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Active learning provides a framework to adaptively query the most informative experiments towards learning an unknown black-box function. Various approaches of active learning have been proposed in the literature, however, they either focus…

Machine Learning · Computer Science 2023-10-03 Upala Junaida Islam , Kamran Paynabar , George Runger , Ashif Sikandar Iquebal

Several scenarios require the optimization of non-convex black-box functions, that are noisy expensive to evaluate functions with unknown analytical expression, whose gradients are hence not accessible. For example, the hyper-parameter…

Machine Learning · Computer Science 2025-02-12 Eduardo C. Garrido-Merchán

One of the most critical problems in machine learning is HyperParameter Optimization (HPO), since choice of hyperparameters has a significant impact on final model performance. Although there are many HPO algorithms, they either have no…

Machine Learning · Computer Science 2023-06-09 Yasong Feng , Weijian Luo , Yimin Huang , Tianyu Wang

Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, it is hard or impossible to know in advance which designs are…

We consider optimization of composite objective functions, i.e., of the form $f(x)=g(h(x))$, where $h$ is a black-box derivative-free expensive-to-evaluate function with vector-valued outputs, and $g$ is a cheap-to-evaluate real-valued…

Machine Learning · Statistics 2019-06-05 Raul Astudillo , Peter I. Frazier

This paper addresses the problem of stochastic optimization with decision-dependent uncertainty, a class of problems where the probability distribution of the uncertain parameters is influenced by the decision-maker's actions. While recent…

Optimization and Control · Mathematics 2025-09-12 John Cotrina , Gonzalo Flores , David Salas , Anton Svensson

We consider Bayesian optimization of an expensive-to-evaluate black-box objective function, where we also have access to cheaper approximations of the objective. In general, such approximations arise in applications such as reinforcement…

Machine Learning · Statistics 2016-11-16 Matthias Poloczek , Jialei Wang , Peter I. Frazier

Stochastic Lipschitz bandit algorithms balance exploration and exploitation, and have been used for a variety of important task domains. In this paper, we present a framework for Lipschitz bandit methods that adaptively learns partitions of…

Machine Learning · Statistics 2021-01-25 Tianyu Wang , Weicheng Ye , Dawei Geng , Cynthia Rudin

Randomized smoothing is a widely adopted technique for optimizing nonsmooth objective functions. However, its efficiency analysis typically relies on global Lipschitz continuity, a condition rarely met in practical applications. To address…

Optimization and Control · Mathematics 2025-09-10 Jingfan Xia , Zhenwei Lin , Qi Deng

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

Machine Learning · Computer Science 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Exploration in unknown environments is a fundamental problem in reinforcement learning and control. In this work, we study task-guided exploration and determine what precisely an agent must learn about their environment in order to complete…

Machine Learning · Computer Science 2021-07-13 Andrew Wagenmaker , Max Simchowitz , Kevin Jamieson

Finding the optimal design of experiments in the Bayesian setting typically requires estimation and optimization of the expected information gain functional. This functional consists of one outer and one inner integral, separated by the…

Numerical Analysis · Mathematics 2024-11-26 Arved Bartuska , Luis Espath , Raúl Tempone

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…

Machine Learning · Computer Science 2020-09-09 Alistair Shilton , Sunil Gupta , Santu Rana , Svetha Venkatesh

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Optimization and Control · Mathematics 2013-10-03 Victor Picheny

Unknown constraints arise in many types of expensive black-box optimization problems. Several methods have been proposed recently for performing Bayesian optimization with constraints, based on the expected improvement (EI) heuristic.…

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…

Machine Learning · Computer Science 2024-02-28 Arun Kumar A , Alistair Shilton , Sunil Gupta , Santu Rana , Stewart Greenhill , Svetha Venkatesh

Parent selection algorithms (selection schemes) steer populations through a problem's search space, often trading off between exploitation and exploration. Understanding how selection schemes affect exploitation and exploration within a…

Neural and Evolutionary Computing · Computer Science 2021-07-28 Jose Guadalupe Hernandez , Alexander Lalejini , Charles Ofria

We consider parallel global optimization of derivative-free expensive-to-evaluate functions, and propose an efficient method based on stochastic approximation for implementing a conceptual Bayesian optimization algorithm proposed by…

Machine Learning · Statistics 2019-05-07 Jialei Wang , Scott C. Clark , Eric Liu , Peter I. Frazier

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e.…

Machine Learning · Computer Science 2023-12-13 Samuel Stanton , Wesley Maddox , Andrew Gordon Wilson

Line search is a fundamental part of iterative optimization methods for unconstrained and bound-constrained optimization problems to determine suitable step lengths that provide sufficient improvement in each iteration. Traditional line…

Optimization and Control · Mathematics 2025-07-22 Robin Labryga , Tomislav Prusina , Sören Laue