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Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

机器学习 · 计算机科学 2024-12-24 Chandan K Reddy , Parshin Shojaee

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding…

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific…

人工智能 · 计算机科学 2026-01-21 Guiyao Tie , Pan Zhou , Lichao Sun

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

计算与语言 · 计算机科学 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

人工智能 · 计算机科学 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Artificial intelligence (AI) is reshaping how research is conceived, conducted, and communicated across fields from chemistry to biomedicine. This commentary examines how AI is transforming the research workflow. AI systems now help…

人工智能 · 计算机科学 2025-11-14 Maksim E. Eren , Dorianis M. Perez

The rapid proliferation of scientific knowledge presents a grand challenge: transforming this vast repository of information into an active engine for discovery, especially in high-stakes domains like healthcare. Current AI agents, however,…

人工智能 · 计算机科学 2025-10-14 Yinghao Zhu , Yifan Qi , Zixiang Wang , Lei Gu , Dehao Sui , Haoran Hu , Xichen Zhang , Ziyi He , Junjun He , Liantao Ma , Lequan Yu

As data-driven methods, artificial intelligence (AI), and automated workflows accelerate scientific tasks, we see the rate of discovery increasingly limited by human decision-making tasks such as setting objectives, generating hypotheses,…

多智能体系统 · 计算机科学 2025-10-16 J. Gregory Pauloski , Kyle Chard , Ian T. Foster

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

多智能体系统 · 计算机科学 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift…

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Scientific progress in Earth science depends on integrating data across the planet's interconnected spheres. However, the accelerating volume and fragmentation of multi-sphere knowledge and data have surpassed human analytical capacity.…

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…

分布式、并行与集群计算 · 计算机科学 2023-04-04 Rafael Ferreira da Silva , Rosa M. Badia , Venkat Bala , Debbie Bard , Peer-Timo Bremer , Ian Buckley , Silvina Caino-Lores , Kyle Chard , Carole Goble , Shantenu Jha , Daniel S. Katz , Daniel Laney , Manish Parashar , Frederic Suter , Nick Tyler , Thomas Uram , Ilkay Altintas , Stefan Andersson , William Arndt , Juan Aznar , Jonathan Bader , Bartosz Balis , Chris Blanton , Kelly Rosa Braghetto , Aharon Brodutch , Paul Brunk , Henri Casanova , Alba Cervera Lierta , Justin Chigu , Taina Coleman , Nick Collier , Iacopo Colonnelli , Frederik Coppens , Michael Crusoe , Will Cunningham , Bruno de Paula Kinoshita , Paolo Di Tommaso , Charles Doutriaux , Matthew Downton , Wael Elwasif , Bjoern Enders , Chris Erdmann , Thomas Fahringer , Ludmilla Figueiredo , Rosa Filgueira , Martin Foltin , Anne Fouilloux , Luiz Gadelha , Andy Gallo , Artur Garcia Saez , Daniel Garijo , Roman Gerlach , Ryan Grant , Samuel Grayson , Patricia Grubel , Johan Gustafsson , Valerie Hayot-Sasson , Oscar Hernandez , Marcus Hilbrich , AnnMary Justine , Ian Laflotte , Fabian Lehmann , Andre Luckow , Jakob Luettgau , Ketan Maheshwari , Motohiko Matsuda , Doriana Medic , Pete Mendygral , Marek Michalewicz , Jorji Nonaka , Maciej Pawlik , Loic Pottier , Line Pouchard , Mathias Putz , Santosh Kumar Radha , Lavanya Ramakrishnan , Sashko Ristov , Paul Romano , Daniel Rosendo , Martin Ruefenacht , Katarzyna Rycerz , Nishant Saurabh , Volodymyr Savchenko , Martin Schulz , Christine Simpson , Raul Sirvent , Tyler Skluzacek , Stian Soiland-Reyes , Renan Souza , Sreenivas Rangan Sukumar , Ziheng Sun , Alan Sussman , Douglas Thain , Mikhail Titov , Benjamin Tovar , Aalap Tripathy , Matteo Turilli , Bartosz Tuznik , Hubertus van Dam , Aurelio Vivas , Logan Ward , Patrick Widener , Sean Wilkinson , Justyna Zawalska , Mahnoor Zulfiqar

In the rapidly evolving field of artificial intelligence, the ability to harness and integrate knowledge across various domains stands as a paramount challenge and opportunity. This study introduces a novel approach to cross-domain…

As designers become familiar with Generative AI, a new concept is emerging: Agentic AI. While generative AI produces output in response to prompts, agentic AI systems promise to perform mundane tasks autonomously, potentially freeing…

人机交互 · 计算机科学 2025-09-26 Samangi Wadinambiarachchi , Jenny Waycott , Yvonne Rogers , Greg Wadley

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

人工智能 · 计算机科学 2026-04-16 Qibin Liu , Julia Gonski

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

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