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Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box…

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

Customized static operator design has enabled widespread application of Evolutionary Algorithms (EAs), but their search effectiveness often deteriorates as evolutionary progresses. Dynamic operator configuration approaches attempt to…

Neural and Evolutionary Computing · Computer Science 2026-01-23 Rongjie Liao , Junhao Qiu , Xin Chen , Xiaoping Li

Achieving high performance for GPU codes requires developers to have significant knowledge in parallel programming and GPU architectures, and in-depth understanding of the application. This combination makes it challenging to find…

Software Engineering · Computer Science 2022-08-29 Jhe-Yu Liou , Muaaz Awan , Steven Hofmeyr , Stephanie Forrest , Carole-Jean Wu

Graph-structured combinatorial problems in complex networks are prevalent in many domains, and are computationally demanding due to their complexity and non-linear nature. Traditional evolutionary algorithms (EAs), while robust, often face…

Neural and Evolutionary Computing · Computer Science 2025-09-16 Jie Zhao , Kang Hao Cheong

We introduce CodeEvolve, an open-source framework that couples large language models with island-based evolutionary search for end-to-end algorithmic discovery. CodeEvolve integrates inspiration-based crossover, meta-prompting, and…

Artificial Intelligence · Computer Science 2026-05-29 Henrique Assumpção , Diego Ferreira , Leandro Campos , Fabricio Murai

With the rapid development of natural language processing technology, large-scale language models (LLM) have achieved remarkable results in a variety of tasks. However, how to effectively train these huge models and improve their…

Artificial Intelligence · Computer Science 2024-12-09 Jiajing Chen , Bingying Liu , Xiaoxuan Liao , Jia Gao , Hongye Zheng , Yue Li

The digital transformation of automation places new demands on data acquisition and processing in industrial processes. Logical relationships between acquired data and cyclic process sequences must be correctly interpreted and evaluated. To…

Neural and Evolutionary Computing · Computer Science 2023-04-13 Marlon Löppenberg , Andreas Schwung

Feature transformation aims to reconstruct the feature space of raw features to enhance the performance of downstream models. However, the exponential growth in the combinations of features and operations poses a challenge, making it…

Machine Learning · Computer Science 2024-12-19 Nanxu Gong , Chandan K. Reddy , Wangyang Ying , Haifeng Chen , Yanjie Fu

Large Language Models (LLMs) exhibit world knowledge and inference capabilities, making them powerful tools for various applications. This paper proposes a feedback loop mechanism that leverages these capabilities to tune Evolution…

Machine Learning · Computer Science 2024-05-21 Oliver Kramer

Evolve-based agent such as AlphaEvolve is one of the notable successes in using Large Language Models (LLMs) to build AI Scientists. These agents tackle open-ended scientific problems by iteratively improving and evolving programs,…

Machine Learning · Computer Science 2026-03-31 Yongqiang Chen , Chenxi Liu , Zhenhao Chen , Tongliang Liu , Bo Han , Kun Zhang

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

Designing optimization approaches, whether heuristic or meta-heuristic, usually demands extensive manual intervention and has difficulty generalizing across diverse problem domains. The combination of Large Language Models (LLMs) and…

Neural and Evolutionary Computing · Computer Science 2024-10-29 He Yu , Jing Liu

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Loop transformations are semantics-preserving optimization techniques, widely used to maximize objectives such as parallelism. Despite decades of research, applying the optimal composition of loop transformations remains challenging due to…

Programming Languages · Computer Science 2025-12-19 Yijie Zhi , Yayu Cao , Jianhua Dai , Xiaoyang Han , Jingwen Pu , Qingran Wu , Sheng Cheng , Ming Cai

The discovery of symbolic solutions -- mathematical expressions, logical rules, and algorithmic structures -- is fundamental to advancing scientific and engineering progress. However, traditional methods often struggle with search…

Artificial Intelligence · Computer Science 2025-11-17 Ping Guo , Qingfu Zhang , Xi Lin

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

Evolutionary computation (EC), as a powerful optimization algorithm, has been applied across various domains. However, as the complexity of problems increases, the limitations of EC have become more apparent. The advent of large language…

Neural and Evolutionary Computing · Computer Science 2024-05-24 Jinyu Cai , Jinglue Xu , Jialong Li , Takuto Ymauchi , Hitoshi Iba , Kenji Tei

In traffic engineering, fixed-time traffic signal control remains widely used for its low cost, stability, and interpretability. However, its design relies on hand-crafted formulas (e.g., Webster) and manual re-timing by engineers to adapt…

Machine Learning · Computer Science 2026-04-23 Leizhen Wang , Peibo Duan , Hao Wang , Yue Wang , Jian Xu , Nan Zheng , Zhenliang Ma

Multi-objective evolutionary algorithms (MOEAs) are widely used for searching optimal solutions in complex multi-component applications. Traditional MOEAs for multi-component deep learning (MCDL) systems face challenges in enhancing the…

Neural and Evolutionary Computing · Computer Science 2025-06-12 Haoxiang Tian , Xingshuo Han , Guoquan Wu , An Guo , Yuan Zhou. Jie Zhang , Shuo Li , Jun Wei , Tianwei Zhang