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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) 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

In multi-task Bayesian optimization, the goal is to leverage experience from optimizing existing tasks to improve the efficiency of optimizing new ones. While approaches using multi-task Gaussian processes or deep kernel transfer exist, the…

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

Fine-tuning large language models (LLMs) with zeroth-order (ZO) optimization reduces memory by approximating gradients through function evaluations. However, existing methods essentially perform updates in a one-dimensional space, and…

Machine Learning · Computer Science 2026-01-19 Jian Feng , Zhihong Huang

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

The pursuit of universal black-box optimization (BBO) algorithms is a longstanding goal. However, unlike domains such as language or vision, where scaling structured data has driven generalization, progress in offline BBO remains hindered…

Machine Learning · Computer Science 2025-06-10 Rong-Xi Tan , Ming Chen , Ke Xue , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian

Various methods for robot design optimization have been developed so far. These methods are diverse, ranging from numerical optimization to black-box optimization. While numerical optimization is fast, it is not suitable for cases involving…

Robotics · Computer Science 2026-02-19 Kento Kawaharazuka , Yoshiki Obinata , Naoaki Kanazawa , Haoyu Jia , Kei Okada

Scaling training data and model parameters has long driven progress in large language models (LLMs), but this paradigm is increasingly constrained by the scarcity of high-quality data and diminishing returns from rising computational costs.…

Computation and Language · Computer Science 2026-05-18 Changyue Wang , Weihang Su , Qingyao Ai , Yiqun Liu

The design of Analog and Mixed-Signal (AMS) integrated circuits (ICs) often involves significant manual effort, especially during the transistor sizing process. While Machine Learning techniques in Electronic Design Automation (EDA) have…

Machine Learning · Computer Science 2025-12-23 Chang Liu , Danial Chitnis

Many important scientific problems involve multivariate optimization coupled with slow and laborious experimental measurements. These complex, high-dimensional searches can be defined by non-convex optimization landscapes that resemble…

Machine Learning · Computer Science 2025-09-22 Abdoulatif Cissé , Xenophon Evangelopoulos , Vladimir V. Gusev , Andrew I. Cooper

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by…

Machine Learning · Computer Science 2025-12-01 Anthony Carreon , Vansh Sharma , Venkat Raman

Offline black-box optimization (BBO) aims to find optimal designs based solely on an offline dataset of designs and their labels. Such scenarios frequently arise in domains like DNA sequence design and robotics, where only a few labeled…

Computational Engineering, Finance, and Science · Computer Science 2026-01-22 Ye Yuan , Can , Chen , Zipeng Sun , Dinghuai Zhang , Christopher Pal , Xue Liu

Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Here, we introduce ChemBOMAS: a large language model…

Large language models (LLMs) can perform accurate classification with zero or few examples through in-context learning. We extend this capability to regression with uncertainty estimation using frozen LLMs (e.g., GPT-3.5, Gemini), enabling…

Chemical Physics · Physics 2025-05-16 Mayk Caldas Ramos , Shane S. Michtavy , Marc D. Porosoff , Andrew D. White

This paper proposes a learning framework, RoSE-Opt, to achieve robust and efficient analog circuit parameter optimization. RoSE-Opt has two important features. First, it incorporates key domain knowledge of analog circuit design, such as…

Hardware Architecture · Computer Science 2024-07-30 Weidong Cao , Jian Gao , Tianrui Ma , Rui Ma , Mouhacine Benosman , Xuan Zhang

Design automation has the potential to substantially improve the efficiency of analog integrated circuit (IC) design. However, existing algorithms and tools typically focus on individual stages, such as device sizing, placement, or routing,…

Hardware Architecture · Computer Science 2026-04-24 Xian Rong Qin , Yong Zhang , Ying Hu , Tao Su , Bo-Wen Jia , Ning Xu

Large language models (LLMs) have achieved remarkable advancements in natural language processing, showcasing exceptional performance across various tasks. However, the expensive memory and computational requirements present significant…

Artificial Intelligence · Computer Science 2025-11-13 Ruihao Gong , Yifu Ding , Zining Wang , Chengtao Lv , Xingyu Zheng , Jinyang Du , Haotong Qin , Jinyang Guo , Michele Magno , Xianglong Liu

This study explores a novel approach to enhance the performance of Large Language Models (LLMs) through the optimization of input data within prompts. While previous research has primarily focused on refining instruction components and…

Machine Learning · Computer Science 2025-02-18 Sam Lin , Wenyue Hua , Lingyao Li , Zhenting Wang , Yongfeng Zhang