and engineered systems. Designing customizable engineered porous materials for controllable biofilm transportation properties could significantly improve the rapid…

生物物理 · 物理学 2023-10-10 Hanfeng Zhai , Jingjie Yeo

We present an optimizer which uses Bayesian optimization to tune the system parameters of distributed stochastic gradient descent (SGD). Given a specific context, our goal is to quickly find efficient configurations which appropriately…

机器学习 · 统计学 2016-12-04 Valentin Dalibard , Michael Schaarschmidt , Eiko Yoneki
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