Fig. 3: qNEHVI-BO and EGBO performance on the self-driving AgNP synthesis platform. | npj Computational Materials

Fig. 3: qNEHVI-BO and EGBO performance on the self-driving AgNP synthesis platform.

From: Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs

Fig. 3

Optimization trajectory of (a) qNEHVI-BO and (b) EGBO from initialization (blue) to the 15th iteration (purple). The final HV is highlighted in cyan. Non-dominated points are represented by squares. For each optimizer, three non-dominated points are chosen (purple/pink arrows) to highlight the diversity of final absorbance spectra (coloured solid lines) compared to the target spectrum (grey dashed line) and time evolution of the reaction rate (coloured solid lines) obtained over the PF. c Evolution of the performance metrics for qNEHVI-BO (blue) and EGBO (orange solid) with the number of iterations. The percentage of infeasible points in the whole decision space is represented as a grey dashed line.

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