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Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…

计算物理 · 物理学 2021-08-31 Maxim Ziatdinov , Ayana Ghosh , Sergei V. Kalinin

High-throughput experimentation enables efficient search space exploration for the discovery and optimization of new materials. However, large search spaces of, e.g., compositionally complex materials, require decreasing characterization…

材料科学 · 物理学 2023-07-03 Felix Thelen , Lars Banko , Rico Zehl , Sabrina Baha , Alfred Ludwig

Bayesian Optimization (BO) for the minimization of expensive functions of continuous variables uses all the knowledge acquired from previous samples (${\boldsymbol x}_i$ and $f({\boldsymbol x}_i)$ values) to build a surrogate model based on…

数值分析 · 数学 2025-05-15 Roberto Battiti , Mauro Brunato

This work introduces an automated testing approach that employs agents controlling game characters to detect potential bugs within a game level. Harnessing the power of Bayesian Optimization (BO) to execute sample-efficient search, the…

人工智能 · 计算机科学 2025-08-19 Carlos Celemin

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

Bayesian optimisation presents a sample-efficient methodology for global optimisation. Within this framework, a crucial performance-determining subroutine is the maximisation of the acquisition function, a task complicated by the fact that…

An active learning (AL) algorithm seeks to construct an effective classifier with a minimal number of labeled examples in a bootstrapping manner. While standard AL heuristics, such as selecting those points for annotation for which a…

计算机视觉与模式识别 · 计算机科学 2020-09-03 Ishani Mondal , Debasis Ganguly

We hypothesize that curiosity is a mechanism found by evolution that encourages meaningful exploration early in an agent's life in order to expose it to experiences that enable it to obtain high rewards over the course of its lifetime. We…

机器学习 · 计算机科学 2020-03-12 Ferran Alet , Martin F. Schneider , Tomas Lozano-Perez , Leslie Pack Kaelbling

High-intensity laser systems present unique measurement and optimization challenges due to their high complexity, low repetition rates, and shot-to-shot variations. We discuss recent developments towards a unified framework based on…

光学 · 物理学 2025-06-06 A. Döpp , C. Eberle , J. Esslinger , S. Howard , F. Irshad , J. Schroeder , N. Weisse , S. Karsch

Real-world robots are becoming increasingly complex and commonly act in poorly understood environments where it is extremely challenging to model or learn their true dynamics. Therefore, it might be desirable to take a task-specific…

系统与控制 · 计算机科学 2017-09-25 Somil Bansal , Roberto Calandra , Ted Xiao , Sergey Levine , Claire J. Tomlin

Bayesian Optimization (BO) is a popular approach to optimizing expensive-to-evaluate black-box functions. Despite the success of BO, its performance may decrease exponentially as the dimensionality increases. A common framework to tackle…

机器学习 · 计算机科学 2024-12-24 Quoc-Anh Hoang Nguyen , The Hung Tran

Closed-loop performance of sequential decision making algorithms, such as model predictive control, depends strongly on the choice of controller parameters. Bayesian optimization allows learning of parameters from closed-loop experiments,…

系统与控制 · 电气工程与系统科学 2025-11-18 Sebastian Hirt , Lukas Theiner , Rolf Findeisen

Bayesian optimization (BO) is an efficient method to optimize expensive black-box functions. It has been generalized to scenarios where objective function evaluations return stochastic binary feedback, such as success/failure in a given…

机器学习 · 统计学 2021-11-08 Tristan Fauvel , Matthew Chalk

Machine learning methods are progressively gaining acceptance in the electron microscopy community for de-noising, semantic segmentation, and dimensionality reduction of data post-acquisition. The introduction of the APIs by major…

Sparse Gaussian Processes are a key component of high-throughput Bayesian optimisation (BO) loops -- an increasingly common setting where evaluation budgets are large and highly parallelised. By using representative subsets of the available…

机器学习 · 计算机科学 2022-07-14 Henry B. Moss , Sebastian W. Ober , Victor Picheny

Human-in-the-loop optimization utilizes human expertise to guide machine optimizers iteratively and search for an optimal solution in a solution space. While prior empirical studies mainly investigated novices, we analyzed the impact of the…

人机交互 · 计算机科学 2023-02-14 Changkun Ou , Sven Mayer , Andreas Butz

In order to develop provably safe human-in-the-loop systems, accurate and precise models of human behavior must be developed. In the case of intelligent vehicles, one can imagine the need for predicting driver behavior to develop minimally…

系统与控制 · 计算机科学 2017-05-03 Katherine Driggs-Campbell , Roy Dong , S. Shankar Sastry , Ruzena Bajcsy

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders…

机器学习 · 计算机科学 2023-11-21 Seunghun Lee , Jaewon Chu , Sihyeon Kim , Juyeon Ko , Hyunwoo J. Kim

Bayesian optimization (BO) is a powerful paradigm for optimizing expensive black-box functions. Traditional BO methods typically rely on separate hand-crafted acquisition functions and surrogate models for the underlying function, and often…

机器学习 · 计算机科学 2025-07-10 Fengxue Zhang , Yuxin Chen

Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

机器学习 · 计算机科学 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin