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相关论文: LLM Agent Swarm for Hypothesis-Driven Drug Discove…

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Agentic systems for drug discovery have demonstrated autonomous synthesis planning, literature mining, and molecular design. We ask how well they generalize. Evaluating six frameworks against 15 task classes drawn from peptide therapeutics,…

定量方法 · 定量生物学 2026-02-12 Edward Wijaya

Recent advancements in Large Language Models (LLMs) have led to a rapid growth of agentic systems capable of handling a wide range of complex tasks. However, current research largely relies on manual, task-specific design, limiting their…

计算与语言 · 计算机科学 2025-02-28 Yu Shang , Yu Li , Keyu Zhao , Likai Ma , Jiahe Liu , Fengli Xu , Yong Li

Large Language Models (LLMs) are increasingly applied in healthcare, yet ensuring their ethical integrity and safety compliance remains a major barrier to clinical deployment. This work introduces a multi-agent refinement framework designed…

Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

生物大分子 · 定量生物学 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

人工智能 · 计算机科学 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

In our study, we evaluated large language model (LLM) performance on pharmacy licensure-style question-answering tasks and developed an external knowledge integration method to improve accuracy. We benchmarked ten LLMs with varying…

Large language model (LLM)--based agents have emerged as pivotal tools in assisting human experts across various fields by transforming complex tasks into more efficient workflows and providing actionable stakeholder insights. Despite their…

人机交互 · 计算机科学 2025-05-13 Xiaoshan Huang , Jie Gao , Haolun Wu

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…

计算与语言 · 计算机科学 2024-08-01 Roma Shusterman , Allison C. Waters , Shannon O`Neill , Phan Luu , Don M. Tucker

Large Language Model (LLM) Agents are an emerging computing paradigm that blends generative machine learning with tools such as code interpreters, web browsing, email, and more generally, external resources. These agent-based systems…

密码学与安全 · 计算机科学 2024-10-23 Xiaohan Fu , Shuheng Li , Zihan Wang , Yihao Liu , Rajesh K. Gupta , Taylor Berg-Kirkpatrick , Earlence Fernandes

The advancement of artificial intelligence algorithms has expanded their application to several fields such as the biomedical domain. Artificial intelligence systems, including Large Language Models (LLMs), can be particularly advantageous…

Recently, many approaches, such as Chain-of-Thought (CoT) prompting and Multi-Agent Debate (MAD), have been proposed to further enrich Large Language Models' (LLMs) complex problem-solving capacities in reasoning scenarios. However, these…

多智能体系统 · 计算机科学 2025-06-02 Ying Zhu , Heng Zhou , Rui Su , Peiqin Zhuang , Lei Bai

The adoption of machine learning (ML) and deep learning methods has revolutionized molecular medicine by driving breakthroughs in genomics, transcriptomics, drug discovery, and biological systems modeling. The increasing quantity,…

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of…

计算与语言 · 计算机科学 2024-11-06 Sikun Guo , Amir Hassan Shariatmadari , Guangzhi Xiong , Albert Huang , Eric Xie , Stefan Bekiranov , Aidong Zhang

Autonomous agents based on Large Language Models (LLMs) are increasingly being utilized in complex software systems. However, reliability remains a significant challenge due to unpredictable failures such as hallucinations, execution…

软件工程 · 计算机科学 2026-05-11 Cheonsu Jeong , Younggun Shin

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by…

Hallucinations pose a significant challenge to the reliability and alignment of Large Language Models (LLMs), limiting their widespread acceptance beyond chatbot applications. Despite ongoing efforts, hallucinations remain a prevalent…

计算与语言 · 计算机科学 2024-02-27 Cem Uluoglakci , Tugba Taskaya Temizel

Artificial intelligence has accelerated materials discovery through high-throughput prediction and generation, yet the decision problem remains a formidable bottleneck. While current AI systems readily propose millions of candidates,…

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

计算与语言 · 计算机科学 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

计算与语言 · 计算机科学 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

Large Language Models (LLMs) have demonstrated remarkable performance across various tasks. Their potential to facilitate human coordination with many agents is a promising but largely under-explored area. Such capabilities would be helpful…