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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

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

Unit testing is a fundamental practice in modern software engineering, with the aim of ensuring the correctness, maintainability, and reliability of individual software components. Very recently, with the advances in Large Language Models…

Software Engineering · Computer Science 2025-06-19 Quanjun Zhang , Chunrong Fang , Siqi Gu , Ye Shang , Zhenyu Chen , Liang Xiao

Natural Language Processing (NLP) is witnessing a remarkable breakthrough driven by the success of Large Language Models (LLMs). LLMs have gained significant attention across academia and industry for their versatile applications in text…

Computation and Language · Computer Science 2024-04-16 Taojun Hu , Xiao-Hua Zhou

The prediction of amyloidogenicity in peptides and proteins remains a focal point of ongoing bioinformatics. The crucial step in this field is to apply advanced computational methodologies. Many recent approaches to predicting…

Machine Learning · Computer Science 2025-08-19 Zohra Yagoub , Hafida Bouziane

Large Language Models (LLMs) offer the potential for automatic time series analysis and reporting, which is a critical task across many domains, spanning healthcare, finance, climate, energy, and many more. In this paper, we propose a…

Computation and Language · Computer Science 2024-10-10 Elizabeth Fons , Rachneet Kaur , Soham Palande , Zhen Zeng , Tucker Balch , Manuela Veloso , Svitlana Vyetrenko

Large Language Models (LLMs) have drawn widespread attention and research due to their astounding performance in text generation and reasoning tasks. Derivative products, like ChatGPT, have been extensively deployed and highly sought after.…

Software Engineering · Computer Science 2024-12-11 Zibin Zheng , Kaiwen Ning , Qingyuan Zhong , Jiachi Chen , Wenqing Chen , Lianghong Guo , Weicheng Wang , Yanlin Wang

Automatic disease diagnosis has become increasingly valuable in clinical practice. The advent of large language models (LLMs) has catalyzed a paradigm shift in artificial intelligence, with growing evidence supporting the efficacy of LLMs…

Large Language Models (LLMs) have demonstrated extraordinary capabilities and contributed to multiple fields, such as generating and summarizing text, language translation, and question-answering. Nowadays, LLM is becoming a very popular…

Computation and Language · Computer Science 2024-11-18 Badhan Chandra Das , M. Hadi Amini , Yanzhao Wu

The application of large language models (LLMs) in healthcare has gained significant attention due to their ability to process complex medical data and provide insights for clinical decision-making. These models have demonstrated…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Amna Khalid , Ayma Khalid , Umar Khalid

Large Language Models (LLMs) have significantly impacted numerous domains, including Software Engineering (SE). Many recent publications have explored LLMs applied to various SE tasks. Nevertheless, a comprehensive understanding of the…

Software Engineering · Computer Science 2024-04-11 Xinyi Hou , Yanjie Zhao , Yue Liu , Zhou Yang , Kailong Wang , Li Li , Xiapu Luo , David Lo , John Grundy , Haoyu Wang

Multilingual Large Language Models are capable of using powerful Large Language Models to handle and respond to queries in multiple languages, which achieves remarkable success in multilingual natural language processing tasks. Despite…

Computation and Language · Computer Science 2024-04-09 Libo Qin , Qiguang Chen , Yuhang Zhou , Zhi Chen , Yinghui Li , Lizi Liao , Min Li , Wanxiang Che , Philip S. Yu

While large language models (LLMs) have demonstrated strong capability in structured prediction tasks such as semantic parsing, few amounts of research have explored the underlying mechanisms of their success. Our work studies different…

Computation and Language · Computer Science 2023-02-01 Daking Rai , Yilun Zhou , Bailin Wang , Ziyu Yao

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…

Recently, Large Language Models (LLM) have demonstrated impressive capability to solve a wide range of tasks. However, despite their success across various tasks, no prior work has investigated their capability in the biomedical domain yet.…

Computation and Language · Computer Science 2024-02-21 Israt Jahan , Md Tahmid Rahman Laskar , Chun Peng , Jimmy Huang

Large Language Models (LLMs) have transformed natural language processing tasks successfully. Yet, their large size and high computational needs pose challenges for practical use, especially in resource-limited settings. Model compression…

Computation and Language · Computer Science 2024-07-31 Xunyu Zhu , Jian Li , Yong Liu , Can Ma , Weiping Wang

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 advances in large language models (LLMs) have sparked growing interest in integrating language-driven techniques into trajectory prediction. By leveraging their semantic and reasoning capabilities, LLMs are reshaping how autonomous…

Computation and Language · Computer Science 2025-10-08 Yi Xu , Ruining Yang , Yitian Zhang , Jianglin Lu , Mingyuan Zhang , Yizhou Wang , Lili Su , Yun Fu

Large language models (LLMs) have demonstrated significant potential in the realm of natural language understanding and programming code processing tasks. Their capacity to comprehend and generate human-like code has spurred research into…

Software Engineering · Computer Science 2024-03-07 Chongzhou Fang , Ning Miao , Shaurya Srivastav , Jialin Liu , Ruoyu Zhang , Ruijie Fang , Asmita , Ryan Tsang , Najmeh Nazari , Han Wang , Houman Homayoun

Large Language Models (LLMs) have seen significant use in domains such as natural language processing and computer vision. Going beyond text, image and graphics, LLMs present a significant potential for analysis of time series data,…

Machine Learning · Computer Science 2024-05-08 Xiyuan Zhang , Ranak Roy Chowdhury , Rajesh K. Gupta , Jingbo Shang
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