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We introduce LLMD, a large language model designed to analyze a patient's medical history based on their medical records. Along with domain knowledge, LLMD is trained on a large corpus of records collected over time and across facilities,…

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

The drug development process necessitates that pharmacologists undertake various tasks, such as reviewing literature, formulating hypotheses, designing experiments, and interpreting results. Each stage requires accessing and querying vast…

Computation and Language · Computer Science 2023-08-01 Hong Lu , Chuan Li , Yinheng Li , Jie Zhao

The emergence of advanced reasoning capabilities in Large Language Models (LLMs) marks a transformative development in healthcare applications. Beyond merely expanding functional capabilities, these reasoning mechanisms enhance decision…

Artificial Intelligence · Computer Science 2025-08-27 Armin Berger , Sarthak Khanna , David Berghaus , Rafet Sifa

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

Machine Learning · Computer Science 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

The rapid development of large language models (LLMs) has been witnessed in recent years. Based on the powerful LLMs, multi-modal LLMs (MLLMs) extend the modality from text to a broader spectrum of domains, attracting widespread attention…

Artificial Intelligence · Computer Science 2024-08-06 Zhen Qin , Daoyuan Chen , Wenhao Zhang , Liuyi Yao , Yilun Huang , Bolin Ding , Yaliang Li , Shuiguang Deng

Large language models (LLMs) have large potential for molecular optimization, as they can gather external chemistry tools and enable collaborative interactions to iteratively refine molecular candidates. However, this potential remains…

Artificial Intelligence · Computer Science 2025-05-28 Hyomin Kim , Yunhui Jang , Sungsoo Ahn

Large Language Models (LLMs) have demonstrated remarkable versatility in recent years, offering potential applications across specialized domains such as healthcare and medicine. Despite the availability of various open-source LLMs tailored…

Computation and Language · Computer Science 2024-07-18 Yanis Labrak , Adrien Bazoge , Emmanuel Morin , Pierre-Antoine Gourraud , Mickael Rouvier , Richard Dufour

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

The prevalence of vision-threatening eye diseases is a significant global burden, with many cases remaining undiagnosed or diagnosed too late for effective treatment. Large vision-language models (LVLMs) have the potential to assist in…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Zhenyue Qin , Yu Yin , Dylan Campbell , Xuansheng Wu , Ke Zou , Yih-Chung Tham , Ninghao Liu , Xiuzhen Zhang , Qingyu Chen

Large multimodal models (LMMs) have demonstrated significant potential in providing innovative solutions for various biomedical tasks, including pathology analysis, radiology report generation, and biomedical assistance. However, the…

Machine Learning · Computer Science 2025-12-30 Dong Xue , Ziyao Shao , Zhaoyang Duan , Fangzhou Liu , Bing Li , Zhongheng Zhang

The development of synthesis procedures remains a fundamental challenge in materials discovery, with procedural knowledge scattered across decades of scientific literature in unstructured formats that are challenging for systematic…

Rapid advancements in imaging techniques and analytical methods over the past decade have revolutionized our ability to comprehensively probe the biological world at multiple scales, pinpointing the type, quantity, location, and even…

Artificial Intelligence · Computer Science 2025-10-02 Shanghang Zhang , Gaole Dai , Tiejun Huang , Jianxu Chen

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

Computation and Language · Computer Science 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

Large language models (LLMs) have demonstrated impressive capabilities in natural language understanding and generation, but the quality bar for medical and clinical applications is high. Today, attempts to assess models' clinical knowledge…

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Large Language Models (LLMs) have rapidly become important tools in Biomedical and Health Informatics (BHI), enabling new ways to analyze data, treat patients, and conduct research. This study aims to provide a comprehensive overview of LLM…

Digital Libraries · Computer Science 2024-07-30 Huizi Yu , Lizhou Fan , Lingyao Li , Jiayan Zhou , Zihui Ma , Lu Xian , Wenyue Hua , Sijia He , Mingyu Jin , Yongfeng Zhang , Ashvin Gandhi , Xin Ma

Large Language Models (LLMs) possess strong representation and reasoning capabilities, but their application to structure-based drug design (SBDD) is limited by insufficient understanding of protein structures and unpredictable molecular…

Machine Learning · Computer Science 2026-01-27 Xuanning Hu , Anchen Li , Qianli Xing , Jinglong Ji , Hao Tuo , Bo Yang

Multimodal Large Language Models (MLLMs) have demonstrated remarkable effectiveness in various general-domain scenarios, such as visual question answering and image captioning. Recently, researchers have increasingly focused on empowering…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Yan Shu , Chi Liu , Robin Chen , Derek Li , Bryan Dai
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