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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

Large language models (LLMs) often struggle with context fidelity, producing inconsistent answers when responding to questions based on provided information. Existing approaches either rely on expensive supervised fine-tuning to generate…

Computation and Language · Computer Science 2025-09-18 Suyuchen Wang , Jinlin Wang , Xinyu Wang , Shiqi Li , Xiangru Tang , Sirui Hong , Xiao-Wen Chang , Chenglin Wu , Bang Liu

Energy system models are increasingly employed to guide long-term planning in multi-sectoral environments where decisions span electricity, heat, transport, land use, and industry. While these models provide rigorous quantitative insights,…

Machine Learning · Computer Science 2025-12-02 Ali Forootani , Mohammad Sadr , Danial Esmaeili Aliabadi , Daniela Thraen

We address the task of hierarchical multi-label classification (HMC) of scientific documents at an industrial scale, where hundreds of thousands of documents must be classified across thousands of dynamic labels. The rapid growth of…

Artificial Intelligence · Computer Science 2024-12-09 Seyed Amin Tabatabaei , Sarah Fancher , Michael Parsons , Arian Askari

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) are being increasingly employed in data science for tasks like data preprocessing and analytics. However, data scientists encounter substantial obstacles when conversing with LLM-powered chatbots and acting on…

Human-Computer Interaction · Computer Science 2023-10-26 Bhavya Chopra , Ananya Singha , Anna Fariha , Sumit Gulwani , Chris Parnin , Ashish Tiwari , Austin Z. Henley

This paper introduces a system that integrates large language models (LLMs) into the clinical trial retrieval process, enhancing the effectiveness of matching patients with eligible trials while maintaining information privacy and allowing…

Information Retrieval · Computer Science 2024-11-01 Georgios Peikos , Pranav Kasela , Gabriella Pasi

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Although Large Language Models (LLMs) have demonstrated extraordinary capabilities in many domains, they still have a tendency to hallucinate and generate fictitious responses to user requests. This problem can be alleviated by augmenting…

Information Retrieval · Computer Science 2023-06-09 Jiongnan Liu , Jiajie Jin , Zihan Wang , Jiehan Cheng , Zhicheng Dou , Ji-Rong Wen

To address challenges in the digital economy's landscape of digital intelligence, large language models (LLMs) have been developed. Improvements in computational power and available resources have significantly advanced LLMs, allowing their…

Computation and Language · Computer Science 2024-05-24 Yanxin Zheng , Wensheng Gan , Zefeng Chen , Zhenlian Qi , Qian Liang , Philip S. Yu

Current interactive systems with natural language interfaces lack the ability to understand a complex information-seeking request which expresses several implicit constraints at once, and there is no prior information about user preferences…

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably…

Computation and Language · Computer Science 2024-10-11 Yuan Chiang , Elvis Hsieh , Chia-Hong Chou , Janosh Riebesell

This paper explores the potential opportunities, risks, and challenges associated with the use of large language models (LLMs) in sports science and medicine. LLMs are large neural networks with transformer style architectures trained on…

Computation and Language · Computer Science 2023-05-09 Mark Connor , Michael O'Neill

Despite the recent broad adoption of Large Language Models (LLMs) across various domains, their potential for enriching information systems in extracting and exploring Linked Data (LD) and Resource Description Framework (RDF) triplestores…

Information Retrieval · Computer Science 2024-09-25 Omar Mussa , Omer Rana , Benoît Goossens , Pablo Orozco-Terwengel , Charith Perera

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

Large language models (LLMs) have been widely applied to assist in finding solutions for diverse questions. Prior work has proposed representing a method as a pair of a question and its corresponding solution, enabling method reuse.…

Computation and Language · Computer Science 2025-10-17 Hong Su

Large Language Models (LLMs) have become a milestone in the field of artificial intelligence and natural language processing. However, their large-scale deployment remains constrained by the need for significant computational resources.…

Computation and Language · Computer Science 2025-08-07 Julián Camilo Velandia Gutiérrez

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

With the rapid development of large language models (LLMs), which possess powerful natural language processing and generation capabilities, LLMs are poised to provide more natural and personalized user experiences. Their deployment on…

Artificial Intelligence · Computer Science 2026-03-03 Lianjun Liu , Hongli An , Pengxuan Chen , Longxiang Ye

The research field of Information Retrieval (IR) has evolved significantly, expanding beyond traditional search to meet diverse user information needs. Recently, Large Language Models (LLMs) have demonstrated exceptional capabilities in…

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