Comparison with other approaches to improve model predictions. For the DRD2 bioactivity use case, we compare our approach against the same baselines. Additionally, we include a third baseline which corresponds to the generative agent optimizing the DRD2 bioactivity predictor calibrated beforehand using the Platt Table Metrics calculated for the final selections of high-scoring molecules according to the DRD2 activity predictor (> 0.5), multi-objective optimization. For all metrics, we report the mean and standard deviation across 10 different replicates of each experimental run.