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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…

Machine Learning · Computer Science 2024-12-24 Quoc-Anh Hoang Nguyen , The Hung Tran

Bayesian optimization (BO) is a popular algorithm for solving challenging optimization tasks. It is designed for problems where the objective function is expensive to evaluate, perhaps not available in exact form, without gradient…

Machine Learning · Statistics 2018-08-22 Umberto Noè , Dirk Husmeier

Limbo is an open-source C++11 library for Bayesian optimization which is designed to be both highly flexible and very fast. It can be used to optimize functions for which the gradient is unknown, evaluations are expensive, and runtime cost…

Machine Learning · Computer Science 2016-11-23 Antoine Cully , Konstantinos Chatzilygeroudis , Federico Allocati , Jean-Baptiste Mouret

Bayesian optimization is a broadly applied methodology to optimize the expensive black-box function. Despite its success, it still faces the challenge from the high-dimensional search space. To alleviate this problem, we propose a novel…

Machine Learning · Computer Science 2020-10-20 Jingfan Chen , Guanghui Zhu , Chunfeng Yuan , Yihua Huang

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on…

Optimization and Control · Mathematics 2021-07-05 Tianlong Chen , Xiaohan Chen , Wuyang Chen , Howard Heaton , Jialin Liu , Zhangyang Wang , Wotao Yin

Bayesian optimization has recently emerged as a popular method for the sample-efficient optimization of expensive black-box functions. However, the application to high-dimensional problems with several thousand observations remains…

Machine Learning · Computer Science 2020-02-26 David Eriksson , Michael Pearce , Jacob R Gardner , Ryan Turner , Matthias Poloczek

Large reasoning models have achieved remarkable performance through extended chain-of-thought sequences, yet this computational freedom leads to excessive token generation even for simple problems. We present Length-Adaptive Policy…

Artificial Intelligence · Computer Science 2025-08-15 Xingyu Wu , Yuchen Yan , Shangke Lyu , Linjuan Wu , Yiwen Qiu , Yongliang Shen , Weiming Lu , Jian Shao , Jun Xiao , Yueting Zhuang

Multi-objective optimization problems (MOPs) are ubiquitous in real-world applications, presenting a complex challenge of balancing multiple conflicting objectives. Traditional evolutionary algorithms (EAs), though effective, often rely on…

Neural and Evolutionary Computing · Computer Science 2024-07-29 Yuxiao Huang , Shenghao Wu , Wenjie Zhang , Jibin Wu , Liang Feng , Kay Chen Tan

The performance of deep (reinforcement) learning systems crucially depends on the choice of hyperparameters. Their tuning is notoriously expensive, typically requiring an iterative training process to run for numerous steps to convergence.…

Machine Learning · Computer Science 2021-01-19 Vu Nguyen , Sebastian Schulze , Michael A Osborne

Bayesian optimization (BO) is a model-based approach for gradient-free black-box function optimization. Typically, BO is powered by a Gaussian process (GP), whose algorithmic complexity is cubic in the number of evaluations. Hence, GP-based…

Machine Learning · Statistics 2017-12-11 Valerio Perrone , Rodolphe Jenatton , Matthias Seeger , Cedric Archambeau

Large Language Models (LLMs) have driven substantial progress in artificial intelligence in recent years, exhibiting impressive capabilities across a wide range of tasks, including mathematical problem-solving. Inspired by the success of…

Computation and Language · Computer Science 2023-10-20 Xueliang Zhao , Xinting Huang , Wei Bi , Lingpeng Kong

Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a…

Machine Learning · Computer Science 2026-02-09 Yingming Pu , Tao Lin , Hongyu Chen

The rapid evolution of Large Language Models (LLMs) has markedly expanded their application across diverse domains, transforming how complex problems are approached and solved. Initially conceived to predict subsequent words in texts, these…

Artificial Intelligence · Computer Science 2024-07-11 Sumedh Rasal , E. J. Hauer

Purpose: Machine learning is broadly used for clinical data analysis. Before training a model, a machine learning algorithm must be selected. Also, the values of one or more model parameters termed hyper-parameters must be set. Selecting…

Machine Learning · Computer Science 2018-12-10 Xueqiang Zeng , Gang Luo

Bayesian Optimization (BO) is a powerful tool for optimizing complex non-linear systems. However, its performance degrades in high-dimensional problems with tightly coupled parameters and highly asymmetric objective landscapes, where…

Machine Learning · Computer Science 2026-02-12 Aashwin Mishra , Matt Seaberg , Ryan Roussel , Daniel Ratner , Apurva Mehta

Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and…

Recent advances in large language models (LLMs) have enabled automated dataset labeling with minimal human supervision. While majority voting across multiple LLMs can improve label reliability by mitigating individual model biases, it…

Machine Learning · Computer Science 2025-12-16 Eray Can Elumar , Cem Tekin , Osman Yagan

In a standard setting of Bayesian optimization (BO), the objective function evaluation is assumed to be highly expensive. Multi-fidelity Bayesian optimization (MFBO) accelerates BO by incorporating lower fidelity observations available with…

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

We consider Bayesian optimization of expensive-to-evaluate experiments that generate vector-valued outcomes over which a decision-maker (DM) has preferences. These preferences are encoded by a utility function that is not known in closed…

Machine Learning · Computer Science 2022-03-23 Zhiyuan Jerry Lin , Raul Astudillo , Peter I. Frazier , Eytan Bakshy