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This study introduces SLLMBO, an innovative framework leveraging large language models (LLMs) for hyperparameter optimization (HPO), incorporating dynamic search space adaptability, enhanced parameter space exploitation, and a novel…

Machine Learning · Computer Science 2025-01-06 Kanan Mahammadli , Seyda Ertekin

Optimization of LLM training and inference configurations, such as hyperparameters, data mixtures, and prompts, is critical to performance, but it is often approached heuristically in practice, leading to potentially suboptimal outcomes. By…

Machine Learning · Computer Science 2026-05-19 Ruth Wan Theng Chew , Zhiliang Chen , Apivich Hemachandra , Bryan Kian Hsiang Low

When we manually design an evolutionary optimization algorithm, we implicitly or explicitly assume a set of target optimization problems. In the case of automated algorithm design, target optimization problems are usually explicitly shown.…

Neural and Evolutionary Computing · Computer Science 2025-03-03 Lie Meng Pang , Hisao Ishibuchi

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully…

Machine Learning · Computer Science 2025-10-29 Robert MacKnight , Jose Emilio Regio , Jeffrey G. Ethier , Luke A. Baldwin , Gabe Gomes

Large Transformer models are capable of implementing a plethora of so-called in-context learning algorithms. These include gradient descent, classification, sequence completion, transformation, and improvement. In this work, we investigate…

Artificial Intelligence · Computer Science 2024-02-29 Robert Tjarko Lange , Yingtao Tian , Yujin Tang

Optimization algorithms are widely employed to tackle complex problems, but designing them manually is often labor-intensive and requires significant expertise. Global placement is a fundamental step in electronic design automation (EDA).…

Neural and Evolutionary Computing · Computer Science 2025-04-28 Xufeng Yao , Jiaxi Jiang , Yuxuan Zhao , Peiyu Liao , Yibo Lin , Bei Yu

Bayesian Optimisation (BO) refers to a suite of techniques for global optimisation of expensive black box functions, which use introspective Bayesian models of the function to efficiently search for the optimum. While BO has been applied…

The integration of large language models (LLMs) into automated algorithm design has shown promising potential. A prevalent approach embeds LLMs within search routines to iteratively generate and refine candidate algorithms. However, most…

Machine Learning · Computer Science 2026-05-20 Fei Liu , Rui Zhang , Xi Lin , Zhichao Lu , Qingfu Zhang

Mathematical optimization is a powerful tool for structured decision-making across domains such as resource allocation and planning. Formulating optimization models faithful to reality, though, remains a significant bottleneck as it…

Artificial Intelligence · Computer Science 2026-05-27 Eleni Straitouri , Cheol Woo Kim , Milind Tambe

Evolutionary algorithms excel in solving complex optimization problems, especially those with multiple objectives. However, their stochastic nature can sometimes hinder rapid convergence to the global optima, particularly in scenarios…

Neural and Evolutionary Computing · Computer Science 2024-05-10 Zeyi Wang , Songbai Liu , Jianyong Chen , Kay Chen Tan

The advent of Large Language Models (LLMs) has opened new frontiers in automated algorithm design, giving rise to numerous powerful methods. However, these approaches retain critical limitations: they require extensive evaluation of the…

Neural and Evolutionary Computing · Computer Science 2026-02-05 Haoran Yin , Shuaiqun Pan , Zhao Wei , Jian Cheng Wong , Yew-Soon Ong , Anna V. Kononova , Thomas Bäck , Niki van Stein

Machine learning and Bayesian optimization (BO) algorithms can significantly accelerate the optimization of chemical reactions. Transfer learning can bolster the effectiveness of BO algorithms in low-data regimes by leveraging pre-existing…

Machine Learning · Computer Science 2025-04-15 Roshan Patel , Saeed Moayedpour , Louis De Lescure , Lorenzo Kogler-Anele , Alan Cherney , Sven Jager , Yasser Jangjou

Hyperparameter optimization is a crucial problem in Evolutionary Computation. In fact, the values of the hyperparameters directly impact the trajectory taken by the optimization process, and their choice requires extensive reasoning by…

Neural and Evolutionary Computing · Computer Science 2024-08-06 Leonardo Lucio Custode , Fabio Caraffini , Anil Yaman , Giovanni Iacca

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations,…

Optimization and Control · Mathematics 2024-03-06 Zeyuan Ma , Hongshu Guo , Jiacheng Chen , Guojun Peng , Zhiguang Cao , Yining Ma , Yue-Jiao Gong

Not all generate-and-test search algorithms are created equal. Bayesian Optimization (BO) invests a lot of computation time to generate the candidate solution that best balances the predicted value and the uncertainty given all previous…

Neural and Evolutionary Computing · Computer Science 2020-05-11 Gongjin Lan , Jakub M. Tomczak , Diederik M. Roijers , A. E. Eiben

Large Language Models (LLMs) possess substantial reasoning capabilities and are increasingly applied to optimization tasks, particularly in synergy with evolutionary computation. However, while recent surveys have explored specific aspects…

Neural and Evolutionary Computing · Computer Science 2026-01-08 Yisong Zhang , Ran Cheng , Guoxing Yi , Kay Chen Tan

Large Language Models (LLMs) have demonstrated great promise in generating code, especially when used inside an evolutionary computation framework to iteratively optimize the generated algorithms. However, in some cases they fail to…

Neural and Evolutionary Computing · Computer Science 2025-03-24 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

Large language models have enabled automated algorithm design (AAD) by generating optimization algorithms directly from natural-language prompts. While evolutionary frameworks such as LLaMEA demonstrate strong exploratory capabilities…

Artificial Intelligence · Computer Science 2026-01-30 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

Bayesian optimization (BO) is a successful methodology to optimize black-box functions that are expensive to evaluate. While traditional methods optimize each black-box function in isolation, there has been recent interest in speeding up BO…

Machine Learning · Statistics 2019-09-30 Valerio Perrone , Huibin Shen , Matthias Seeger , Cedric Archambeau , Rodolphe Jenatton

Future wireless networks are expected to incorporate diverse services that often lack general mathematical models. To address such black-box network management tasks, the large language model (LLM) optimizer framework, which leverages…

Information Theory · Computer Science 2025-07-04 Hoon Lee , Wentao Zhou , Merouane Debbah , Inkyu Lee