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Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

Machine Learning · Computer Science 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on…

Machine Learning · Computer Science 2024-03-11 Tennison Liu , Nicolás Astorga , Nabeel Seedat , Mihaela van der Schaar

Large Language Models (LLMs) such as GPT-4 have demonstrated their ability to understand natural language and generate complex code snippets. This paper introduces a novel Large Language Model Evolutionary Algorithm (LLaMEA) framework,…

Neural and Evolutionary Computing · Computer Science 2025-01-31 Niki van Stein , Thomas Bäck

Bayesian Optimization (BO) has been widely used to efficiently optimize expensive black-box functions with limited evaluations. In this paper, we investigate the use of BO for prompt engineering to enhance text classification with Large…

Artificial Intelligence · Computer Science 2025-10-17 Adam Ballew , Jingbo Wang , Shaogang Ren

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for such problems. However, traditional BO methods are prone to get…

Artificial Intelligence · Computer Science 2025-09-29 Zhuo Yang , Daolang Wang , Lingli Ge , Beilun Wang , Tianfan Fu , Yuqiang Li

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

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

Fine-tuning Large Language Models (LLMs) with Low-Rank Adaptation (LoRA) offers a resource-efficient way to personalize or specialize. However, LoRA is highly sensitive to hyperparameter choices, and exhaustive hyperparameter search is…

Computation and Language · Computer Science 2026-05-29 Baek Seong-Eun , Lee Jung-Mok , Kim Sung-Bin , Tae-Hyun Oh

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

Machine Learning · Statistics 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar

Large Language Models (LLMs) have shown great potential in automatically generating and optimizing (meta)heuristics, making them valuable tools in heuristic optimization tasks. However, LLMs are generally inefficient when it comes to…

Neural and Evolutionary Computing · Computer Science 2025-05-23 Niki van Stein , Diederick Vermetten , Thomas Bäck

Multiobjective evolutionary algorithms (MOEAs) are major methods for solving multiobjective optimization problems (MOPs). Many MOEAs have been proposed in the past decades, of which the search operators need a carefully handcrafted design…

Neural and Evolutionary Computing · Computer Science 2024-03-27 Fei Liu , Xi Lin , Zhenkun Wang , Shunyu Yao , Xialiang Tong , Mingxuan Yuan , Qingfu Zhang

Benchmarking in continuous black-box optimisation is hindered by the limited structural diversity of existing test suites such as BBOB. We explore whether large language models embedded in an evolutionary loop can be used to design…

Artificial Intelligence · Computer Science 2026-01-28 Urban Skvorc , Niki van Stein , Moritz Seiler , Britta Grimme , Thomas Bäck , Heike Trautmann

Analog circuit design requires substantial human expertise and involvement, which is a significant roadblock to design productivity. Bayesian Optimization (BO), a popular machine learning based optimization strategy, has been leveraged to…

Machine Learning · Computer Science 2025-04-04 Yuxuan Yin , Yu Wang , Boxun Xu , Peng Li

Multi-objective optimization is a common problem in practical applications, and multi-objective evolutionary algorithm (MOEA) is considered as one of the effective methods to solve these problems. However, their randomness sometimes…

Neural and Evolutionary Computing · Computer Science 2024-10-04 Wanyi Liu , Long Chen , Zhenzhou Tang

We consider the task of generating functionally correct code using large language models (LLMs). The correctness of generated code is influenced by the prompt used to query the given base LLM. We formulate the problem of finding the…

Software Engineering · Computer Science 2025-12-18 Shlok Tomar , Aryan Deshwal , Ethan Villalovoz , Mattia Fazzini , Haipeng Cai , Janardhan Rao Doppa

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their…

Machine Learning · Computer Science 2026-03-04 Qi Huang , Furong Ye , Ananta Shahane , Thomas Bäck , Niki van Stein

Optimization benchmarks play a fundamental role in assessing algorithm performance; however, existing artificial benchmarks often fail to capture the diversity and irregularity of real-world problem structures, while benchmarks derived from…

Neural and Evolutionary Computing · Computer Science 2026-01-26 Yuhiro Ono , Tomohiro Harada , Yukiya Miura

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

Many real-world optimization problems are guided by complex, subjective preferences that are difficult to express as explicit closed-form objectives. In response, we introduce Language-in-the-Loop Optimization (LILO), a Bayesian…

Machine Learning · Computer Science 2026-05-12 Katarzyna Kobalczyk , Zhiyuan Jerry Lin , Benjamin Letham , Zhuokai Zhao , Maximilian Balandat , Eytan Bakshy

Meta-black-box optimization has been significantly advanced through the use of large language models (LLMs), yet in fancy on constrained evolutionary optimization. In this work, AwesomeDE is proposed that leverages LLMs as the strategy of…

Neural and Evolutionary Computing · Computer Science 2026-03-11 Xu Yang , Rui Wang , Kaiwen Li , Wenhua Li , Weixiong Huang
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