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Since the advent of large language models (LLMs), prompt engineering has been a crucial step for eliciting desired responses for various Natural Language Processing (NLP) tasks. However, prompt engineering remains an impediment for end…

Preference optimization (PO) is indispensable for large language models (LLMs), with methods such as direct preference optimization (DPO) and proximal policy optimization (PPO) achieving great success. A common belief is that DPO is…

Machine Learning · Computer Science 2026-05-18 Yue Wang , Qizhou Wang , Zizhuo Zhang , Gang Niu , Bo Han , Masashi Sugiyama

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

Bayesian optimization (BO) is a popular, sample-efficient technique for expensive, black-box optimization. One such problem arising in manufacturing is that of maximizing the reliability, or equivalently minimizing the probability of a…

Machine Learning · Computer Science 2026-02-03 Jack M. Buckingham , Ivo Couckuyt , Juergen Branke

Large language models (LLMs) have significantly advanced natural language processing, excelling in areas like text generation, summarization, and question-answering. Despite their capabilities, these models face challenges when fine-tuned…

Computation and Language · Computer Science 2024-12-23 Ali Hamdi , Hozaifa Kassab , Mohamed Bahaa , Marwa Mohamed

Bayesian Optimization (BO) is a technique for sample-efficient black-box optimization that employs probabilistic models to identify promising input locations for evaluation. When dealing with composite-structured functions, such as f=g o h,…

Machine Learning · Computer Science 2024-07-11 Natalie Maus , Zhiyuan Jerry Lin , Maximilian Balandat , Eytan Bakshy

Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of…

Machine Learning · Computer Science 2024-07-09 Pallavi Mitra , Felix Biessmann

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

Machine Learning · Computer Science 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei

Although large language models (LLMs) have shown promise in biomolecule optimization problems, they incur heavy computational costs and struggle to satisfy precise constraints. On the other hand, specialized solvers like LaMBO-2 offer…

Bayesian optimization over the latent spaces of deep autoencoder models (DAEs) has recently emerged as a promising new approach for optimizing challenging black-box functions over structured, discrete, hard-to-enumerate search spaces (e.g.,…

Machine Learning · Computer Science 2023-02-24 Natalie Maus , Haydn T. Jones , Juston S. Moore , Matt J. Kusner , John Bradshaw , Jacob R. Gardner

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

Bayesian optimisation (BO) is a well-known efficient algorithm for finding the global optimum of expensive, black-box functions. The current practical BO algorithms have regret bounds ranging from $\mathcal{O}(\frac{logN}{\sqrt{N}})$ to…

Machine Learning · Computer Science 2026-04-28 Hung Tran-The , Sunil Gupta , Santu Rana , Svetha Venkatesh

State of the art large language models (LLMs) have shown impressive performance on a variety of benchmark tasks and are increasingly used as components in larger applications, where LLM-based predictions serve as proxies for human…

Computation and Language · Computer Science 2024-06-14 Michael Franke , Polina Tsvilodub , Fausto Carcassi

Bayesian optimization (BO) with Gaussian processes (GP) has become an indispensable algorithm for black box optimization problems. Not without a dash of irony, BO is often considered a black box itself, lacking ways to provide reasons as to…

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

Large Language Model (LLM)-based optimization has recently shown promise for autonomous problem solving, yet most approaches still cast LLMs as passive constraint checkers rather than proactive strategy designers, limiting their…

Artificial Intelligence · Computer Science 2026-04-06 Beidan Liu , Zhengqiu Zhu , Chen Gao , Tianle Pu , Yong Zhao , Wei Qi , Quanjun Yin

The popularity of Bayesian Optimization (BO) to automate or support the commissioning of engineering systems is rising. Conventional BO, however, relies on the availability of a scalar objective function. The latter is often difficult to…

Systems and Control · Electrical Eng. & Systems 2025-12-02 Sander De Witte , Jeroen Taets , Andras Retzler , Guillaume Crevecoeur , Tom Lefebvre

Large Language Models (LLMs) excel at understanding natural language but struggle with optimisation tasks involving multiple constraints and user-defined preferences, which commonly arise in domains such as robotics. We propose a hybrid…

Artificial Intelligence · Computer Science 2026-05-29 Pedro Orvalho , Marta Kwiatkowska , Guillem Alenyà , Felip Manyà

Reinforcement learning in large language models (LLMs) often relies on scalar rewards, a practice that discards valuable textual rationale buried in the rollouts, forcing the model to explore \textit{de novo} with each attempt and hindering…

Machine Learning · Computer Science 2025-10-21 Ang Li , Yifei Wang , Zhihang Yuan , Stefanie Jegelka , Yisen Wang

Bayesian optimization (BO) methods are useful for optimizing functions that are expensive to evaluate, lack an analytical expression and whose evaluations can be contaminated by noise. These methods rely on a probabilistic model of the…

Machine Learning · Statistics 2020-02-04 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato