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Medication recommendation predicts medications for patient visits, but existing methods still face two key challenges. At the model level, traditional drug recommendation methods only predict structured drug codes with limited evidence…

Computation and Language · Computer Science 2026-05-29 Xinyu Wang , Hanwei Wu , Zhenghan Tai , Sicheng Lyu , Qincheng Lu , Ziyu Zhao , Jijun Chi , Jingrui Tian , Xiao-Wen Chang , Ziyang Song

Traditional reinforcement learning and planning typically requires vast amounts of data and training to develop effective policies. In contrast, large language models (LLMs) exhibit strong generalization and zero-shot capabilities, but…

Artificial Intelligence · Computer Science 2025-07-30 Jonathan Light , Min Cai , Weiqin Chen , Guanzhi Wang , Xiusi Chen , Wei Cheng , Yisong Yue , Ziniu Hu

Building effective clinical decision support systems requires the synthesis of complex heterogeneous multimodal data. Such modalities include temporal electronic health records data, medical images, radiology reports, and clinical notes.…

Artificial Intelligence · Computer Science 2026-05-12 Baraa Al Jorf , Farah E. Shamout

Most of the existing medication recommendation models are predicted with only structured data such as medical codes, with the remaining other large amount of unstructured or semi-structured data underutilization. To increase the utilization…

Computation and Language · Computer Science 2024-07-16 Yu-Tzu Lee

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

The recommendation of medication is a vital aspect of intelligent healthcare systems, as it involves prescribing the most suitable drugs based on a patient's specific health needs. Unfortunately, many sophisticated models currently in use…

Information Retrieval · Computer Science 2025-01-28 Qidong Liu , Xian Wu , Xiangyu Zhao , Yuanshao Zhu , Zijian Zhang , Feng Tian , Yefeng Zheng

Large Language Models (LLMs) like GPT-4 have revolutionized natural language processing, showing remarkable linguistic proficiency and reasoning capabilities. However, their application in strategic multi-agent decision-making environments…

Computation and Language · Computer Science 2024-05-29 Chuanhao Li , Runhan Yang , Tiankai Li , Milad Bafarassat , Kourosh Sharifi , Dirk Bergemann , Zhuoran Yang

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

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

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Numerous medical systems powered by Large Language Models (LLMs) have achieved remarkable progress in diverse healthcare tasks. However, research on their medication safety remains limited due to the lack of real world datasets, constrained…

Artificial Intelligence · Computer Science 2025-11-07 Jiahao Zhao , Luxin Xu , Minghuan Tan , Lichao Zhang , Ahmadreza Argha , Hamid Alinejad-Rokny , Min Yang

The introduction of large language models (LLMs) has greatly enhanced the capabilities of software agents. Instead of relying on rule-based interactions, agents can now interact in flexible ways akin to humans. However, this flexibility…

Human-Computer Interaction · Computer Science 2026-02-04 Joar Sabel , Mattias Wingren , Andreas Lundell , Sören Andersson , Sara Rosenberg , Susanne Hägglund , Linda Estman , Malin Andtfolk

Recommender systems are essential components of many online platforms, yet traditional approaches still struggle with understanding complex user preferences and providing explainable recommendations. The emergence of Large Language Model…

Information Retrieval · Computer Science 2025-03-05 Qiyao Peng , Hongtao Liu , Hua Huang , Qing Yang , Minglai Shao

Large language models (LLMs) holds significant promise in achieving general medication recommendation systems owing to their comprehensive interpretation of clinical notes and flexibility to medication encoding. We evaluated both…

Information Retrieval · Computer Science 2025-08-05 Zihao Zhao , Chenxiao Fan , Junlong Liu , Zheng Wang , Xiangnan He , Chongming Gao , Juan Li , Fuli Feng

Continuing advances in Large Language Models (LLMs) in artificial intelligence offer important capacities in intuitively accessing and using medical knowledge in many contexts, including education and training as well as assessment and…

Computation and Language · Computer Science 2024-08-01 Roma Shusterman , Allison C. Waters , Shannon O`Neill , Phan Luu , Don M. Tucker

Online health resources and large language models (LLMs) are increasingly used as a first point of contact for medical decision-making, yet their reliability in healthcare remains limited by low accuracy, lack of transparency, and…

Artificial Intelligence · Computer Science 2026-04-22 Yujia Liu , Sophia Yu , Hongyue Jin , Jessica Wen , Alexander Qian , Terrence Lee , Mattheus Ramsis , Gi Won Choi , Lianhui Qin , Xin Liu , Edward J. Wang

As the strength of Large Language Models (LLMs) has grown over recent years, so too has interest in their use as the underlying models for autonomous agents. Although LLMs demonstrate emergent abilities and broad expertise across natural…

Artificial Intelligence · Computer Science 2024-12-06 Chris Sypherd , Vaishak Belle

Mental health disorders affect millions worldwide, and healthcare systems are increasingly overwhelmed by the volume of clinical data generated from electronic records, telemedicine platforms, and population-level screening programs. At the…

Artificial Intelligence · Computer Science 2026-05-14 Giuliano Lorenzoni , Paulo Alencar , Donald Cowan

The proliferation of large language models (LLMs) has accelerated the adoption of agent-based workflows, where multiple autonomous agents reason, invoke functions, and collaborate to compose complex data pipelines. However, current…

Databases · Computer Science 2025-12-15 Zoi Kaoudi , Ioana Giurgiu
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