AlabOS: A Python-based Reconfigurable Workflow Management Framework for Autonomous Laboratories

Fuente: arXiv
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Main Authors: Fei, Yuxing, Rendy, Bernardus, Kumar, Rishi, Dartsi, Olympia, Sahasrabuddhe, Hrushikesh P., McDermott, Matthew J., Wang, Zheren, Szymanski, Nathan J., Walters, Lauren N., Milsted, David, Zeng, Yan, Jain, Anubhav, Ceder, Gerbrand
Format: Preprint
Published: 2024
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author Fei, Yuxing
Rendy, Bernardus
Kumar, Rishi
Dartsi, Olympia
Sahasrabuddhe, Hrushikesh P.
McDermott, Matthew J.
Wang, Zheren
Szymanski, Nathan J.
Walters, Lauren N.
Milsted, David
Zeng, Yan
Jain, Anubhav
Ceder, Gerbrand
author_facet Fei, Yuxing
Rendy, Bernardus
Kumar, Rishi
Dartsi, Olympia
Sahasrabuddhe, Hrushikesh P.
McDermott, Matthew J.
Wang, Zheren
Szymanski, Nathan J.
Walters, Lauren N.
Milsted, David
Zeng, Yan
Jain, Anubhav
Ceder, Gerbrand
contents The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand for robust and efficient workflow management software becomes increasingly critical. In this paper, we introduce AlabOS, a general-purpose software framework for orchestrating experiments and managing resources, with an emphasis on automated laboratories for materials synthesis and characterization. AlabOS features a reconfigurable experiment workflow model and a resource reservation mechanism, enabling the simultaneous execution of varied workflows composed of modular tasks while eliminating conflicts between tasks. To showcase its capability, we demonstrate the implementation of AlabOS in a prototype autonomous materials laboratory, A-Lab, with around 3,500 samples synthesized over 1.5 years.
format Preprint
id arxiv_https___arxiv_org_abs_2405_13930
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle AlabOS: A Python-based Reconfigurable Workflow Management Framework for Autonomous Laboratories
Fei, Yuxing
Rendy, Bernardus
Kumar, Rishi
Dartsi, Olympia
Sahasrabuddhe, Hrushikesh P.
McDermott, Matthew J.
Wang, Zheren
Szymanski, Nathan J.
Walters, Lauren N.
Milsted, David
Zeng, Yan
Jain, Anubhav
Ceder, Gerbrand
Materials Science
Robotics
Software Engineering
The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand for robust and efficient workflow management software becomes increasingly critical. In this paper, we introduce AlabOS, a general-purpose software framework for orchestrating experiments and managing resources, with an emphasis on automated laboratories for materials synthesis and characterization. AlabOS features a reconfigurable experiment workflow model and a resource reservation mechanism, enabling the simultaneous execution of varied workflows composed of modular tasks while eliminating conflicts between tasks. To showcase its capability, we demonstrate the implementation of AlabOS in a prototype autonomous materials laboratory, A-Lab, with around 3,500 samples synthesized over 1.5 years.
title AlabOS: A Python-based Reconfigurable Workflow Management Framework for Autonomous Laboratories
topic Materials Science
Robotics
Software Engineering
url https://arxiv.org/abs/2405.13930