The (R)evolution of Scientific Workflows in the Agentic AI Era: Towards Autonomous Science
- URL: http://arxiv.org/abs/2509.09915v1
- Date: Fri, 12 Sep 2025 01:14:34 GMT
- Title: The (R)evolution of Scientific Workflows in the Agentic AI Era: Towards Autonomous Science
- Authors: Woong Shin, Renan Souza, Daniel Rosendo, Frédéric Suter, Feiyi Wang, Prasanna Balaprakash, Rafael Ferreira da Silva,
- Abstract summary: Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources.<n>Advances in AI leading to AI agents show exciting new opportunities that can accelerate scientific discovery by providing intelligence as a component in the ecosystem.
- Score: 4.2388809624023365
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: 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 exciting new opportunities that can accelerate scientific discovery by providing intelligence as a component in the ecosystem. However, it is unclear how this new capability would materialize and integrate in the real world. To address this, we propose a conceptual framework where workflows evolve along two dimensions which are intelligence (from static to intelligent) and composition (from single to swarm) to chart an evolutionary path from current workflow management systems to fully autonomous, distributed scientific laboratories. With these trajectories in mind, we present an architectural blueprint that can help the community take the next steps towards harnessing the opportunities in autonomous science with the potential for 100x discovery acceleration and transformational scientific workflows.
Related papers
- Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale [82.20980951765891]
We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated Bohrium+SciMaster.<n>Bohrium acts as a managed, traceable hub for AI4S assets that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities.<n>SciMaster orchestrates these capabilities into long-horizon scientific, on which scientific agents can be composed and executed.
arXiv Detail & Related papers (2025-12-23T16:04:41Z) - AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions [65.44445343399126]
We look at AI-enabled science across biology, chemistry, climate science, mathematics, materials science, physics, self-driving laboratories and unconventional computing.<n>Several shared themes emerge: the need for diverse and trustworthy data, transferable electronic-structure and interatomic models, AI systems integrated into end-to-end scientific synthesis.<n>Across domains, we highlight how large foundation models, active learning and self-driving laboratories can close loops between prediction and validation.
arXiv Detail & Related papers (2025-11-26T02:10:28Z) - From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery [90.64813998433253]
Agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement.<n>This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics.
arXiv Detail & Related papers (2025-08-18T05:25:54Z) - Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI [98.19195693735487]
We propose the paradigm of Intelligent Science Laboratories (ISLs)<n>ISLs are a multi-layered, closed-loop framework that deeply integrates cognitive and embodied intelligence.<n>We argue that such systems are essential for overcoming the current limitations of scientific discovery.
arXiv Detail & Related papers (2025-06-24T13:31:44Z) - ScienceBoard: Evaluating Multimodal Autonomous Agents in Realistic Scientific Workflows [82.07367406991678]
Large Language Models (LLMs) have extended their impact beyond Natural Language Processing.<n>Among these, computer-using agents are capable of interacting with operating systems as humans do.<n>We introduce ScienceBoard, which encompasses a realistic, multi-domain environment featuring dynamic and visually rich scientific software.
arXiv Detail & Related papers (2025-05-26T12:27:27Z) - From Automation to Autonomy: A Survey on Large Language Models in Scientific Discovery [67.07598263346591]
Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery.<n>This survey systematically charts this burgeoning field, placing a central focus on the changing roles and escalating capabilities of LLMs in science.
arXiv Detail & Related papers (2025-05-19T15:41:32Z) - SciSciGPT: Advancing Human-AI Collaboration in the Science of Science [7.592219145267612]
Recent advances in large language models (LLMs) and AI agents have opened new possibilities for human-AI collaboration.<n>We introduce SciSciGPT, an open-source, prototype AI collaborator that uses the science of science as a testbed to explore the potential of LLM-powered research tools.
arXiv Detail & Related papers (2025-04-07T23:19:39Z) - Scaling Laws in Scientific Discovery with AI and Robot Scientists [72.3420699173245]
An autonomous generalist scientist (AGS) concept combines agentic AI and embodied robotics to automate the entire research lifecycle.<n>AGS aims to significantly reduce the time and resources needed for scientific discovery.<n>As these autonomous systems become increasingly integrated into the research process, we hypothesize that scientific discovery might adhere to new scaling laws.
arXiv Detail & Related papers (2025-03-28T14:00:27Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.