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Large Language Models (LLMs) are increasingly adopted for applications in healthcare, reaching the performance of domain experts on tasks such as question answering and document summarisation. Despite their success on these tasks, it is…

Computation and Language · Computer Science 2025-05-20 Aishik Nagar , Viktor Schlegel , Thanh-Tung Nguyen , Hao Li , Yuping Wu , Kuluhan Binici , Stefan Winkler

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

Robotics · Computer Science 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Artificial Intelligence · Computer Science 2026-05-19 Adeshola Okubena , Yusuf Ali Mohammed , Moe Elbadawi

Diabetes is a chronic disease with a significant global health burden, requiring multi-stakeholder collaboration for optimal management. Large language models (LLMs) have shown promise in various healthcare scenarios, but their…

Computation and Language · Computer Science 2025-03-14 Lai Wei , Zhen Ying , Muyang He , Yutong Chen , Qian Yang , Yanzhe Hong , Jiaping Lu , Kaipeng Zheng , Shaoting Zhang , Xiaoying Li , Weiran Huang , Ying Chen

The recent success of Large Language Models (LLMs) has had a significant impact on the healthcare field, providing patients with medical advice, diagnostic information, and more. However, due to a lack of professional medical knowledge,…

Computation and Language · Computer Science 2024-06-27 Wenya Xie , Qingying Xiao , Yu Zheng , Xidong Wang , Junying Chen , Ke Ji , Anningzhe Gao , Xiang Wan , Feng Jiang , Benyou Wang

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Artificial Intelligence · Computer Science 2026-01-21 Jinyoung Park , Minseong Bae , Jeehye Na , Hyunwoo J. Kim

Knowledge retrieval with multi-modal queries plays a crucial role in supporting knowledge-intensive multi-modal applications. However, existing methods face challenges in terms of their effectiveness and training efficiency, especially when…

Information Retrieval · Computer Science 2024-01-17 Xinwei Long , Jiali Zeng , Fandong Meng , Zhiyuan Ma , Kaiyan Zhang , Bowen Zhou , Jie Zhou

Large Language Models (LLMs) have demonstrated their transformative potential across numerous disciplinary studies, reshaping the existing research methodologies and fostering interdisciplinary collaboration. However, a systematic…

Computation and Language · Computer Science 2025-07-14 Lu Xiang , Yang Zhao , Yaping Zhang , Chengqing Zong

Biomedical queries often rely on a deep understanding of specialized knowledge such as gene regulatory mechanisms and pathological processes of diseases. They require detailed analysis of complex physiological processes and effective…

Computation and Language · Computer Science 2026-02-02 Congying Liu , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui

Scientific progress is driven by the deliberate articulation of what remains unknown. This study investigates the ability of large language models (LLMs) to identify research knowledge gaps in the biomedical literature. We define two…

Computation and Language · Computer Science 2025-10-30 Nourah M Salem , Elizabeth White , Michael Bada , Lawrence Hunter

In the wake of relentless digital transformation, data-driven solutions are emerging as powerful tools to address multifarious industrial tasks such as forecasting, anomaly detection, planning, and even complex decision-making. Although…

Artificial Intelligence · Computer Science 2023-10-18 Xu Yang , Xiao Yang , Weiqing Liu , Jinhui Li , Peng Yu , Zeqi Ye , Jiang Bian

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Recent breakthroughs in large language models (LLMs) offer unprecedented natural language understanding and generation capabilities. However, existing surveys on LLMs in biomedicine often focus on specific applications or model…

When applied directly in an end-to-end manner to medical follow-up tasks, Large Language Models (LLMs) often suffer from uncontrolled dialog flow and inaccurate information extraction due to the complexity of follow-up forms. To address…

Computation and Language · Computer Science 2025-12-23 Jinyan Liu , Zikang Chen , Qinchuan Wang , Tan Xie , Heming Zheng , Xudong Lv

Large Language Models (LLMs) have been widely applied in various professional fields. By fine-tuning the models using domain specific question and answer datasets, the professional domain knowledge and Q\&A abilities of these models have…

Computation and Language · Computer Science 2024-07-17 Qimin Yang , Rongsheng Wang , Jiexin Chen , Runqi Su , Tao Tan

The large-scale development of large language models (LLMs) in medical contexts, such as diagnostic assistance and treatment recommendations, necessitates that these models possess accurate medical knowledge and deliver traceable…

Artificial Intelligence · Computer Science 2025-08-12 Qiyuan Li , Haijiang Liu , Caicai Guo , Chao Gao , Deyu Chen , Meng Wang , Feng Gao , Frank van Harmelen , Jinguang Gu

Generative Large Language Models (LLMs) hold significant promise in healthcare, demonstrating capabilities such as passing medical licensing exams and providing clinical knowledge. However, their current use as information retrieval tools…

The current generation of large language models (LLMs) is typically designed for broad, general-purpose applications, while domain-specific LLMs, especially in vertical fields like medicine, remain relatively scarce. In particular, the…

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo