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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…

Automating science laboratories enables faster, safer, more accurate, and more reproducible execution of protocols, accelerating the discovery and testing of new materials, drugs, and more. However, setting up and running autonomous labs…

Artificial Intelligence · Computer Science 2026-05-19 Angelos Angelopoulos , James F. Cahoon , Ron Alterovitz

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…

Artificial Intelligence · Computer Science 2026-01-21 Guiyao Tie , Pan Zhou , Lichao Sun

Software automation has long been a central goal of software engineering, striving for software development that proceeds without human intervention. Recent efforts have leveraged Artificial Intelligence (AI) to advance software automation…

Software Engineering · Computer Science 2025-10-02 Liyi Cai , Yijie Ren , Yitong Zhang , Jia Li

Recent development in Artificial Intelligence (AI) models has propelled their application in scientific discovery, but the validation and exploration of these discoveries require subsequent empirical experimentation. The concept of…

Robotics · Computer Science 2024-11-04 Yu-Zhe Shi , Fanxu Meng , Haofei Hou , Zhangqian Bi , Qiao Xu , Lecheng Ruan , Qining Wang

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

Artificial intelligence (AI) has been increasingly applied in scientific activities for decades; however, it is still far from an insightful and trustworthy collaborator in the scientific process. Most existing AI methods are either too…

Artificial Intelligence · Computer Science 2022-02-08 Morad Behandish , John Maxwell , Johan de Kleer

In the context of collaborative AI research and development projects, it would be ideal to have self-contained encapsulated algorithms that can be easily shared between different parties, executed and validated on data at different sites,…

Software Engineering · Computer Science 2025-09-12 Hans Meine , Yongli Mou , Guido Prause , Horst Hahn

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…

Multiagent Systems · Computer Science 2025-07-08 Yi Luo , Linghang Shi , Yihao Li , Aobo Zhuang , Yeyun Gong , Ling Liu , Chen Lin

Scientific discovery increasingly entails long-horizon exploration of complex hypothesis spaces, yet most existing approaches emphasize final performance while offering limited insight into how scientific exploration unfolds over time,…

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

The automation of experiments in life sciences and chemistry has significantly advanced with the development of various instruments and AI technologies. However, achieving full laboratory automation, where experiments conceived by…

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects…

A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists, agentic AI scientists are not built for autonomous…

Artificial Intelligence · Computer Science 2026-05-12 Harshit Bisht , Vinay Kumar , Kevin Maik Jablonka , Mausam , N. M. Anoop Krishnan

Experimental particle physics seeks to understand the universe by probing its fundamental particles and forces and exploring how they govern the large-scale processes that shape cosmic evolution. This whitepaper presents a vision for how…

High Energy Physics - Experiment · Physics 2026-02-20 Thea Klaeboe Aarrestad , Alaa Abdelhamid , Haider Abidi , Jahred Adelman , Jennifer Adelman-McCarthy , Shuchin Aeron , Garvita Agarwal , Usman Ali , Cristiano Alpigiani , Omar Alterkait , Mohamed Aly , Oz Amram , Saeed Ansari Fard , Aram Apyan , John Arrington , Marvin Ascencio-Sosa , Mohammad Atif , Aneesha Avasthi , Muhammad Bilal Azam , Bhim Bam , Joshua Barrow , Rainer Bartoldus , Amit Bashyal , Aashwin Basnet , Ayse Bat , Lothar A. T. 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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…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Current AI-driven research in radiology requires resources and expertise that are often inaccessible to small and resource-limited labs. The clinicians who are able to participate in AI research are frequently well-funded, well-staffed, and…

Software Engineering · Computer Science 2021-07-12 Raphael Y. Cohen , Aaron D. Sodickson

Context: The rise of Artificial Intelligence (AI) in software engineering has led to the development of AI-powered test automation tools, promising improved efficiency, reduced maintenance effort, and enhanced defect-detection. However, a…

Software Engineering · Computer Science 2025-05-02 Vahid Garousi , Nithin Joy , Zafar Jafarov , Alper Buğra Keleş , Sevde Değirmenci , Ece Özdemir , Ryan Zarringhalami

Science laboratory automation enables accelerated discovery in life sciences and materials. However, it requires interdisciplinary collaboration to address challenges such as robust and flexible autonomy, reproducibility, throughput,…

AI-powered autonomous experimentation (AI/AE) can accelerate materials discovery but its effectiveness for electronic materials is hindered by data scarcity from lengthy and complex design-fabricate-test-analyze cycles. Unlike experienced…