The rapid development of computation power and machine learning algorithms has paved the way for automating scientific discovery with a scanning probe microscope (SPM). The key elements toward operationalization of the automated SPM are the interface to enable SPM control from Python codes, availability of high computing power, and development of workflows for scientific discovery. Here, we build a Python interface library that enables controlling an SPM from either a local computer or a remote high-performance computer, which satisfies the high computation power need of machine learning algorithms in autonomous workflows. We further introduce a general platform to abstract the operations of SPM in scientific discovery into fixed-policy or reward-driven workflows. Our work provides a full infrastructure to build automated SPM workflows for both routine operations and autonomous scientific discovery with machine learning.
Skip Nav Destination
Article navigation
September 2024
Research Article|
September 16 2024
Integration of scanning probe microscope with high-performance computing: Fixed-policy and reward-driven workflows implementation
Yu Liu
;
Yu Liu
a)
(Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Visualization, Writing – original draft, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Tennessee
, Knoxville, Tennessee 37996, USA
Search for other works by this author on:
Utkarsh Pratiush
;
Utkarsh Pratiush
(Software)
1
Department of Materials Science and Engineering, University of Tennessee
, Knoxville, Tennessee 37996, USA
Search for other works by this author on:
Jason Bemis
;
Jason Bemis
(Software, Writing – review & editing)
2
Oxford Instruments Asylum Research
, Santa Barbara, California 93117, USA
Search for other works by this author on:
Roger Proksch
;
Roger Proksch
(Resources, Software, Writing – review & editing)
2
Oxford Instruments Asylum Research
, Santa Barbara, California 93117, USA
Search for other works by this author on:
Reece Emery
;
Reece Emery
(Resources)
1
Department of Materials Science and Engineering, University of Tennessee
, Knoxville, Tennessee 37996, USA
Search for other works by this author on:
Philip D. Rack
;
Philip D. Rack
(Resources, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Tennessee
, Knoxville, Tennessee 37996, USA
Search for other works by this author on:
Yu-Chen Liu;
Yu-Chen Liu
(Resources)
3
Department of Physics, National Cheng Kung University
, Tainan 70101, Taiwan
Search for other works by this author on:
Jan-Chi Yang
;
Jan-Chi Yang
(Resources)
3
Department of Physics, National Cheng Kung University
, Tainan 70101, Taiwan
Search for other works by this author on:
Stanislav Udovenko
;
Stanislav Udovenko
(Resources)
4
Materials Science and Engineering Department, Materials Research Institute, the Pennsylvania State University
, University Park, Pennsylvania 16802, USA
Search for other works by this author on:
Susan Trolier-McKinstry
;
Susan Trolier-McKinstry
(Resources, Writing – review & editing)
4
Materials Science and Engineering Department, Materials Research Institute, the Pennsylvania State University
, University Park, Pennsylvania 16802, USA
Search for other works by this author on:
Sergei V. Kalinin
Sergei V. Kalinin
a)
(Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Software, Supervision, Writing – original draft, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Tennessee
, Knoxville, Tennessee 37996, USA
5
Physical Sciences Division, Pacific Northwest National Laboratory
, Richland, Washington 99354, USA
Search for other works by this author on:
Rev. Sci. Instrum. 95, 093701 (2024)
Article history
Received:
May 21 2024
Accepted:
August 28 2024
Citation
Yu Liu, Utkarsh Pratiush, Jason Bemis, Roger Proksch, Reece Emery, Philip D. Rack, Yu-Chen Liu, Jan-Chi Yang, Stanislav Udovenko, Susan Trolier-McKinstry, Sergei V. Kalinin; Integration of scanning probe microscope with high-performance computing: Fixed-policy and reward-driven workflows implementation. Rev. Sci. Instrum. 1 September 2024; 95 (9): 093701. https://doi.org/10.1063/5.0219990
Download citation file:
Sign in
Don't already have an account? Register
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Pay-Per-View Access
$40.00
107
Views
Citing articles via
Learning from each other: Cross-cutting diagnostic development activities between magnetic and inertial confinement fusion (invited)
M. Gatu Johnson, D. Schlossberg, et al.
Subharmonic lock-in detection and its optimization for femtosecond noise correlation spectroscopy
M. A. Weiss, F. S. Herbst, et al.
Related Content
Realizing smart scanning transmission electron microscopy using high performance computing
Rev. Sci. Instrum. (October 2024)
Design strategy for a dual-wedge prism imaging spectrometer in spectroscopic nanoscopy
Rev. Sci. Instrum. (February 2023)
Image shift correction, noise analysis, and model fitting of (cathodo-)luminescence hyperspectral maps
Rev. Sci. Instrum. (May 2022)