Journal:NIMS-OS: An automation software to implement a closed loop between artificial intelligence and robotic experiments in materials science
| Full article title | NIMS-OS: An automation software to implement a closed loop between artificial intelligence and robotic experiments in materials science |
|---|---|
| Journal | Science and Technology of Advanced Materials: Methods |
| Author(s) | Tamura, Ryo; Tsuda, Koji; Matsuda, Shoichi |
| Author affiliation(s) | The University of Tokyo, National Institute for Materials Science |
| Primary contact | Email: tamura dot ryo at nims dot go dot jp |
| Year published | 2023 |
| Volume and issue | 3(1) |
| Article # | 2232297 |
| DOI | 10.1080/27660400.2023.2232297 |
| ISSN | 2766-0400 |
| Distribution license | Creative Commons Attribution 4.0 International |
| Website | https://www.tandfonline.com/doi/full/10.1080/27660400.2023.2232297 |
| Download | https://www.tandfonline.com/doi/pdf/10.1080/27660400.2023.2232297 (PDF) |
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This article should be considered a work in progress and incomplete. Consider this article incomplete until this notice is removed. |
Abstract
NIMS-OS (NIMS Orchestration System) is a Python library created to realize a closed loop of robotic experiments and artificial intelligence (AI) without human intervention for automated materials exploration. It uses various combinations of modules to operate autonomously. Each module acts as an AI for materials exploration or a controller for a robotic experiments. As AI techniques, optimization tools for PHYSics based on Bayesian Optimization (PHYSBO), BoundLess Objective-free eXploration (BLOX), phase diagram construction (PDC), and random exploration (RE) methods can be used. Moreover, a system called NIMS Automated Robotic Electrochemical Experiments (NAREE) is available as a set of robotic experimental equipment. Visualization tools for the results are also included, which allows users to check the optimization results in real time. Newly created modules for AI and robotic experiments can be added easily to extend the functionality of the system. In addition, we developed a graphical user inferface (GUI)-driven application to control NIMS-OS. To demonstrate the operation of NIMS-OS, we consider an automated exploration for new electrolytes. NIMS-OS is available at https://github.com/nimsos-dev/nimsos.
Keywords: NIMS-OS, robotic experiments, artificial intelligence, electrochemistry, materials informatics
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This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added. In the original, there are multiple instances of citing research work using the last name of the last author listed, rather than the last name of the first author listed; this may have been a product of Japanese culture tending to read text from right to left. For this version, the last name of the first author was used to be consistent with research norms.
