4.2 Article

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

Journal

JOURNAL OF SYNCHROTRON RADIATION
Volume 30, Issue -, Pages 1064-1075

Publisher

INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S160057752300749X

Keywords

machine learning; reflectometry; autonomous experiments; beamline control; XRR; closed-loop control

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Recently, there has been a growing interest in applying machine-learning techniques to automated analysis of X-ray scattering experiments. This study describes the incorporation of a combined one-dimensional convolutional neural network and multilayer perceptron for extracting physical thin-film parameters and taking prior knowledge into account. Experimental results demonstrate the accuracy and stability of this method.
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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