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Open-source, multilingual medical large language models (LLMs) have the potential to serve linguistically diverse populations across different regions. Adapting generic LLMs for healthcare often requires continual pretraining, but this…

Computation and Language · Computer Science 2024-09-10 Meng Zhou , Surajsinh Parmar , Anubhav Bhatti

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

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Khiem Le , Zhichun Guo , Kaiwen Dong , Xiaobao Huang , Bozhao Nan , Roshni Iyer , Xiangliang Zhang , Olaf Wiest , Wei Wang , Ting Hua , Nitesh V. Chawla

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

Foundation models (FMs) have exhibited remarkable performance across a wide range of downstream tasks in many domains. Nevertheless, general-purpose FMs often face challenges when confronted with domain-specific problems, due to their…

Computational Engineering, Finance, and Science · Computer Science 2023-08-22 Yizhen Luo , Jiahuan Zhang , Siqi Fan , Kai Yang , Yushuai Wu , Mu Qiao , Zaiqing Nie

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Biomedical data is inherently multimodal, consisting of electronic health records, medical imaging, digital pathology, genome sequencing, wearable sensors, and more. The application of artificial intelligence tools to these multifaceted…

Machine Learning · Computer Science 2024-08-26 Shentong Mo , Paul Pu Liang

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation…

Machine Learning · Computer Science 2024-10-08 Gang Liu , Michael Sun , Wojciech Matusik , Meng Jiang , Jie Chen

Foundation large language models (LLMs) have shown an impressive ability to solve tasks across a wide range of fields including health. To effectively solve personalized health tasks, LLMs need the ability to ingest a diversity of data…

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

Machine Learning · Computer Science 2026-05-15 Andrew Y. Zhou , Sharvaree Vadgama , Sumanth Varambally , Peter Eckmann , Michael K. Gilson , Rose Yu

Structural biology relies on accurate three-dimensional biomolecular structures to advance our understanding of biological functions, disease mechanisms, and therapeutics. While recent advances in deep learning have enabled the development…

Biomolecules · Quantitative Biology 2025-04-02 Yizhen Luo , Jiashuo Wang , Siqi Fan , Zaiqing Nie

Artificial intelligence (AI)-enabled diagnostics in maxillofacial pathology require structured, high-quality multimodal datasets. However, existing resources provide limited ameloblastoma coverage and lack the format consistency needed for…

Artificial Intelligence · Computer Science 2026-02-06 Ajo Babu George , Anna Mariam John , Athul Anoop , Balu Bhasuran

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…

Quantitative Methods · Quantitative Biology 2024-03-05 Yin Fang , Xiaozhuan Liang , Ningyu Zhang , Kangwei Liu , Rui Huang , Zhuo Chen , Xiaohui Fan , Huajun Chen

In an era defined by the explosive growth of data and rapid technological advancements, Multimodal Large Language Models (MLLMs) stand at the forefront of artificial intelligence (AI) systems. Designed to seamlessly integrate diverse data…

Multimodal large language models (MLLMs) achieve strong performance by jointly processing inputs from multiple modalities, such as vision, audio, and language. However, building such models or extending them to new modalities often requires…

Machine Learning · Computer Science 2026-03-24 Md Kaykobad Reza , Ameya Patil , Edward Ayrapetian , M. Salman Asif

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

Computational pathology models that use digitized histopathology whole-slide images have the potential to become a cost-effective and scalable alternative to molecular assays for the prediction of genomic biomarkers, a key task in precision…

Quantitative Methods · Quantitative Biology 2026-03-03 Ekaterina Redekop , Eric Zimmermann , Ava P Amini , Alex X Lu , Neil Tenenholtz , James Brian Hall , Lorin Crawford , Kristen A Severson

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

Quantitative Methods · Quantitative Biology 2024-01-22 Geyan Ye , Xibao Cai , Houtim Lai , Xing Wang , Junhong Huang , Longyue Wang , Wei Liu , Xiangxiang Zeng

Foundational models are trained on extensive datasets to capture the general trends of a domain. However, in medical imaging, the scarcity of data makes pre-training for every domain, modality, or task challenging. Instead of building…

Computer Vision and Pattern Recognition · Computer Science 2025-11-17 Mohammad Areeb Qazi , Munachiso S Nwadike , Ibrahim Almakky , Mohammad Yaqub , Numan Saeed