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This paper explores the use of foundational large language models (LLMs) in hyperparameter optimization (HPO). Hyperparameters are critical in determining the effectiveness of machine learning models, yet their optimization often relies on…

Machine Learning · Computer Science 2024-11-12 Michael R. Zhang , Nishkrit Desai , Juhan Bae , Jonathan Lorraine , Jimmy Ba

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) 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

Recent advanced large language models (LLMs) have showcased their emergent capability of in-context learning, facilitating intelligent decision-making through natural language prompts without retraining. This new machine learning paradigm…

Computational Engineering, Finance, and Science · Computer Science 2024-12-12 Xinxin Zhang , Zhuoqun Xu , Guangpu Zhu , Chien Ming Jonathan Tay , Yongdong Cui , Boo Cheong Khoo , Lailai Zhu

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

Hyperparameter optimization (HPO) plays a central role in the performance of deep learning models, yet remains computationally expensive and difficult to interpret, particularly for time-series forecasting. While Bayesian Optimization (BO)…

Machine Learning · Computer Science 2026-02-17 Ons Saadallah , Mátyás andó , Tamás Gábor Orosz

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

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…

Pseudo-Boolean Optimization (PBO) provides a powerful framework for modeling combinatorial problems through pseudo-Boolean (PB) constraints. Local search solvers have shown excellent performance in PBO solving, and their efficiency is…

Artificial Intelligence · Computer Science 2025-09-05 Jinyuan Li , Yi Chu , Yiwen Sun , Mengchuan Zou , Shaowei Cai

Large Language Model (LLM) systems have been the frontier of AI in many application domains, leading to new challenges and opportunities for hyperparameter optimization (HPO) for the AutoML community. However, this type of system exhibits…

Machine Learning · Computer Science 2026-05-12 Siyu Wu , Yulong Ye , Zezhen Xiang , Pengzhou Chen , Gangda Xiong , Tao Chen

In this reproducibility study, we revisit the LLAMBO framework of Daxberger et al. (2024), a prompting-based Bayesian optimization (BO) method that uses large language models as discriminative surrogates and acquisition optimizers via…

Computation and Language · Computer Science 2025-11-25 Adam Rychert , Gasper Spagnolo , Evgenii Posashkov

Hyperparameter optimization is critical in modern machine learning, requiring expert knowledge, numerous trials, and high computational and human resources. Despite the advancements in Automated Machine Learning (AutoML), challenges in…

Machine Learning · Computer Science 2025-02-27 Siyi Liu , Chen Gao , Yong Li

Determining the ideal architecture for deep learning models, such as the number of layers and neurons, is a difficult and resource-intensive process that frequently relies on human tuning or computationally costly optimization approaches.…

Artificial Intelligence · Computer Science 2025-04-22 Saad Hameed , Basheer Qolomany , Samir Brahim Belhaouari , Mohamed Abdallah , Junaid Qadir , Ala Al-Fuqaha

Large Language Models (LLMs) have revolutionized Natural Language Processing (NLP) but demand massive GPU resources for training. Lowering the threshold for LLMs training would encourage greater participation from researchers, benefiting…

Computation and Language · Computer Science 2024-06-07 Kai Lv , Yuqing Yang , Tengxiao Liu , Qinghui Gao , Qipeng Guo , Xipeng Qiu

Optimization problems often require domain-specific expertise to design problem-dependent methodologies. Recently, several approaches have gained attention by integrating large language models (LLMs) into genetic algorithms. Building on…

Neural and Evolutionary Computing · Computer Science 2025-04-15 Yamato Shinohara , Jinglue Xu , Tianshui Li , Hitoshi Iba

Automatic prompt optimization is an important approach to improving the performance of large language models (LLMs). Recent research demonstrates the potential of using LLMs as prompt optimizers, which can generate improved task prompts via…

Computation and Language · Computer Science 2025-01-28 Xinyu Tang , Xiaolei Wang , Wayne Xin Zhao , Siyuan Lu , Yaliang Li , Ji-Rong Wen

Large Language Models (LLMs) have demonstrated remarkable performance across various domains, motivating researchers to investigate their potential use in recommendation systems. However, directly applying LLMs to recommendation tasks has…

Information Retrieval · Computer Science 2024-06-21 Zhuoxi Bai , Ning Wu , Fengyu Cai , Xinyi Zhu , Yun Xiong

Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and…

Performance · Computer Science 2023-12-04 Longteng Zhang , Xiang Liu , Zeyu Li , Xinglin Pan , Peijie Dong , Ruibo Fan , Rui Guo , Xin Wang , Qiong Luo , Shaohuai Shi , Xiaowen Chu

Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task. Recent advancements in Large Language Models (LLMs)…

Machine Learning · Computer Science 2025-05-28 Wenhu Li , Niki van Stein , Thomas Bäck , Elena Raponi

Large Language Models (LLMs) show potential as sequential decision-making agents, but their application is often limited due to a reliance on large, computationally expensive models. This creates a need to improve smaller models, yet…

Computation and Language · Computer Science 2025-08-15 Jim Dilkes , Vahid Yazdanpanah , Sebastian Stein
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