Phase retrieval of highly strained Bragg coherent diffraction patterns using supervised convolutional neural network

In Bragg Coherent Diffraction Imaging (BCDI), Phase Retrieval of highly strained crystals is often challenging with standard iterative algorithms. This computational obstacle limits the potential of the technique as it precludes the reconstruction of physically interesting, highly-strained particles. Here, we propose a novel approach to this problem using a supervised Convolutional Neural Network (CNN) trained on 3D simulated diffraction data to predict the corresponding reciprocal space phase. This method allows to fully exploit the potential of the CNN by mapping functions within the same space and leveraging structural similarities between input and output. The final object is obtained by the inverse Fourier transform of the retrieved complex diffracted amplitude and is then further refined with iterative algorithms. We demonstrate that our model outperforms standard algorithms on highly strained simulated data not included in the training set, as well as on experimental data.

Authors

Institutions

Publication Details

Journal
npj Computational Materials
Published
2026-03-09
DOI
https://doi.org/10.1038/s41524-026-02017-w
Primary Topic
Advanced X-ray Imaging Techniques
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Phase retrieval of highly strained Bragg coherent diffraction patterns using supervised convolutional neural network

S. Leake, Clément Atlan, Matteo Masto, T. U. Schülli et al.
npj Computational Materials
Advanced X-ray Imaging Techniques
article

Phase retrieval of highly strained Bragg coherent diffraction patterns using supervised convolutional neural network

S. Leake, Clément Atlan, Matteo Masto, T. U. Schülli, Ewen Bellec, Marie-Ingrid Richard, Vincent Favre-Nicolin
article en

Abstract

In Bragg Coherent Diffraction Imaging (BCDI), Phase Retrieval of highly strained crystals is often challenging with standard iterative algorithms. This computational obstacle limits the potential of the technique as it precludes the reconstruction of physically interesting, highly-strained particles. Here, we propose a novel approach to this problem using a supervised Convolutional Neural Network (CNN) trained on 3D simulated diffraction data to predict the corresponding reciprocal space phase. This method allows to fully exploit the potential of the CNN by mapping functions within the same space and leveraging structural similarities between input and output. The final object is obtained by the inverse Fourier transform of the retrieved complex diffracted amplitude and is then further refined with iterative algorithms. We demonstrate that our model outperforms standard algorithms on highly strained simulated data not included in the training set, as well as on experimental data.

npj Computational Materials
Institut polytechnique de Grenoble (FR), Centre National de la Recherche Scientifique (FR), Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR), European Synchrotron Radiation Facility (FR), CEA Grenoble (FR), Institut de Recherche Interdisciplinaire de Grenoble (FR), Institut Néel (FR), Université Grenoble Alpes (FR)
Openalex Percentile: Top 25%
Advanced X-ray Imaging Techniques
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.