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The ability of Large Language Models (LLMs) to generate high-quality text and code has fuelled their rise in popularity. In this paper, we aim to demonstrate the potential of LLMs within the realm of optimization algorithms by integrating…

Artificial Intelligence · Computer Science 2024-02-14 Camilo Chacón Sartori , Christian Blum , Gabriela Ochoa

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

Large language models (LLMs) have recently shown strong reasoning capabilities beyond traditional language tasks, motivating their use for numerical optimization. This paper presents LLMize, an open-source Python framework that enables…

Machine Learning · Computer Science 2026-01-06 M. Rizki Oktavian

Large Language Models (LLMs) have demonstrated their remarkable capabilities in numerous fields. This survey focuses on how LLMs empower users, regardless of their technical background, to use human languages to automatically generate…

Software Engineering · Computer Science 2025-04-03 Nam Huynh , Beiyu Lin

Large language models (LLMs) have already revolutionized code generation, after being pretrained on publicly available code data. However, while various methods have been proposed to augment LLMs with retrieved knowledge and enhance the…

Computation and Language · Computer Science 2023-06-06 Shuyang Jiang , Yuhao Wang , Yu Wang

Despite the remarkable code generation abilities of large language models LLMs, they still face challenges in complex task handling. Robot development, a highly intricate field, inherently demands human involvement in task allocation and…

Robotics · Computer Science 2024-02-19 Zhirong Luan , Yujun Lai , Rundong Huang , Xiaruiqi Lan , Liangjun Chen , Badong Chen

Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess the capability for zero-shot optimization across diverse…

Large Language Models (LLMs) have shown remarkable performance in automated code generation. However, existing approaches often rely heavily on pre-defined test cases, which become impractical in scenarios where such cases are unavailable.…

Software Engineering · Computer Science 2025-07-28 Kefan Li , Yuan Yuan , Hongyue Yu , Tingyu Guo , Shijie Cao

Large language models (LLMs) have demonstrated strong reasoning and tool-use capabilities, yet they often fail in real-world tool-interactions due to incorrect parameterization, poor tool selection, or misinterpretation of user intent.…

Artificial Intelligence · Computer Science 2025-09-23 Hy Dang , Tianyi Liu , Zhuofeng Wu , Jingfeng Yang , Haoming Jiang , Tao Yang , Pei Chen , Zhengyang Wang , Helen Wang , Huasheng Li , Bing Yin , Meng Jiang

Over the last few decades, researchers have made considerable efforts to make decision support more accessible for small and medium enterprises by reducing the cost of designing, developing and maintaining automated decision support…

Software Engineering · Computer Science 2025-04-07 Daniel Karapetyan

Tensor networks are efficient for extremely high-dimensional representation, but their model selection, known as tensor network structure search (TN-SS), is a challenging problem. Although several works have targeted TN-SS, most existing…

Machine Learning · Computer Science 2024-06-04 Junhua Zeng , Chao Li , Zhun Sun , Qibin Zhao , Guoxu Zhou

Hyperparameter optimization is a crucial problem in Evolutionary Computation. In fact, the values of the hyperparameters directly impact the trajectory taken by the optimization process, and their choice requires extensive reasoning by…

Neural and Evolutionary Computing · Computer Science 2024-08-06 Leonardo Lucio Custode , Fabio Caraffini , Anil Yaman , Giovanni Iacca

Large Language Models (LLMs) have shown strong capabilities in language understanding and reasoning across diverse domains. Recently, there has been increasing interest in utilizing LLMs not merely as assistants in optimization tasks, but…

Neural and Evolutionary Computing · Computer Science 2025-10-10 Jie Zhao , Tao Wen , Kang Hao Cheong

Large Language Models (LLMs) have significantly advanced artificial intelligence by optimizing traditional Natural Language Processing (NLP) workflows, facilitating their integration into various systems. Many such NLP systems, including…

Computation and Language · Computer Science 2025-05-13 Jiliang Ni , Jiachen Pu , Zhongyi Yang , Kun Zhou , Hui Wang , Xiaoliang Xiao , Dakui Wang , Xin Li , Jingfeng Luo , Conggang Hu

Large language models (LLMs) are increasingly used to automate feature engineering in tabular learning. Given task-specific information, LLMs can propose diverse feature transformation operations to enhance downstream model performance.…

Machine Learning · Computer Science 2026-01-30 Zhuoyan Li , Aditya Bansal , Jinzhao Li , Shishuang He , Zhuoran Lu , Mutian Zhang , Qin Liu , Yiwei Yang , Swati Jain , Ming Yin , Yunyao Li

Large Language Models (LLMs) have advanced Automated Heuristic Design (AHD) in combinatorial optimization (CO) in the past few years. However, existing discovery pipelines often require extensive manual trial-and-error or reliance on domain…

Neural and Evolutionary Computing · Computer Science 2026-02-19 Mingxin Yu , Ruixiao Yang , Chuchu Fan

Large Language Models (LLMs) have become extremely potent instruments with exceptional capacities for comprehending and producing human-like text in a wide range of applications. However, the increasing size and complexity of LLMs present…

Machine Learning · Computer Science 2024-06-18 Yingbing Huang , Lily Jiaxin Wan , Hanchen Ye , Manvi Jha , Jinghua Wang , Yuhong Li , Xiaofan Zhang , Deming Chen

Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional genetic algorithms (GAs) are commonly used, employing…

Chemical Physics · Physics 2024-10-25 Jieyu Lu , Zhangde Song , Qiyuan Zhao , Yuanqi Du , Yirui Cao , Haojun Jia , Chenru Duan

The rapid development of large language models (LLMs) has significantly transformed the field of artificial intelligence, demonstrating remarkable capabilities in natural language processing and moving towards multi-modal functionality.…

Large Language Models (LLMs) have revolutionized human-AI interaction by enabling intuitive task execution through natural language prompts. Despite their potential, designing effective prompts remains a significant challenge, as small…

Software Engineering · Computer Science 2025-04-08 Yuetian Mao , Junjie He , Chunyang Chen