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A prompt is a sequence of symbol or tokens, selected from a vocabulary according to some rule, which is prepended/concatenated to a textual query. A key problem is how to select the sequence of tokens: in this paper we formulate it as a…

Machine Learning · Computer Science 2023-12-04 Antonio Sabbatella , Andrea Ponti , Antonio Candelieri , Ilaria Giordani , Francesco Archetti

Effectively adapting powerful pretrained foundation models to diverse tasks remains a key challenge in AI deployment. Current approaches primarily follow two paradigms:discrete optimization of text prompts through prompt engineering, or…

Computation and Language · Computer Science 2025-08-06 Xiaoming Hou , Jiquan Zhang , Zibin Lin , DaCheng Tao , Shengli Zhang

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such…

Machine Learning · Computer Science 2023-11-07 Lin Yang , Junlong Lyu , Wenlong Lyu , Zhitang Chen

Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

Machine Learning · Computer Science 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin

In recent years, the use of prompts to guide the output of Large Language Models have increased dramatically. However, even the best of experts struggle to choose the correct words to stitch up a prompt for the desired task. To solve this,…

Computation and Language · Computer Science 2025-04-30 Yash Jain , Vishal Chowdhary

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

The sample efficiency of Bayesian optimization algorithms depends on carefully crafted acquisition functions (AFs) guiding the sequential collection of function evaluations. The best-performing AF can vary significantly across optimization…

Bayesian optimization (BO) has become popular for sequential optimization of black-box functions. When BO is used to optimize a target function, we often have access to previous evaluations of potentially related functions. This begs the…

Machine Learning · Computer Science 2022-06-17 Zhongxiang Dai , Yizhou Chen , Haibin Yu , Bryan Kian Hsiang Low , Patrick Jaillet

Local Bayesian optimization is a promising practical approach to solve the high dimensional black-box function optimization problem. Among them is the approximated gradient class of methods, which implements a strategy similar to gradient…

Machine Learning · Computer Science 2024-05-27 Zheyi Fan , Wenyu Wang , Szu Hui Ng , Qingpei Hu

Iterative code generation with Large Language Models (LLMs) can be viewed as an optimization process guided by textual feedback. However, existing LLM self-correction methods predominantly operate in a stateless, trial-and-error manner akin…

Machine Learning · Computer Science 2026-03-31 Zizheng Zhang , Yuyang Liao , Chen Chen , Jian He , Dun Wu , Qianjin Yu , Yanqin Gao , Jin Yang , Kailai Zhang , Eng Siong Chng , Xionghu Zhong

Large language models (LLMs) have recently been employed as agents to solve sequential decision-making tasks such as Bayesian optimization and multi-armed bandits (MAB). These works usually adopt an LLM for sequential action selection by…

Machine Learning · Computer Science 2025-02-04 Mingze Kong , Zhiyong Wang , Yao Shu , Zhongxiang Dai

Bayesian Optimization (BO) has been recognized for its effectiveness in optimizing expensive and complex objective functions. Recent advancements in Latent Bayesian Optimization (LBO) have shown promise by integrating generative models such…

Machine Learning · Computer Science 2025-04-22 Seunghun Lee , Jinyoung Park , Jaewon Chu , Minseo Yoon , Hyunwoo J. Kim

Large Language Models (LLMs) have demonstrated remarkable self-improvement capabilities, whereby models iteratively revise their outputs through self-generated feedback. While this reflective mechanism has shown promise in enhancing task…

Computation and Language · Computer Science 2025-04-07 Liangjie Huang , Dawei Li , Huan Liu , Lu Cheng

Large Language Models (LLMs) show promise for equation discovery, yet their outputs are highly sensitive to prompt phrasing, a phenomenon we term instruction brittleness. Static prompts cannot adapt to the evolving state of a multi-step…

Machine Learning · Computer Science 2026-01-05 Junqi Qu , Yan Zhang , Shangqian Gao , Shibo Li

Automatic prompt optimization is a promising approach for adapting large language models (LLMs) to downstream tasks, yet existing methods typically search for a specific prompt specialized to a fixed task. This paradigm limits…

Computation and Language · Computer Science 2026-03-24 Guanbao Liang , Yuanchen Bei , Sheng Zhou , Yuheng Qin , Huan Zhou , Bingxin Jia , Bin Li , Jiajun Bu

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…

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

Most research in Bayesian optimization (BO) has focused on \emph{direct feedback} scenarios, where one has access to exact values of some expensive-to-evaluate objective. This direction has been mainly driven by the use of BO in machine…

Machine Learning · Computer Science 2021-09-02 Eero Siivola , Akash Kumar Dhaka , Michael Riis Andersen , Javier Gonzalez , Pablo Garcia Moreno , Aki Vehtari

LLM-based prompt optimization, that uses LLM-provided "textual gradients" (feedback) to refine prompts, has emerged an effective method for automatic prompt engineering. However, its scalability and stability are unclear when using more…

Computation and Language · Computer Science 2025-11-19 Zixin Ding , Junyuan Hong , Zhan Shi , Jiachen T. Wang , Zinan Lin , Li Yin , Meng Liu , Zhangyang Wang , Yuxin Chen

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher