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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) 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

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…

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

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

Iterative preference optimization has recently become one of the de-facto training paradigms for large language models (LLMs), but the performance is still underwhelming due to too much noisy preference data yielded in the loop. To combat…

Computation and Language · Computer Science 2024-09-18 Jianing Wang , Yang Zhou , Xiaocheng Zhang , Mengjiao Bao , Peng Yan

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

Momentum-Aided Prompt Optimization (MAPO) enhances the efficiency and efficacy of prompt optimization for Large Language Models (LLMs). Building on ProTeGi, MAPO uses positive natural language "gradients" and a momentum-based extension to…

Computation and Language · Computer Science 2025-06-30 Anthony Cui , Pranav Nandyalam , Andrew Rufail , Ethan Cheung , Aiden Lei , Kevin Zhu , Sean O'Brien

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

Large Language Models (LLMs) have demonstrated remarkable generalization capabilities, but aligning their outputs with human preferences typically requires expensive supervised fine-tuning. Recent test-time methods leverage textual feedback…

Computation and Language · Computer Science 2025-12-15 Shibing Mo , Haoyang Ruan , Kai Wu , Jing Liu

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

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

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 shown impressive performance as general purpose agents, but their abilities remain highly dependent on prompts which are hand written with onerous trial-and-error effort. We propose a simple and…

Computation and Language · Computer Science 2023-10-20 Reid Pryzant , Dan Iter , Jerry Li , Yin Tat Lee , Chenguang Zhu , Michael Zeng

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

Bayesian Optimization critically depends on the choice of acquisition function, but no single strategy is universally optimal; the best choice is non-stationary and problem-dependent. Existing adaptive portfolio methods often base their…

Machine Learning · Computer Science 2026-02-10 Giang Ngo , Dat Phan Trong , Dang Nguyen , Sunil Gupta , Svetha Venkatesh

The optimal assignment of Large Language Models (LLMs) to specialized roles in multi-agent systems is a significant challenge, defined by a vast combinatorial search space, expensive black-box evaluations, and an inherent trade-off between…

Multiagent Systems · Computer Science 2025-11-18 Antonio Sabbatella

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

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

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders…

Machine Learning · Computer Science 2023-11-21 Seunghun Lee , Jaewon Chu , Sihyeon Kim , Juyeon Ko , Hyunwoo J. Kim
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