Fine-tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm

Sapronov, A.A.; Doronkin, D.E.; Grunwaldt, J.-D.

doi:10.1107/S1600577526006430

Figure 6
Objective function landscape plots for the BO algorithm for the Ni APS sample fitted with L2 normalized distance. The stars denote the best parameter values found during the optimization.

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 33| Part 5| September 2026| Pages 1455-1466

https://doi.org/10.1107/S1600577526006430

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