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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

Large Language Models (LLMs) and multi-agent systems have shown impressive capabilities in natural language tasks but face challenges in clinical trial applications, primarily due to limited access to external knowledge. Recognizing the…

Computation and Language · Computer Science 2024-07-23 Ling Yue , Sixue Xing , Jintai Chen , Tianfan Fu

We introduce DriveAgent, a novel multi-agent autonomous driving framework that leverages large language model (LLM) reasoning combined with multimodal sensor fusion to enhance situational understanding and decision-making. DriveAgent…

Robotics · Computer Science 2025-05-06 Xinmeng Hou , Wuqi Wang , Long Yang , Hao Lin , Jinglun Feng , Haigen Min , Xiangmo Zhao

Large language models (LLMs), despite their remarkable progress across various general domains, encounter significant barriers in medicine and healthcare. This field faces unique challenges such as domain-specific terminologies and…

Computation and Language · Computer Science 2024-06-06 Xiangru Tang , Anni Zou , Zhuosheng Zhang , Ziming Li , Yilun Zhao , Xingyao Zhang , Arman Cohan , Mark Gerstein

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

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

There are two main barriers to using large language models (LLMs) in clinical reasoning. Firstly, while LLMs exhibit significant promise in Natural Language Processing (NLP) tasks, their performance in complex reasoning and planning falls…

Artificial Intelligence · Computer Science 2024-12-31 Shengxin Hong , Liang Xiao , Xin Zhang , Jianxia Chen

Large Language Models (LLMs) are transforming artificial intelligence, evolving into task-oriented systems capable of autonomous planning and execution. One of the primary applications of LLMs is conversational AI systems, which must…

Computation and Language · Computer Science 2025-01-22 Elad Levi , Ilan Kadar

Explainable Reinforcement Learning (XRL) has emerged as a promising approach in improving the transparency of Reinforcement Learning (RL) agents. However, there remains a gap between complex RL policies and domain experts, due to the…

Artificial Intelligence · Computer Science 2025-09-09 Haechang Kim , Hao Chen , Can Li , Jong Min Lee

Medical Decision-Making (MDM) is a multi-faceted process that requires clinicians to assess complex multi-modal patient data patient, often collaboratively. Large Language Models (LLMs) promise to streamline this process by synthesizing…

Large language models (LLMs) struggle in real-world clinical consultations. Single-turn consultation systems require patients to describe all symptoms at once, which often leads to unclear complaints and vague diagnoses. Traditional…

Computation and Language · Computer Science 2026-05-01 Yichun Feng , Jiawei Wang , Lu Zhou , Yikai Zheng , Zhen Lei , Yixue Li

Building agents with adaptive behavior in cooperative tasks stands as a paramount goal in the realm of multi-agent systems. Current approaches to developing cooperative agents rely primarily on learning-based methods, whose policy…

Foundation models are becoming valuable tools in medicine. Yet despite their promise, the best way to leverage Large Language Models (LLMs) in complex medical tasks remains an open question. We introduce a novel multi-agent framework, named…

Computation and Language · Computer Science 2024-10-31 Yubin Kim , Chanwoo Park , Hyewon Jeong , Yik Siu Chan , Xuhai Xu , Daniel McDuff , Hyeonhoon Lee , Marzyeh Ghassemi , Cynthia Breazeal , Hae Won Park

The increasing volume of drug combinations in modern therapeutic regimens needs reliable methods for predicting drug-drug interactions (DDIs). While Large Language Models (LLMs) have revolutionized various domains, their potential in…

Machine Learning · Computer Science 2025-02-12 Gabriele De Vito , Filomena Ferrucci , Athanasios Angelakis

Open data repositories hold potential for evidence-based decision-making, yet are inaccessible to non-experts lacking expertise in dataset discovery, schema mapping, and statistical analysis. Large language models show promise for…

Artificial Intelligence · Computer Science 2025-11-06 Sina Montazeri , Yunhe Feng , Kewei Sha

In an era where single large language models have dominated the landscape of artificial intelligence for years, multi-agent systems arise as new protagonists in conversational task-solving. While previous studies have showcased their…

Computation and Language · Computer Science 2024-11-04 Jonas Becker

Background: Cognitive biases in clinical decision-making significantly contribute to errors in diagnosis and suboptimal patient outcomes. Addressing these biases presents a formidable challenge in the medical field. Objective: This study…

Computation and Language · Computer Science 2024-05-14 Yu He Ke , Rui Yang , Sui An Lie , Taylor Xin Yi Lim , Hairil Rizal Abdullah , Daniel Shu Wei Ting , Nan Liu

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug…

PET theranostics is transforming precision oncology, yet treatment response varies substantially; many patients receiving 177Lu-PSMA radioligand therapy (RLT) for metastatic castration-resistant prostate cancer (mCRPC) fail to respond,…

Drug-target interaction (DTI) prediction is of great significance for drug discovery and drug repurposing. With the accumulation of a large volume of valuable data, data-driven methods have been increasingly harnessed to predict DTIs,…

Machine Learning · Computer Science 2025-11-11 Yuhao Zhang , Qinghong Guo , Qixian Chen , Liuwei Zhang , Hongyan Cui , Xiyi Chen
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