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GA LLM is a hybrid framework that combines Genetic Algorithms with Large Language Models to handle structured generation tasks under strict constraints. Each output, such as a plan or report, is treated as a gene, and evolutionary…

Computation and Language · Computer Science 2025-06-17 William Shum , Rachel Chan , Jonas Lin , Benny Feng , Patrick Lau

Evolutionary model merging provides a powerful framework for the automated, training-free composition of LLMs through parameter-space search. However, existing methods predominantly rely on stochastic, hand-crafted operators that overlook…

Neural and Evolutionary Computing · Computer Science 2026-05-29 Tao Jiang , Xinmeng Yu , Chenhao Yi , Yiling Wu , Yan Li , Ran Cheng , Dongmei Jiang , Jianguo Zhang

Crystal structure generation is fundamental to materials science, enabling the discovery of novel materials with desired properties. While existing approaches leverage Large Language Models (LLMs) through extensive fine-tuning on materials…

Combinatorial optimization (CO) is essential for improving efficiency and performance in engineering applications. As complexity increases with larger problem sizes and more intricate dependencies, identifying the optimal solution become…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 Shuo Jiang , Min Xie , Jianxi Luo

Recent advancements in generative artificial intelligence (AI) have demonstrated its substantial potential in various fields. However, its application in port logistics remains underexplored. Ports are complex operational environments where…

Computational Engineering, Finance, and Science · Computer Science 2026-02-25 Minseop Kim , Jaeeun Kwon , Hanbyeol Park , Kikun Park , Taekhyun Park , Hyerim Bae

Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolutionary algorithms often get trapped in local optima, while…

Machine Learning · Computer Science 2025-10-09 Nian Ran , Zhongzheng Li , Yue Wang , Qingsong Ran , Xiaoyuan Zhang , Shikun Feng , Richard Allmendinger , Xiaoguang Zhao

Large language models (LLMs) are having transformative impacts across a wide range of scientific fields, particularly in the biomedical sciences. Just as the goal of Natural Language Processing is to understand sequences of words, a major…

Genomics · Quantitative Biology 2024-09-24 Gonzalo Benegas , Chengzhong Ye , Carlos Albors , Jianan Canal Li , Yun S. Song

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Although traditional statistical techniques and machine learning methods have contributed significantly to genetics and, in particular, inherited disease diagnosis, they often struggle with complex, high-dimensional data, a challenge now…

Machine Learning · Computer Science 2025-08-29 Anton Changalidis , Yury Barbitoff , Yulia Nasykhova , Andrey Glotov

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

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

We study how large language models can be used in combination with evolutionary computation techniques to automatically discover optimization algorithms for the design of photonic structures. Building on the Large Language Model…

Neural and Evolutionary Computing · Computer Science 2025-03-26 Haoran Yin , Anna V. Kononova , Thomas Bäck , Niki van Stein

Large language models (LLMs) have become increasingly capable, but their development often requires substantial computational resources. While model merging has emerged as a cost-effective promising approach for creating new models by…

Neural and Evolutionary Computing · Computer Science 2025-01-28 Takuya Akiba , Makoto Shing , Yujin Tang , Qi Sun , David Ha

Large language models (LLMs) have taken the scientific world by storm, changing the landscape of natural language processing and human-computer interaction. These powerful tools can answer complex questions and, surprisingly, perform…

Artificial Intelligence · Computer Science 2023-11-14 Pier Luca Lanzi , Daniele Loiacono

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Large Language Models (LLMs) have demonstrated great promise in generating code, especially when used inside an evolutionary computation framework to iteratively optimize the generated algorithms. However, in some cases they fail to…

Neural and Evolutionary Computing · Computer Science 2025-03-24 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

Automated algorithm discovery in scientific computing faces fundamental challenges: vast design spaces with expensive evaluations, domain-specific physical constraints requiring expert knowledge, and the necessity for interpretable…

Artificial Intelligence · Computer Science 2025-11-18 He Wang , Liang Zeng

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

Operations research (OR) is a core methodology that supports complex system decision-making, with broad applications in transportation, supply chain management, and production scheduling. However, traditional approaches that rely on…

Artificial Intelligence · Computer Science 2025-10-15 Yang Wang , Kai Li