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Large language models (LLMs) have been widely adopted in mathematical optimization in scientific scenarios for their extensive knowledge and advanced reasoning capabilities. Existing methods mainly focus on utilizing LLMs to solve…

Optimization and Control · Mathematics 2025-03-18 Qitan Lv , Tianyu Liu , Hong Wang

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on…

Artificial Intelligence · Computer Science 2026-02-25 Shangheng Du , Jiabao Zhao , Jinxin Shi , Zhentao Xie , Xin Jiang , Yanhong Bai , Liang He

Large Language Models (LLMs), originally developed for natural language processing (NLP), have demonstrated the potential to generalize across modalities and domains. With their in-context learning (ICL) capabilities, LLMs can perform…

Artificial Intelligence · Computer Science 2025-08-26 Nikolaos Pavlidis , Vasilis Perifanis , Symeon Symeonidis , Pavlos S. Efraimidis

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Autonomous vehicle navigation in complex environments such as dense and fast-moving highways and merging scenarios remains an active area of research. A key limitation of RL is its reliance on well-specified reward functions, which often…

Machine Learning · Computer Science 2025-11-18 Timur Anvar , Jeffrey Chen , Yuyan Wang , Rohan Chandra

The exponential growth of text-based data in domains such as healthcare, education, and social sciences has outpaced the capacity of traditional qualitative analysis methods, which are time-intensive and prone to subjectivity. Large…

Large Language Models (LLMs) have achieved remarkable success across a wide range of natural language tasks, and recent efforts have sought to extend their capabilities to multimodal domains and resource-constrained environments. However,…

Machine Learning · Computer Science 2025-05-26 Yun-Da Tsai

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Prevailing large language models (LLMs) are capable of human responses simulation through its unprecedented content generation and reasoning abilities. However, it is not clear whether and how to leverage LLMs to simulate field experiments.…

Artificial Intelligence · Computer Science 2024-08-20 Yaoyu Chen , Yuheng Hu , Yingda Lu

Large Language models (LLMs) have shown promise as generators of symbolic control policies, producing interpretable program-like representations through iterative search. However, these models are not capable of separating the functional…

Machine Learning · Computer Science 2025-10-02 Carlo Bosio , Matteo Guarrera , Alberto Sangiovanni-Vincentelli , Mark W. Mueller

State of the art large language models (LLMs) have shown impressive performance on a variety of benchmark tasks and are increasingly used as components in larger applications, where LLM-based predictions serve as proxies for human…

Computation and Language · Computer Science 2024-06-14 Michael Franke , Polina Tsvilodub , Fausto Carcassi

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Computational social experiments, which typically employ agent-based modeling to create testbeds for piloting social experiments, not only provide a computational solution to the major challenges faced by traditional experimental methods,…

Computers and Society · Computer Science 2025-08-13 Jinghua Piao , Yuwei Yan , Nian Li , Jun Zhang , Yong Li

Aligning large language models (LLMs) with human values is a vital task for LLM practitioners. Current alignment techniques have several limitations: (1) requiring a large amount of annotated data; (2) demanding heavy human involvement; (3)…

Computation and Language · Computer Science 2024-01-17 Hongyi Guo , Yuanshun Yao , Wei Shen , Jiaheng Wei , Xiaoying Zhang , Zhaoran Wang , Yang Liu

Large language models (LLMs) are powerful artificial intelligence (AI) tools transforming how research is conducted. However, their use in research has been met with skepticism, due to concerns about hallucinations, biases and potential…

Artificial Intelligence · Computer Science 2025-07-08 Ruian Ke , Ruy M. Ribeiro

Large language models (LLMs) have demonstrated unprecedented emergent capabilities, including content generation, translation, and simulation of human behavior. Field experiments, on the other hand, are widely employed in social studies to…

Computers and Society · Computer Science 2025-05-22 Yaoyu Chen , Yuheng Hu , Yingda Lu

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

There has been a growing interest in developing learner models to enhance learning and teaching experiences in educational environments. However, existing works have primarily focused on structured environments relying on meticulously…

Machine Learning · Computer Science 2024-05-01 Bahar Radmehr , Adish Singla , Tanja Käser

Objective: To demonstrate the capabilities of Large Language Models (LLMs) as autonomous agents to reproduce findings of published research studies using the same or similar dataset. Materials and Methods: We used the "Quick Access" dataset…

Computation and Language · Computer Science 2025-06-02 Nic Dobbins , Christelle Xiong , Kristine Lan , Meliha Yetisgen
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