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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 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

Many real-world optimization problems consist of multiple tightly coupled subproblems whose solutions must be coordinated to achieve high overall performance. However, existing large language model driven automated heuristic design…

Neural and Evolutionary Computing · Computer Science 2026-05-08 Thomas Bömer , Bastian Amberg , Max Disselnmeyer , Anne Meyer

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

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

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

Discovering efficient algorithms for solving complex problems has been an outstanding challenge in mathematics and computer science, requiring substantial human expertise over the years. Recent advancements in evolutionary search with large…

Artificial Intelligence · Computer Science 2026-05-26 Anja Surina , Amin Mansouri , Lars Quaedvlieg , Amal Seddas , Maryna Viazovska , Emmanuel Abbe , Caglar Gulcehre

Large Language Models (LLMs) exhibit strong mathematical reasoning when trained on high-quality Chain-of-Thought (CoT) that articulates intermediate steps, yet costly CoT curation hinders further progress. While existing remedies such as…

Artificial Intelligence · Computer Science 2026-04-17 Zhuo Wang , Zhuo Zhang , Yafu Li , Yu Cheng , Lizhen Qu , Zenglin Xu

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

Large Language Models (LLMs) have recently advanced many applications on software engineering tasks, particularly the potential for code generation. Among contemporary challenges, code generated by LLMs often suffers from inaccuracies and…

Software Engineering · Computer Science 2024-08-29 Thai Tang Quoc , Duc Ha Minh , Tho Quan Thanh , Anh Nguyen-Duc

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large…

Neural and Evolutionary Computing · Computer Science 2024-10-15 Haoran Ye , Jiarui Wang , Zhiguang Cao , Federico Berto , Chuanbo Hua , Haeyeon Kim , Jinkyoo Park , Guojie Song

AlphaEvolve (Novikov et al., 2025) is a generic evolutionary coding agent that combines the generative capabilities of LLMs with automated evaluation in an iterative evolutionary framework that proposes, tests, and refines algorithmic…

Neural and Evolutionary Computing · Computer Science 2025-12-23 Bogdan Georgiev , Javier Gómez-Serrano , Terence Tao , Adam Zsolt Wagner

Despite deep learning's success in chemistry, its impact is hindered by a lack of interpretability and an inability to resolve activity cliffs, where minor structural nuances trigger drastic property shifts. Current representation learning,…

Machine Learning · Computer Science 2026-03-26 Xiangsen Chen , Ruilong Wu , Yanyan Lan , Ting Ma , Yang Liu

Code evolution is inevitable in modern software development. Changes to third-party APIs frequently break existing code and complicate maintenance, posing practical challenges for developers. While large language models (LLMs) have shown…

Software Engineering · Computer Science 2026-03-10 Jiazhen Kang , Yuchen Lu , Chen Jiang , Jinrui Liu , Tianhao Zhang , Bo Jiang , Ningyuan Sun , Tongtong Wu , Guilin Qi

Large Reasoning Models (LRMs) achieve strong performance on complex reasoning tasks by generating long Chains of Thought (CoTs). However, this paradigm might incur substantial token overhead, especially when models "overthink" by producing…

Artificial Intelligence · Computer Science 2025-12-04 Zhiyuan He , Dingmin Wang

Large Language Models (LLMs) have shown human-like reasoning abilities but still struggle with complex logical problems. This paper introduces a novel framework, Logic-LM, which integrates LLMs with symbolic solvers to improve logical…

Computation and Language · Computer Science 2023-10-20 Liangming Pan , Alon Albalak , Xinyi Wang , William Yang Wang

Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a…

Machine Learning · Computer Science 2026-02-09 Yingming Pu , Tao Lin , Hongyu Chen

As the complexity of System-on-Chip (SoC) designs grows, the shift-left paradigm necessitates the rapid development of high-fidelity reference models (typically written in SystemC) for early architecture exploration and verification. While…

Software Engineering · Computer Science 2026-04-28 Yifan Zhang , Jianmin Ye , Jiahao Yang , Xi Wang

While chain-of-thought (CoT) distillation from advanced large language models (LLMs) has proven effective in general reasoning tasks, it struggles in scientific domains where even advanced models often produce incorrect or superficial…

Computation and Language · Computer Science 2025-10-17 Kehua Feng , Keyan Ding , Zhihui Zhu , Lei Liang , Qiang Zhang , Huajun Chen

Large language models (LLMs) have greatly accelerated the automation of algorithm generation and optimization. However, current methods such as EoH and FunSearch mainly rely on predefined templates and expert-specified functions that focus…

Software Engineering · Computer Science 2025-03-17 Zhe Zhao , Haibin Wen , Pengkun Wang , Ye Wei , Zaixi Zhang , Xi Lin , Fei Liu , Bo An , Hui Xiong , Yang Wang , Qingfu Zhang
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