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This paper proposes and evaluates the k-greedy equivalence search algorithm (KES) for learning Bayesian networks (BNs) from complete data. The main characteristic of KES is that it allows a trade-off between greediness and randomness, thus…

Machine Learning · Computer Science 2012-12-12 Jens D. Nielsen , Tomas Kocka , Jose M. Pena

Over the past half-decade, many methods have been considered for neural architecture search (NAS). Bayesian optimization (BO), which has long had success in hyperparameter optimization, has recently emerged as a very promising strategy for…

Machine Learning · Computer Science 2022-06-13 Colin White , Willie Neiswanger , Yash Savani

Bayesian optimization (BO) is an effective approach to optimize expensive black-box functions, that seeks to trade-off between exploitation (selecting parameters where the maximum is likely) and exploration (selecting parameters where we…

Machine Learning · Statistics 2021-10-19 Tristan Fauvel , Matthew Chalk

Bayesian Optimization (BO) machine learning method is increasingly used to guide experimental optimization tasks in materials science. To emulate the large number of input variables and noise-containing results in experimental materials…

We consider the problem of black-box multi-objective optimization (MOO) using expensive function evaluations (also referred to as experiments), where the goal is to approximate the true Pareto set of solutions by minimizing the total…

Machine Learning · Computer Science 2021-11-05 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Noisy data are often viewed as a challenge for decision-making. This paper studies a distributionally robust optimization (DRO) that shows how such noise can be systematically incorporated. Rather than applying DRO to the noisy empirical…

Optimization and Control · Mathematics 2025-09-03 Chung-Han Hsieh , Rong Gan

This paper presents an information-theoretic framework for unifying active learning problems: level set estimation (LSE), Bayesian optimization (BO), and their generalized variant. We first introduce a novel active learning criterion that…

Machine Learning · Computer Science 2020-12-22 Quoc Phong Nguyen , Bryan Kian Hsiang Low , Patrick Jaillet

Robustness of deep neural networks to input noise remains a critical challenge, as naive noise injection often degrades accuracy on clean (uncorrupted) data. We propose a novel training framework that addresses this trade-off through two…

Machine Learning · Statistics 2026-01-06 Hai-Vy Nguyen , Fabrice Gamboa , Sixin Zhang , Reda Chhaibi , Serge Gratton , Thierry Giaccone

Bayesian optimization (BO) is an efficient method for optimizing expensive black-box functions. In real-world applications, BO often faces a major problem of missing values in inputs. The missing inputs can happen in two cases. First, the…

Machine Learning · Computer Science 2020-06-22 Phuc Luong , Dang Nguyen , Sunil Gupta , Santu Rana , Svetha Venkatesh

This paper describes a general-purpose extension of max-value entropy search, a popular approach for Bayesian Optimisation (BO). A novel approximation is proposed for the information gain -- an information-theoretic quantity central to…

Machine Learning · Computer Science 2021-10-27 Henry B. Moss , David S. Leslie , Javier Gonzalez , Paul Rayson

Deep Neural Networks (DNNs) have revolutionized a wide range of industries, from healthcare and finance to automotive, by offering unparalleled capabilities in data analysis and decision-making. Despite their transforming impact, DNNs face…

Machine Learning · Computer Science 2024-02-08 Zhenyu Liu , Garrett Gagnon , Swagath Venkataramani , Liu Liu

Recently, neural architecture search (NAS) has been applied to automate the design of neural networks in real-world applications. A large number of algorithms have been developed to improve the search cost or the performance of the final…

Machine Learning · Computer Science 2022-06-20 Yao Shu , Yizhou Chen , Zhongxiang Dai , Bryan Kian Hsiang Low

Although the existing max-value entropy search (MES) is based on the widely celebrated notion of mutual information, its empirical performance can suffer due to two misconceptions whose implications on the exploration-exploitation trade-off…

Machine Learning · Computer Science 2022-03-01 Quoc Phong Nguyen , Bryan Kian Hsiang Low , Patrick Jaillet

Many expensive black-box optimisation problems are sensitive to their inputs. In these problems it makes more sense to locate a region of good designs, than a single-possibly fragile-optimal design. Expensive black-box functions can be…

Machine Learning · Computer Science 2021-12-16 Nicholas D. Sanders , Richard M. Everson , Jonathan E. Fieldsend , Alma A. M. Rahat

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to…

Machine Learning · Computer Science 2023-05-04 Natalie Maus , Kaiwen Wu , David Eriksson , Jacob Gardner

Efficient approximation lies at the heart of large-scale machine learning problems. In this paper, we propose a novel, robust maximum entropy algorithm, which is capable of dealing with hundreds of moments and allows for computationally…

Machine Learning · Statistics 2019-06-05 Diego Granziol , Binxin Ru , Stefan Zohren , Xiaowen Doing , Michael Osborne , Stephen Roberts

Bayesian Optimization (BO) is an effective framework for globally optimizing functions whose evaluations are expensive. It is particularly effective for optimizing functions defined over continuous domains and explicitly handles stochastic…

Computational Engineering, Finance, and Science · Computer Science 2026-05-21 Buqing Ou , Frederike Dümbgen

Sequential maximization of expected improvement (EI) is one of the most widely used policies in Bayesian optimization because of its simplicity and ability to handle noisy observations. In particular, the improvement function often uses the…

Machine Learning · Computer Science 2023-11-15 Han Zhou , Xingchen Ma , Matthew B Blaschko

This paper introduces a modified Byrd-Omojokun (BO) trust region algorithm to address the challenges posed by noisy function and gradient evaluations. The original BO method was designed to solve equality constrained problems and it forms…

Optimization and Control · Mathematics 2024-11-06 Shigeng Sun , Jorge Nocedal

Real-world problems often involve the optimization of several objectives under multiple constraints. An example is the hyper-parameter tuning problem of machine learning algorithms. In particular, the minimization of the estimation of the…

Machine Learning · Statistics 2021-07-02 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato