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Figure 6
Negative cross-validation log likelihood reduction during hyperparameter optimization for the simulated grain presented in Figs. 4[link] and 5[link]. Optimization was conducted using the L-BFGS-B algorithm as implemented in SciPy with a maximum of ten line-search steps per iteration. Gradients were computed using automatic differentiation as implemented in PyTorch.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 4| August 2021| Pages 1057-1070
https://doi.org/10.1107/S1600576721005112
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