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This paper explores the seamless integration of Generative AI (GenAI) and Evolutionary Algorithms (EAs) within the domain of large-scale multi-objective optimization. Focusing on the transformative role of Large Language Models (LLMs), our…

Neural and Evolutionary Computing · Computer Science 2024-05-14 Gaurav Singh , Kavitesh Kumar Bali

Optimization algorithms are widely employed to tackle complex problems, but designing them manually is often labor-intensive and requires significant expertise. Global placement is a fundamental step in electronic design automation (EDA).…

Neural and Evolutionary Computing · Computer Science 2025-04-28 Xufeng Yao , Jiaxi Jiang , Yuxuan Zhao , Peiyu Liao , Yibo Lin , Bei Yu

Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are…

Machine Learning · Computer Science 2025-02-12 Yang Li

Discovering the governing equations of dynamical systems is a central problem across many scientific disciplines. As experimental data become increasingly available, automated equation discovery methods offer a promising data-driven…

Machine Learning · Computer Science 2026-04-07 Amirmohammad Ziaei Bideh , Jonathan Gryak

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

Large Language Model (LLM)-guided evolutionary search is increasingly used for automated algorithm discovery, yet most current methods track search progress primarily through executable programs and scalar fitness. Even when…

Computation and Language · Computer Science 2026-05-11 Sichun Luo , Yi Huang , Haochen Luo , Fengyuan Liu , Guanzhi Deng , Lei Li , Qinghua Yao , Zefa Hu , Junlan Feng , Qi Liu

Designing optimal prompts and reasoning processes for large language models (LLMs) on domain-specific tasks is both necessary and challenging in real-world applications. Determining how to integrate domain knowledge, enhance reasoning…

Artificial Intelligence · Computer Science 2025-10-27 Yang Zhao , Pu Wang , Hao Frank Yang

The advent of Large Language Models (LLMs) has opened new frontiers in automated algorithm design, giving rise to numerous powerful methods. However, these approaches retain critical limitations: they require extensive evaluation of the…

Neural and Evolutionary Computing · Computer Science 2026-02-05 Haoran Yin , Shuaiqun Pan , Zhao Wei , Jian Cheng Wong , Yew-Soon Ong , Anna V. Kononova , Thomas Bäck , Niki van Stein

Recently, test-time scaling has garnered significant attention from the research community, largely due to the substantial advancements of the o1 model released by OpenAI. By allocating more computational resources during the inference…

Large Language Models (LLMs) have unveiled remarkable capabilities in understanding and generating both natural language and code, but LLM reasoning is prone to hallucination and struggle with complex, novel scenarios, often getting stuck…

Neural and Evolutionary Computing · Computer Science 2025-05-12 Antonio Jimeno Yepes , Pieter Barnard

Large language models (LLMs) provide powerful means to leverage prior knowledge for predictive modeling when data is limited. In this work, we demonstrate how LLMs can use their compressed world knowledge to generate intrinsically…

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, with their performance heavily dependent on the quality of input prompts. While prompt engineering has proven effective, it typically relies on…

Neural and Evolutionary Computing · Computer Science 2025-04-17 Xavier Sécheresse , Jacques-Yves Guilbert--Ly , Antoine Villedieu de Torcy

LLM-based agents for machine learning engineering (MLE) predominantly rely on tree search, a form of gradient-free optimization that uses scalar validation scores to rank candidates. As LLM reasoning capabilities improve, exhaustive…

Machine Learning · Computer Science 2026-04-14 Yifei Zhang , Xu Yang , Xiao Yang , Bowen Xian , Qizheng Li , Shikai Fang , Jingyuan Li , Jian Wang , Mingrui Xu , Weiqing Liu , Jiang Bian

Optimizing scientific computing algorithms for modern GPUs is a labor-intensive and iterative process involving repeated code modification, benchmarking, and tuning across complex hardware and software stacks. Recent work has explored large…

Artificial Intelligence · Computer Science 2026-01-22 Leyi Zhao , Weijie Huang , Yitong Guo , Jiang Bian , Chenghong Wang , Xuhong Zhang

Evolutionary algorithms excel in solving complex optimization problems, especially those with multiple objectives. However, their stochastic nature can sometimes hinder rapid convergence to the global optima, particularly in scenarios…

Neural and Evolutionary Computing · Computer Science 2024-05-10 Zeyi Wang , Songbai Liu , Jianyong Chen , Kay Chen Tan

Large Language Models (LLMs) have demonstrated remarkable in-context learning capabilities, enabling flexible utilization of limited historical information to play pivotal roles in reasoning, problem-solving, and complex pattern recognition…

Machine Learning · Computer Science 2025-03-31 Zhonglin Jiang , Qian Tang , Zequn Wang

Alignment of large language models (LLMs) with human preferences typically relies on supervised reward models or external judges that demand abundant annotations. However, in fields that rely on professional knowledge, such as medicine and…

Artificial Intelligence · Computer Science 2025-11-18 Yiyang Zhao , Huiyu Bai , Xuejiao Zhao

Large Language Models (LLMs) have demonstrated remarkable improvements in reasoning and planning through increased test-time compute, often by framing problem-solving as a search process. While methods like Monte Carlo Tree Search (MCTS)…

Artificial Intelligence · Computer Science 2025-06-06 Nathan Herr , Tim Rocktäschel , Roberta Raileanu

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…

Object search in large-scale, unstructured environments remains a fundamental challenge in robotics, particularly in dynamic or expansive settings such as outdoor autonomous exploration. This task requires robust spatial reasoning and the…

Robotics · Computer Science 2025-05-29 Lanxiang Zheng , Ruidong Mei , Mingxin Wei , Hao Ren , Hui Cheng
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