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To solve a machine learning problem, one typically needs to perform data preprocessing, modeling, and hyperparameter tuning, which is known as model selection and hyperparameter optimization.The goal of automated machine learning (AutoML)…

Machine Learning · Computer Science 2019-04-19 Weilin Zhou , Frederic Precioso

This paper describes an efficient reduction of the learning problem of ranking to binary classification. The reduction guarantees an average pairwise misranking regret of at most that of the binary classifier regret, improving a recent…

Machine Learning · Computer Science 2007-12-07 Nir Ailon , Mehryar Mohri

We study the linear bandit problem under limited adaptivity, known as the batched linear bandit. While existing approaches can achieve near-optimal regret in theory, they are often computationally prohibitive or underperform in practice. We…

Machine Learning · Statistics 2025-08-12 Sanghoon Yu , Min-hwan Oh

In Bayesian optimization (BO) for expensive black-box optimization tasks, acquisition function (AF) guides sequential sampling and plays a pivotal role for efficient convergence to better optima. Prevailing AFs usually rely on artificial…

Machine Learning · Computer Science 2022-10-04 Zijing Liu , Xiyao Qu , Xuejun Liu , Hongqiang Lyu

Bayesian Optimization (BO) is a key methodology for accelerating molecular discovery by estimating the mapping from molecules to their properties while seeking the optimal candidate. Typically, BO iteratively updates a probabilistic…

Machine Learning · Computer Science 2025-12-17 Qi Chen , Fabio Ramos , Alán Aspuru-Guzik , Florian Shkurti

Optimization of problems with high computational power demands is a challenging task. A probabilistic approach to such optimization called Bayesian optimization lowers performance demands by solving mathematically simpler model of the…

Machine Learning · Computer Science 2021-01-27 Jakub Klus , Pavel Grunt , Martin Dobrovolný

In this paper, a novel approach for the optimal combination of binary classifiers is proposed. The classifier combination problem is approached from a Game Theory perspective. The proposed framework of adapted weighted majority rules (WMR)…

Machine Learning · Computer Science 2013-02-05 Harris V. Georgiou , Michael E. Mavroforakis

Constrained optimization in high-dimensional black-box settings is difficult due to expensive evaluations, the lack of gradient information, and complex feasibility regions. In this work, we propose a Bayesian optimization method that…

Machine Learning · Statistics 2026-03-26 Raju Chowdhury , Tanmay Sen , Prajamitra Bhuyan , Biswabrata Pradhan

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

Mislabeled, duplicated, or biased data in real-world scenarios can lead to prolonged training and even hinder model convergence. Traditional solutions prioritizing easy or hard samples lack the flexibility to handle such a variety…

Machine Learning · Computer Science 2023-11-08 Zhijie Deng , Peng Cui , Jun Zhu

Bayesian optimization is a popular and versatile approach that is well suited to solve challenging optimization problems. Their popularity comes from their effective minimization of expensive function evaluations, their capability to…

Optimization and Control · Mathematics 2026-05-14 André L. Marchildon , David W. Zingg

Online model selection in Bayesian bandits raises a fundamental exploration challenge: When an environment instance is sampled from a prior distribution, how can we design an adaptive strategy that explores multiple bandit learners and…

Machine Learning · Computer Science 2026-02-23 Aida Afshar , Yuke Zhang , Aldo Pacchiano

Bayesian regression trees are flexible non-parametric models that are well suited to many modern statistical regression problems. Many such tree models have been proposed, from the simple single- tree model to more complex tree ensembles.…

Computation · Statistics 2013-12-09 M. T. Pratola

We consider multi-objective optimization (MOO) of an unknown vector-valued function in the non-parametric Bayesian optimization (BO) setting, with the aim being to learn points on the Pareto front of the objectives. Most existing BO…

Machine Learning · Computer Science 2020-08-21 Sayak Ray Chowdhury , Aditya Gopalan

Modern Bayesian optimization and adaptive sampling methods increasingly rely on nonlinear parametric models, yet theoretical guarantees for such models under adaptive data collection remain limited. Existing analyses largely focus on…

Machine Learning · Statistics 2026-05-14 Rafael Oliveira

In this work, we propose a computationally efficient algorithm for the problem of global optimization in univariate loss functions. For the performance evaluation, we study the cumulative regret of the algorithm instead of the simple regret…

Machine Learning · Computer Science 2022-01-19 Kaan Gokcesu , Hakan Gokcesu

Bayesian optimization has become a successful tool for hyperparameter optimization of machine learning algorithms, such as support vector machines or deep neural networks. Despite its success, for large datasets, training and validating a…

Machine Learning · Computer Science 2017-03-08 Aaron Klein , Stefan Falkner , Simon Bartels , Philipp Hennig , Frank Hutter

Bayesian Optimization is methodology used in statistical modelling that utilizes a Gaussian process prior distribution to iteratively update a posterior distribution towards the true distribution of the data. Finding unbiased informative…

Machine Learning · Computer Science 2021-01-05 Ruduan Plug

This paper studies system identification for nonlinear state-space models, a problem that arises across many fields yet remains challenging in practice. Focusing on maximum likelihood estimation, we employ Bayesian optimization (BayesOpt)…

Systems and Control · Electrical Eng. & Systems 2026-03-30 Hao Tu , Jackson Fogelquist , Iman Askari , Xinfan Lin , Yebin Wang , Shiguang Deng , Huazhen Fang

We study a class of adversarial bandit optimization problems in which the loss functions may be non-convex and non-smooth. In each round, the learner observes a loss that consists of an underlying linear component together with an…

Machine Learning · Computer Science 2026-03-30 Zhuoyu Cheng , Kohei Hatano , Eiji Takimoto
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