Fig. 6

Boxplots of the \(k^{th}\) neighbor normalized sensitivities \(\mathcal {S}_k\) for \(k\in [1, \dots ,5]\). Each boxplot summarizes a sample of 1100 structures extracted uniformly from all the fine-tuning test sets (50 structures for each of the 22 tasks). We report this quantity for all studied pretraining strategies, and also for the models trained from scratch. The whiskers cover the values from the 15th percentile to the 85th for better visualization of trends. Outliers are excluded for the same reason