Fig. 4: Schematic illustration of Bayesian optimization (BO). | npj Computational Materials

Fig. 4: Schematic illustration of Bayesian optimization (BO).

From: Bayesian optimization with adaptive surrogate models for automated experimental design

Fig. 4

Four subplots (a–d) give an example of the sequential automated experimental design using BO. They describe the true unknown function (blue curve), expected improvement (red curve), fitted values using GP (orange curve), 95% confidence interval (orange area), observed samples (black points), and the next experiment design (gray triangle) in each iteration.

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