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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

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

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

Background: Biomedical entity normalization is critical to biomedical research because the richness of free-text clinical data, such as progress notes, can often be fully leveraged only after translating words and phrases into structured…

Computation and Language · Computer Science 2024-05-27 Nicholas J Dobbins

Large Language Models (LLMs) have garnered significant attention for several years now. Recently, their use as independently reasoning agents has been proposed. In this work, we test the potential of such agents for knowledge discovery in…

Artificial Intelligence · Computer Science 2026-01-28 Andreas Werbrouck , Marshall B. Lindsay , Matthew Maschmann , Matthias J. Young

At the core of Deep Research is knowledge mining, the task of extracting structured information from massive unstructured text in response to user instructions. Large language models (LLMs) excel at interpreting such instructions but are…

Artificial Intelligence · Computer Science 2025-10-16 Sipeng Zhang , Longfei Yun , Zilong Wang , Jingbo Shang , Letian Peng

Medical image classifiers detect gastrointestinal diseases well, but they do not explain their decisions. Large language models can generate clinical text, yet they struggle with visual reasoning and often produce unstable or incorrect…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Md. Najib Hasan , Imran Ahmad , Sourav Basak Shuvo , Md. Mahadi Hasan Ankon , Sunanda Das , Nazmul Siddique , Hui Wang

Large language models (LLMs), have shown strong potential in scientific discovery, yet existing methods still face substantial challenges in the design of research workflows and multi-role collaboration mechanisms. To mitigate these issues,…

Artificial Intelligence · Computer Science 2026-05-26 Xiaoyu Xiong , Yuqi Ren , Deyi Xiong

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to…

Computation and Language · Computer Science 2023-11-09 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana

Clinical Decision Support Systems (CDSS) utilize evidence-based knowledge and patient data to offer real-time recommendations, with Large Language Models (LLMs) emerging as a promising tool to generate plain-text explanations for medical…

Computation and Language · Computer Science 2023-10-04 D. Umerenkov , G. Zubkova , A. Nesterov

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

This paper proposes a novel multimodal deep learning framework integrating bidirectional LSTM, multi-head attention mechanism, and variational mode decomposition (BiLSTM-AM-VMD) for early liver cancer diagnosis. Using heterogeneous data…

Machine Learning · Computer Science 2025-09-03 Cheng Cheng , Zeping Chen , Xavier Wang

Recent studies show that deep learning models achieve good performance on medical imaging tasks such as diagnosis prediction. Among the models, multimodality has been an emerging trend, integrating different forms of data such as chest…

Machine Learning · Computer Science 2022-02-10 Haodi Zhang , Chenyu Xu , Peirou Liang , Ke Duan , Hao Ren , Weibin Cheng , Kaishun Wu

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers…

Large language models (LLMs) are widely explored for reasoning-intensive research tasks, yet resources for testing whether they can infer scientific conclusions from structured biomedical evidence remain limited. We introduce…

Computation and Language · Computer Science 2026-04-09 Weiyue Li , Ruizhi Qian , Yi Li , Yongce Li , Yunfan Long , Jiahui Cai , Yan Luo , Mengyu Wang

Despite the success of large language models (LLMs) on general-purpose tasks, their performance in highly specialized domains such as biomedicine remains unsatisfactory. A key limitation is the inability of LLMs to effectively leverage…

Computation and Language · Computer Science 2026-05-08 Xin Gao , Ruiyi Zhang , Meixi Du , Peijia Qin , Pengtao Xie

Syllogistic reasoning is crucial for sound legal decision-making, allowing legal professionals to draw logical conclusions by applying general principles to specific case facts. While large language models (LLMs) can answer legal questions,…

Computation and Language · Computer Science 2025-06-02 Kepu Zhang , Weijie Yu , Zhongxiang Sun , Jun Xu

Large language models (LLMs) are increasingly applied to scientific research, yet existing evaluations often fail to reflect the fine-grained capabilities required in practice. Most benchmarks are manually curated or domain-generic,…

Lung cancer clinical decision support demands precise reasoning across complex, multi-stage oncological workflows. Existing multimodal large language models (MLLMs) fail to handle guideline-constrained staging and treatment reasoning. We…

Process discovery aims to derive process models from event logs, providing insights into operational behavior and forming a foundation for conformance checking and process improvement. However, models derived solely from event data may not…

Artificial Intelligence · Computer Science 2025-10-09 Ali Norouzifar , Humam Kourani , Marcus Dees , Wil van der Aalst