Closing the loop: autonomous experiments enabled by machine-learning-based online data analysis in synchrotron beamline environments

Autor: Linus Pithan, Vladimir Starostin, David Mareček, Lukas Petersdorf, Constantin Völter, Valentin Munteanu, Maciej Jankowski, Oleg Konovalov, Alexander Gerlach, Alexander Hinderhofer, Bridget Murphy, Stefan Kowarik, Frank Schreiber
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Journal of Synchrotron Radiation, Vol 30, Iss 6, Pp 1064-1075 (2023)
Druh dokumentu: article
ISSN: 1600-5775
16005775
DOI: 10.1107/S160057752300749X
Popis: Recently, there has been significant interest in applying machine-learning (ML) techniques to the automated analysis of X-ray scattering experiments, due to the increasing speed and size at which datasets are generated. ML-based analysis presents an important opportunity to establish a closed-loop feedback system, enabling monitoring and real-time decision-making based on online data analysis. In this study, the incorporation of a combined one-dimensional convolutional neural network (CNN) and multilayer perceptron that is trained to extract physical thin-film parameters (thickness, density, roughness) and capable of taking into account prior knowledge is described. ML-based online analysis results are processed in a closed-loop workflow for X-ray reflectometry (XRR), using the growth of organic thin films as an example. Our focus lies on the beamline integration of ML-based online data analysis and closed-loop feedback. Our data demonstrate the accuracy and robustness of ML methods for analyzing XRR curves and Bragg reflections and its autonomous control over a vacuum deposition setup.
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