Fig. 4: Designing an acquisition strategy for the specific goal of finding a library of monodisperse nanoparticles.
From: Targeted materials discovery using Bayesian algorithm execution
The desired property specifications are: radius ∈ [6.5, 10, 15, 17.5, 20, 30] ± 0.5 nm and polydispersity < 5%; results are presented for a 1% and b 5% noise on the normalized measured properties. BAX strategies, which take into account the user goal, outperform US, RS and EHVI for the \({\mathsf{Number}}\,\)\({\mathsf{Obtained}}\) metric. SwitchBAX samples more densely in the target region relative to US, highlighting the effectiveness of goal-aware sampling.
