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Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian…

机器学习 · 计算机科学 2024-02-28 Arun Kumar A , Alistair Shilton , Sunil Gupta , Santu Rana , Stewart Greenhill , Svetha Venkatesh

Autonomous experimentation (AE) combines machine learning and research hardware automation in a closed loop, guiding subsequent experiments toward user goals. As applied to materials research, AE can accelerate materials exploration,…

材料科学 · 物理学 2023-06-21 Felix Adams , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

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 have developed a Bayesian optimization (BO) workflow that integrates intra-step noise optimization into automated experimental cycles. Traditional BO approaches in automated experiments focus on optimizing experimental trajectories but…

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…

Human-in-the-loop Bayesian optimization (HITL BO) methods utilize human expertise to improve the sample-efficiency of BO. Most HITL BO methods assume that a domain expert can quantify their knowledge, for instance by pinpointing query…

机器学习 · 计算机科学 2026-05-13 Alvar Haltia , Ville Hyvönen , Samuel Kaski

Domain experts often possess valuable physical insights that are overlooked in fully automated decision-making processes such as Bayesian optimisation. In this article we apply high-throughput (batch) Bayesian optimisation alongside…

机器学习 · 计算机科学 2023-12-06 Tom Savage , Ehecatl Antonio del Rio Chanona

Optimization for different tasks like material characterization, synthesis, and functional properties for desired applications over multi-dimensional control parameters need a rapid strategic search through active learning such as Bayesian…

机器学习 · 计算机科学 2026-03-16 Arpan Biswas , Hiroshi Funakubo , Yongtao Liu

Designers reportedly struggle with design optimization tasks where they are asked to find a combination of design parameters that maximizes a given set of objectives. In HCI, design optimization problems are often exceedingly complex,…

Parameter tuning for robotic systems is a time-consuming and challenging task that often relies on domain expertise of the human operator. Moreover, existing learning methods are not well suited for parameter tuning for many reasons…

机器人学 · 计算机科学 2022-08-10 Maegan Tucker , Kejun Li , Yisong Yue , Aaron D. Ames

Tuning active prostheses for people with amputation is time-consuming and relies on metrics that may not fully reflect user needs. We introduce a human-in-the-loop optimization (HILO) approach that leverages direct user preferences to…

Most research in Bayesian optimization (BO) has focused on \emph{direct feedback} scenarios, where one has access to exact values of some expensive-to-evaluate objective. This direction has been mainly driven by the use of BO in machine…

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often non-differentiable parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition…

机器学习 · 计算机科学 2024-02-22 Arpan Biswas , Sai Mani Prudhvi Valleti , Rama Vasudevan , Maxim Ziatdinov , Sergei V. Kalinin

While many advanced statistical methods for the design of experiments exist, it is still typical for physical experiments to be performed adaptively based on human intuition. As a consequence, experimental resources are wasted on…

统计方法学 · 统计学 2025-03-04 Anton van Beek

Bayesian optimization has been successfully applied throughout Chemical Engineering for the optimization of functions that are expensive-to-evaluate, or where gradients are not easily obtainable. However, domain experts often possess…

人机交互 · 计算机科学 2024-04-18 Tom Savage , Ehecatl Antonio del Rio Chanona

Optimization with preference feedback is an active research area with many applications in engineering systems where humans play a central role, such as building control and autonomous vehicles. While most existing studies focus on…

最优化与控制 · 数学 2026-03-31 Wenbin Wang , Wenjie Xu , Colin N. Jones

Bayesian optimization (BO) is an approach to globally optimizing black-box objective functions that are expensive to evaluate. BO-powered experimental design has found wide application in materials science, chemistry, experimental physics,…

机器学习 · 计算机科学 2023-10-10 Mimi Zhang , Andrew Parnell , Dermot Brabazon , Alessio Benavoli

Many engineering and scientific workflows rely on expensive black-box evaluations, requiring sequential decisions that must both improve task performance and reduce uncertainty. Bayesian optimization (BO) and Bayesian experimental design…

机器学习 · 计算机科学 2026-05-14 Yingke Li , Anjali Parashar , Enlu Zhou , Chuchu Fan

Like many optimizers, Bayesian optimization often falls short of gaining user trust due to opacity. While attempts have been made to develop human-centric optimizers, they typically assume user knowledge is well-specified and error-free,…

Solving optimal design problems through crowdsourcing faces a dilemma: On one hand, human beings have been shown to be more effective than algorithms at searching for good solutions of certain real-world problems with high-dimensional or…

机器学习 · 计算机科学 2017-04-28 Thurston Sexton , Max Yi Ren
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