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Language models serve as a cornerstone in natural language processing (NLP), utilizing mathematical methods to generalize language laws and knowledge for prediction and generation. Over extensive research spanning decades, language modeling…

Computation and Language · Computer Science 2024-09-24 Zichong Wang , Zhibo Chu , Thang Viet Doan , Shiwen Ni , Min Yang , Wenbin Zhang

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

Large language models (LLMs) process and predict sequences containing text to answer questions, and address tasks including document summarization, providing recommendations, writing software and solving quantitative problems. We provide a…

Numerical Analysis · Mathematics 2026-02-02 Ricardo Baptista , Andrew Stuart , Son Tran

Molecule generation is key to drug discovery and materials science, enabling the design of novel compounds with specific properties. Large language models (LLMs) can learn to perform a wide range of tasks from just a few examples. However,…

Computation and Language · Computer Science 2025-09-30 Wen Tao , Jing Tang , Alvin Chan , Bryan Hooi , Baolong Bi , Nanyun Peng , Yuansheng Liu , Yiwei Wang

Large Language Models (LLMs) have recently demonstrated remarkable capabilities in natural language processing tasks and beyond. This success of LLMs has led to a large influx of research contributions in this direction. These works…

Computation and Language · Computer Science 2024-10-18 Humza Naveed , Asad Ullah Khan , Shi Qiu , Muhammad Saqib , Saeed Anwar , Muhammad Usman , Naveed Akhtar , Nick Barnes , Ajmal Mian

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

A Large Language Model (LLM) represents a cutting-edge artificial intelligence model that generates coherent content, including grammatically precise sentences, human-like paragraphs, and syntactically accurate code snippets. LLMs can play…

Software Engineering · Computer Science 2023-12-11 Robson Santos , Italo Santos , Cleyton Magalhaes , Ronnie de Souza Santos

In recent years, large language models (LLMs) have been extensively utilized for behavioral modeling, for example, to automatically generate sequence diagrams. However, no overview of this work has been published yet. Such an overview will…

Software Engineering · Computer Science 2025-09-30 Muhammad Laiq

Significant scientific discoveries have driven the progress of human civilisation. The explosion of scientific literature and data has created information barriers across disciplines that have slowed the pace of scientific discovery. Large…

Computation and Language · Computer Science 2023-11-13 Biqing Qi , Kaiyan Zhang , Haoxiang Li , Kai Tian , Sihang Zeng , Zhang-Ren Chen , Bowen Zhou

Advances in the general capabilities of large language models (LLMs) have led to their use for information retrieval, and as components in automated decision systems. A faithful representation of probabilistic reasoning in these models may…

Artificial Intelligence · Computer Science 2025-04-21 Gabriel Freedman , Francesca Toni

Recent work has investigated the capabilities of large language models (LLMs) as zero-shot models for generating individual-level characteristics (e.g., to serve as risk models or augment survey datasets). However, when should a user have…

Retrained large language models (LLMs) have become extensively used across various sub-disciplines of natural language processing (NLP). In NLP, text classification problems have garnered considerable focus, but still faced with some…

Computation and Language · Computer Science 2023-12-05 Zhiqiang Wang , Yiran Pang , Yanbin Lin

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

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

Objective: Large language models (LLMs) are attracting increasing interest in healthcare. This commentary evaluates the potential of LLMs to improve clinical prediction models (CPMs) for diagnostic and prognostic tasks, with a focus on…

Computers and Society · Computer Science 2025-11-07 Yusuf Yildiz , Goran Nenadic , Meghna Jani , David A. Jenkins

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

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

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

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…