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Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

Optimization and Control · Mathematics 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

The $(1+(\lambda,\lambda))$ genetic algorithm is a recently proposed single-objective evolutionary algorithm with several interesting properties. We show that its main working principle, mutation with a high rate and crossover as repair…

Neural and Evolutionary Computing · Computer Science 2022-10-10 Benjamin Doerr , Omar El Hadri , Adrien Pinard

Expensive multi-objective optimization problems can be found in many real-world applications, where their objective function evaluations involve expensive computations or physical experiments. It is desirable to obtain an approximate Pareto…

Neural and Evolutionary Computing · Computer Science 2022-10-18 Xi Lin , Zhiyuan Yang , Xiaoyuan Zhang , Qingfu Zhang

In this paper, we study offline preference-based reinforcement learning (PbRL), where learning is based on pre-collected preference feedback over pairs of trajectories. While offline PbRL has demonstrated remarkable empirical success,…

Machine Learning · Computer Science 2025-06-04 Hyungkyu Kang , Min-hwan Oh

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

Artificial Intelligence · Computer Science 2026-05-19 Xinzhe Yuan , Zhuo Chen , Jianshu Zhang , Huan Xiong , Nanyang Ye , Yuqiang Li , Qinying Gu

Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of…

Machine Learning · Computer Science 2024-07-09 Pallavi Mitra , Felix Biessmann

A new global stochastic search, guided mainly through derivative-free directional information computable from the sample statistical moments of the design variables within a Monte Carlo setup, is proposed. The search is aided by imparting…

Methodology · Statistics 2014-03-10 Saikat Sarkar , Debasish Roy , Ram Mohan Vasu

Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

Machine Learning · Computer Science 2025-09-29 Ziqing Wang , Yibo Wen , William Pattie , Xiao Luo , Weimin Wu , Jerry Yao-Chieh Hu , Abhishek Pandey , Han Liu , Kaize Ding

Bayesian global optimization (BGO) is an efficient surrogate-assisted technique for problems involving expensive evaluations. A parallel technique can be used to parallelly evaluate the true-expensive objective functions in one iteration to…

Artificial Intelligence · Computer Science 2022-08-09 Kaifeng Yang , Guozhi Dong , Michael Affenzeller

Sample efficiency is one of the key factors when applying policy search to real-world problems. In recent years, Bayesian Optimization (BO) has become prominent in the field of robotics due to its sample efficiency and little prior…

Robotics · Computer Science 2020-11-19 Lukas P. Fröhlich , Melanie N. Zeilinger , Edgar D. Klenske

Combinatorial optimization problems are notoriously challenging due to their discrete structure and exponentially large solution space. Recent advances in deep reinforcement learning (DRL) have enabled the learning heuristics directly from…

Machine Learning · Computer Science 2025-06-12 Shengda Gu , Kai Li , Junliang Xing , Yifan Zhang , Jian Cheng

Bayesian optimization is a popular formalism for global optimization, but its computational costs limit it to expensive-to-evaluate functions. A competing, computationally more efficient, global optimization framework is optimistic…

Machine Learning · Computer Science 2022-09-05 Julia Grosse , Cheng Zhang , Philipp Hennig

Designing a fast and efficient optimization method with local optima avoidance capability on a variety of optimization problems is still an open problem for many researchers. In this work, the concept of a new global optimization method…

Neural and Evolutionary Computing · Computer Science 2012-08-13 Fereydoun Farrahi Moghaddam , Reza Farrahi Moghaddam , Mohamed Cheriet

We consider whether conditions exist under which block-coordinate descent is asymptotically efficient in evolutionary multi-objective optimization, addressing an open problem. Block-coordinate descent, where an optimization problem is…

Neural and Evolutionary Computing · Computer Science 2024-07-17 Benjamin Doerr , Joshua Knowles , Aneta Neumann , Frank Neumann

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…

Machine Learning · Computer Science 2024-07-01 Jiarong Pan , Stefan Falkner , Felix Berkenkamp , Joaquin Vanschoren

A class of algorithms for the solution of discrete material optimization problems in electromagnetic applications is discussed. The idea behind the algorithm is similar to that of the sequential programming. However, in each major iteration…

Optimization and Control · Mathematics 2017-07-14 Johannes Semmler , Lukas Pflug , Michael Stingl

Multi-Agent Reinforcement Learning (MARL) considers settings in which a set of coexisting agents interact with one another and their environment. The adaptation and learning of other agents induces non-stationarity in the environment…

Machine Learning · Computer Science 2020-06-09 Ian Davies , Zheng Tian , Jun Wang

A key challenge in reinforcement learning (RL) is managing the exploration-exploitation trade-off without sacrificing sample efficiency. Policy gradient (PG) methods excel in exploitation through fine-grained, gradient-based optimization…

Machine Learning · Computer Science 2025-04-18 Zelal Su "Lain" Mustafaoglu , Keshav Pingali , Risto Miikkulainen

Long-horizon decision-making tasks present significant challenges for LLM-based agents due to the need for extensive planning over multiple steps. In this paper, we propose a hierarchical framework that decomposes complex tasks into…

Machine Learning · Computer Science 2024-10-07 Qi Zhao , Haotian Fu , Chen Sun , George Konidaris

Model-based algorithms, which learn a dynamics model from logged experience and perform some sort of pessimistic planning under the learned model, have emerged as a promising paradigm for offline reinforcement learning (offline RL).…

Machine Learning · Computer Science 2022-01-28 Tianhe Yu , Aviral Kumar , Rafael Rafailov , Aravind Rajeswaran , Sergey Levine , Chelsea Finn