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gaussian-process-optimisation

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The STK is a (not so) Small Toolbox for Kriging. Its primary focus is on the interpolation/regression technique known as kriging, which is very closely related to Splines and Radial Basis Functions, and can be interpreted as a non-parametric Bayesian method using a Gaussian Process (GP) prior.

  • Updated Jan 13, 2026
  • MATLAB

Automated tuning of SUPERSTRUCTURE’s Thomas-Fermi scaling parameters against NIST energy levels using a Gaussian-process surrogate optimiser. Works for any ion, makes level labels consistent with NIST, checks A-values and lifetimes against NIST, NORAD and measured values, and writes NORAD-format tables.

  • Updated Oct 10, 2026
  • Python

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