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The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

计算与语言 · 计算机科学 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

计算与语言 · 计算机科学 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

人工智能 · 计算机科学 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

The vast amount of biomedical information available today presents a significant challenge for investigators seeking to digest, process, and understand these findings effectively. Large Language Models (LLMs) have emerged as powerful tools…

计算与语言 · 计算机科学 2024-07-19 Alexander R. Pelletier , Joseph Ramirez , Irsyad Adam , Simha Sankar , Yu Yan , Ding Wang , Dylan Steinecke , Wei Wang , Peipei Ping

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…

人工智能 · 计算机科学 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Hypothesis generation is a fundamental step in scientific discovery, yet it is increasingly challenged by information overload and disciplinary fragmentation. Recent advances in Large Language Models (LLMs) have sparked growing interest in…

Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly Large Language Models (LLMs), has the potential to…

多智能体系统 · 计算机科学 2025-07-08 Yi Luo , Linghang Shi , Yihao Li , Aobo Zhuang , Yeyun Gong , Ling Liu , Chen Lin

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

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…

机器人学 · 计算机科学 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

We introduce an explainability method for biomedical hypothesis generation systems, built on top of the novel Hypothesis Generation Context Retriever framework. Our approach combines semantic graph-based retrieval and relevant…

信息检索 · 计算机科学 2025-11-11 Ilya Tyagin , Saeideh Valipour , Aliaksandra Sikirzhytskaya , Michael Shtutman , Ilya Safro

Significant scientific discoveries have driven the progress of human civilisation. The explosion of scientific literature and data has created information barriers across disciplines that have slowed the pace of scientific discovery. Large…

计算与语言 · 计算机科学 2023-11-13 Biqing Qi , Kaiyan Zhang , Haoxiang Li , Kai Tian , Sihang Zeng , Zhang-Ren Chen , Bowen Zhou

Large Language Models (LLMs) and LLM-based agents show great promise in accelerating scientific research. Existing benchmarks for measuring this potential and guiding future development continue to evolve from pure recall and rote knowledge…

Synthetic data generation using large language models (LLMs) demonstrates substantial promise in addressing biomedical data challenges and shows increasing adoption in biomedical research. This study systematically reviews recent advances…

计算与语言 · 计算机科学 2026-02-18 Hanshu Rao , Weisi Liu , Haohan Wang , I-Chan Huang , Zhe He , Xiaolei Huang

The applications of large language models (LLMs) in various biological domains have been explored recently, but their reasoning ability in complex biological systems, such as pathways, remains underexplored, which is crucial for predicting…

机器学习 · 计算机科学 2025-07-23 Haiteng Zhao , Chang Ma , Fangzhi Xu , Lingpeng Kong , Zhi-Hong Deng

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…

生物大分子 · 定量生物学 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

As Large Language Models (LLMs) transition from static tools to autonomous agents, traditional evaluation benchmarks that measure performance on downstream tasks are becoming insufficient. These methods fail to capture the emergent social…

人工智能 · 计算机科学 2025-10-03 Zarreen Reza

Large language models (LLMs) in biomedicine face a fundamental conflict between static parameter knowledge and the dynamic nature of clinical evidence. Retrieval-Augmented Generation (RAG) addresses this by grounding generation in external…

其他定量生物学 · 定量生物学 2025-12-19 Jiawei He , Boya Zhang , Hossein Rouhizadeh , Yingjian Chen , Rui Yang , Jin Lu , Xudong Chen , Nan Liu , Douglas Teodoro

The question-answering system for Life science research, which is characterized by the rapid pace of discovery, evolving insights, and complex interactions among knowledge entities, presents unique challenges in maintaining a comprehensive…

计算与语言 · 计算机科学 2024-08-15 Chengrui Wang , Qingqing Long , Meng Xiao , Xunxin Cai , Chengjun Wu , Zhen Meng , Xuezhi Wang , Yuanchun Zhou

Large-scale scientific datasets -- spanning health biobanks, cell atlases, Earth reanalyses, and more -- create opportunities for exploratory discovery unconstrained by specific research questions. We term this process hypothesis hunting:…

人工智能 · 计算机科学 2025-10-13 Tennison Liu , Silas Ruhrberg Estévez , David L. Bentley , Mihaela van der Schaar

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

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