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 7
Comparison of random search (left) and BO (right) algorithm trials (black dots) while converging to the optimum (red star) plotted for Ni APS sample fitted with L2 normalized distance.

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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