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Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…

Materials Science · Physics 2026-02-26 Dong Hyeon Mok , Seoin Back , Victor Fung , Guoxiang Hu

Large Language Models (LLMs) have introduced a paradigm shift in interaction with AI technology, enabling knowledge workers to complete tasks by specifying their desired outcome in natural language. LLMs have the potential to increase…

Human-Computer Interaction · Computer Science 2025-03-24 Michelle Brachman , Amina El-Ashry , Casey Dugan , Werner Geyer

The advent of large language models marks a revolutionary breakthrough in artificial intelligence. With the unprecedented scale of training and model parameters, the capability of large language models has been dramatically improved,…

Information Retrieval · Computer Science 2025-01-16 Jin Chen , Zheng Liu , Xu Huang , Chenwang Wu , Qi Liu , Gangwei Jiang , Yuanhao Pu , Yuxuan Lei , Xiaolong Chen , Xingmei Wang , Defu Lian , Enhong Chen

The integration of large language models (LLMs) into supply chain management (SCM) is revolutionizing the industry by improving decision-making, predictive analytics, and operational efficiency. This white paper explores the transformative…

Computers and Society · Computer Science 2025-01-28 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Javad Vahidi , Zeynab Barzegar , Mahan Rofoosheh

This study analyzes the multiple functions of Large Language Models (LLMs) in transforming research and development (R&D) processes. By automating knowledge discovery, boosting hypothesis creation, integrating transdisciplinary insights,…

Computation and Language · Computer Science 2025-11-25 Raha Aghaei , Ali A. Kiaei , Mahnaz Boush , Mahan Rofoosheh , Mohammad Zavvar

Artificial intelligence (AI) technology has advanced rapidly in recent years, with large language models (LLMs) emerging as a significant breakthrough. LLMs are increasingly making an impact across various industries, with the medical field…

Artificial Intelligence · Computer Science 2025-09-24 Zhiyu Kan , Wensheng Gan , Zhenlian Qi , Philip S. Yu

The use of Large Language Models (LLMs) in hardware design has taken off in recent years, principally through its incorporation in tools that increase chip designer productivity. There has been considerable discussion about the use of LLMs…

Hardware Architecture · Computer Science 2025-05-20 Nicolas Dupuis , Ravi Nair , Shyam Ramji , Sean McClintock , Nishant Chauhan , Priyanka Nagpal , Bart Blaner , Ken Valk , Leon Stok , Ruchir Puri

Large language models (LLMs) have exhibited exceptional capabilities in natural language understanding and generation, image recognition, and multimodal tasks, charting a course towards AGI and emerging as a central issue in the global…

Computation and Language · Computer Science 2025-11-20 Guoqiang Liang , Jingqian Gong , Mengxuan Li , Gege Lin , Shuo Zhang

While the Water-Gas Shift (WGS) reaction plays a crucial role in hydrogen production for fuel cells, finding suitable catalysts to achieve high yields for low-temperature WGS reactions remains a persistent challenge. Artificial Intelligence…

Computation and Language · Computer Science 2025-03-10 Joyjit Chattoraj , Brahim Hamadicharef , Teo Shi Chang , Yingzhi Zeng , Chee Kok Poh , Luwei Chen , Teck Leong Tan

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

This paper investigates the utilization of Large Language Models (LLMs) for solving complex linguistic puzzles, a domain requiring advanced reasoning and adept translation capabilities akin to human cognitive processes. We explore specific…

Computation and Language · Computer Science 2025-02-04 Zheng-Lin Lin , Yu-Fei Shih , Shu-Kai Hsieh

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

As the application of large language models in various fields continues to expand, materials science also ushers in opportunities for AI-driven innovation. The traditional way of relying on manual search for materials science-related…

Artificial Intelligence · Computer Science 2024-11-14 Chao Huang , Huichen Xiao , Chen Chen , Chunyan Chen , Yi Zhao , Shiyu Du , Yiming Zhang , He Sha , Ruixin Gu

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

Recent advancements in Large Language Models (LLMs), particularly those built on Transformer architectures, have significantly broadened the scope of natural language processing (NLP) applications, transcending their initial use in chatbot…

Computation and Language · Computer Science 2024-05-29 Chen Wang , Jin Zhao , Jiaqi Gong

Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…

Machine Learning · Computer Science 2024-12-30 Yang Gu , Hengyu You , Jian Cao , Muran Yu , Haoran Fan , Shiyou Qian

Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence (AI), exhibiting remarkable capabilities across diverse tasks such as text generation, reasoning, and decision-making. While their success has…

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

Language has long been conceived as an essential tool for human reasoning. The breakthrough of Large Language Models (LLMs) has sparked significant research interest in leveraging these models to tackle complex reasoning tasks. Researchers…