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Prompt engineering has proven to be a crucial step in leveraging pretrained large language models (LLMs) in solving various real-world tasks. Numerous solutions have been proposed that seek to automate prompt engineering by using the model…

Large Language Models (LLMs) have shown remarkable capabilities in code generation tasks, yet they face significant limitations in handling complex, long-context programming challenges and demonstrating complex compositional reasoning…

Artificial Intelligence · Computer Science 2025-01-14 Amr Almorsi , Mohanned Ahmed , Walid Gomaa

Large language models (LLMs) have demonstrated unparalleled prowess in mimicking human-like text generation and processing. Among the myriad of applications that benefit from LLMs, automated code generation is increasingly promising. The…

Software Engineering · Computer Science 2023-11-15 Lincoln Murr , Morgan Grainger , David Gao

Prompt engineering is crucial for achieving reliable and effective outputs from large language models (LLMs), but its design requires specialized knowledge of prompting techniques and a deep understanding of target tasks. To address this…

Computation and Language · Computer Science 2025-10-22 Yohei Ikenoue , Hitomi Tashiro , Shigeru Kuroyanagi

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) 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

We propose a general-purpose approach for improving the ability of large language models (LLMs) to intelligently and adaptively gather information from a user or other external source using the framework of sequential Bayesian experimental…

Computation and Language · Computer Science 2026-04-22 Deepro Choudhury , Sinead Williamson , Adam Goliński , Ning Miao , Freddie Bickford Smith , Michael Kirchhof , Yizhe Zhang , Tom Rainforth

This study investigates the reliability of code generation by Large Language Models (LLMs), focusing on identifying and analyzing defects in the generated code. Despite the advanced capabilities of LLMs in automating code generation,…

Software Engineering · Computer Science 2024-08-27 Ali Mohammadi Esfahani , Nafiseh Kahani , Samuel A. Ajila

This article develops a Bayesian optimization (BO) method which acts directly over raw strings, proposing the first uses of string kernels and genetic algorithms within BO loops. Recent applications of BO over strings have been hindered by…

Machine Learning · Computer Science 2020-10-05 Henry B. Moss , Daniel Beck , Javier Gonzalez , David S. Leslie , Paul Rayson

This paper studies how AI-assisted programming and large language models (LLM) improve software developers' ability via AI tools (LLM agents) like Github Copilot and Amazon CodeWhisperer, while integrating human feedback to enhance…

Artificial Intelligence · Computer Science 2025-03-20 Man Fai Wong , Chee Wei Tan

The use of Large Language Models (LLMs) for program code generation has gained substantial attention, but their biases and limitations with non-English prompts challenge global inclusivity. This paper investigates the complexities of…

Computation and Language · Computer Science 2025-05-13 Mingda Li , Abhijit Mishra , Utkarsh Mujumdar

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…

This paper investigates the performance of Large Language Models (LLMs) as generative optimizers for solving constrained multi-objective regression tasks, specifically within the challenging domain of inverse design (property-to-structure…

Machine Learning · Computer Science 2025-11-04 Muhammad Bilal Awan , Abdul Razzaq , Abdul Shahid

While code generation has been widely used in various software development scenarios, the quality of the generated code is not guaranteed. This has been a particular concern in the era of large language models (LLMs)- based code generation,…

Software Engineering · Computer Science 2023-10-11 Zhenlan Ji , Pingchuan Ma , Zongjie Li , Shuai Wang

Gaussian Process (GP) kernels are central to Bayesian optimization (BO), yet designing effective kernels for high-dimensional problems still relies on extensive manual engineering. Existing automated approaches struggle in high dimensions…

Machine Learning · Computer Science 2026-05-21 Taeyoung Yun , Woocheol Shin , Inhyuck Song , Jaewoo Lee , Jinkyoo Park

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

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

Prompt engineering is a challenging and important task due to the high sensitivity of Large Language Models (LLMs) to the given prompt and the inherent ambiguity of a textual task instruction. Automatic prompt engineering is essential to…

Computation and Language · Computer Science 2024-02-06 Elad Levi , Eli Brosh , Matan Friedmann

In the area of code generation research, the emphasis has transitioned from crafting individual functions to developing class-level method code that integrates contextual information. This shift has brought several benchmarks such as…

Software Engineering · Computer Science 2024-08-28 Zinan Wang

Optimal prompt selection is crucial for maximizing large language model (LLM) performance on downstream tasks, especially in black-box settings where models are only accessible via APIs. Black-box prompt selection is challenging due to…

Machine Learning · Computer Science 2025-06-04 Lennart Schneider , Martin Wistuba , Aaron Klein , Jacek Golebiowski , Giovanni Zappella , Felice Antonio Merra