English
Related papers

Related papers: Can AI Agents Design and Implement Drug Discovery …

200 papers

Large language models (LLMs), adopted to understand human language, drive the development of artificial intelligence (AI) web search agents. Compared to traditional search engines, LLM-powered AI search agents are capable of understanding…

Information Retrieval · Computer Science 2025-02-25 Chuanrui Hu , Shichong Xie , Baoxin Wang , Bin Chen , Xiaofeng Cong , Jun Zhang

Self-driving laboratories (SDLs) close the loop between experiment design, automated execution, and data-driven decision making, and they provide a demanding testbed for agentic AI under expensive actions, noisy and delayed feedback, strict…

Artificial Intelligence · Computer Science 2026-01-27 Xuanzhou Chen , Audrey Wang , Stanley Yin , Hanyang Jiang , Dong Zhang

Automatic search for Multi-Agent Systems has recently emerged as a key focus in agentic AI research. Several prior approaches have relied on LLM-based free-form search over the code space. In this work, we propose a more structured…

In an era dominated by Large Language Models (LLMs), understanding their capabilities and limitations, especially in high-stakes fields like law, is crucial. While LLMs such as Meta's LLaMA, OpenAI's ChatGPT, Google's Gemini, DeepSeek, and…

Computation and Language · Computer Science 2025-09-29 Antreas Ioannou , Andreas Shiamishis , Nora Hollenstein , Nezihe Merve Gürel

Agentic search such as Deep Research systems-where agents autonomously browse the web, synthesize information, and return comprehensive citation-backed answers-represents a major shift in how users interact with web-scale information. While…

With the advancement of web techniques, they have significantly revolutionized various aspects of people's lives. Despite the importance of the web, many tasks performed on it are repetitive and time-consuming, negatively impacting overall…

Artificial Intelligence · Computer Science 2025-08-06 Liangbo Ning , Ziran Liang , Zhuohang Jiang , Haohao Qu , Yujuan Ding , Wenqi Fan , Xiao-yong Wei , Shanru Lin , Hui Liu , Philip S. Yu , Qing Li

Large Language Models (LLMs) have demonstrated remarkable proficiency in code generation and general reasoning, yet their capacity for autonomous multi-stage planning in high-dimensional, physically constrained environments remains an open…

Artificial Intelligence · Computer Science 2026-02-04 Iñaki del Campo , Pablo Cuervo , Victor Rodriguez-Fernandez , Roberto Armellin , Jack Yarndley

Drug discovery is adapting to novel technologies such as data science, informatics, and artificial intelligence (AI) to accelerate effective treatment development while reducing costs and animal experiments. AI is transforming drug…

Artificial Intelligence · Computer Science 2023-07-14 Catrin Hasselgren , Tudor I. Oprea

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

Software Engineering · Computer Science 2026-01-21 Yongjian Tang , Thomas Runkler

The field of artificial intelligence (AI) agents is evolving rapidly, driven by the capabilities of Large Language Models (LLMs) to autonomously perform and refine tasks with human-like efficiency and adaptability. In this context,…

Statistical Finance · Quantitative Finance 2025-08-18 Tianjiao Zhao , Jingrao Lyu , Stokes Jones , Harrison Garber , Stefano Pasquali , Dhagash Mehta

With the rapid advancement of Artificial Intelligence (AI), Large Language Models (LLMs) have significantly impacted a wide array of domains, including healthcare, engineering, science, education, and mathematical reasoning. Among these,…

Machine Learning · Computer Science 2025-05-20 Afrar Jahin , Arif Hassan Zidan , Wei Zhang , Yu Bao , Tianming Liu

Mental disorders represent a critical global health challenge, and social media is increasingly viewed as a vital resource for real-time digital phenotyping and intervention. To leverage this data, large language models (LLMs) have been…

Computation and Language · Computer Science 2025-12-23 Zhuohan Ge , Darian Li , Yubo Wang , Nicole Hu , Xinyi Zhu , Haoyang Li , Xin Zhang , Mingtao Zhang , Shihao Qi , Yuming Xu , Han Shi , Chen Jason Zhang , Qing Li

Integrating Large Language Models (LLMs) into autonomous agents marks a significant shift in the research landscape by offering cognitive abilities that are competitive with human planning and reasoning. This paper explores the…

Software Engineering · Computer Science 2025-07-21 Junda He , Christoph Treude , David Lo

Scientific Workflow Systems such as Galaxy and Nextflow are essential for scalable, reproducible, and automated bioinformatics analyses. However, developing and understanding scientific workflows remains challenging for many domain…

Software Engineering · Computer Science 2025-08-18 Khairul Alam , Banani Roy

AI agents that leverage Large Language Models (LLMs) are increasingly becoming core building blocks of modern software systems. A wide range of frameworks is now available to support the specification of such applications. These frameworks…

Artificial Intelligence · Computer Science 2025-11-04 Fabiana Fournier , Lior Limonad , Yuval David

The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated reasoning, robust perception, and versatile action across…

Modern software delivery has accelerated from quarterly releases to multiple deployments per day. While CI/CD tooling has matured, human decision points interpreting flaky tests, choosing rollback strategies, tuning feature flags, and…

Software Engineering · Computer Science 2026-02-24 Mohammad Baqar , Saba Naqvi , Rajat Khanda

With the advancement of Agentic AI, researchers are increasingly leveraging autonomous agents to address challenges in software engineering (SE). However, the large language models (LLMs) that underpin these agents often function as black…

Software Engineering · Computer Science 2026-04-03 Jingyue Li , André Storhaug

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

AI agent development relies heavily on natural language prompting to define agents' tasks, knowledge, and goals. These prompts are interpreted by Large Language Models (LLMs), which govern agent behavior. Consequently, agentic performance…

Artificial Intelligence · Computer Science 2026-04-14 Roi Ben-Gigi , Yuval David , Fabiana Fournier , Lior Limonad , Dany Moshkovich , Hadar Mulian , Segev Shlomov