AdsorbML clarifications

I have a few questions regarding AdsorbML.

First, when using this method on a new surface-adsorbate combination, could you please clarify how many total ML relaxations are conducted before being downselected to the best k? And do you think this choice could influence the optimal k?

I’m also a little confused as to the meaning of the Heuristic+Random ratios. Does this percentage refer to the number of heuristic configurations that have been randomly perturbed? For example, when it mentions “heuristic + 80% random DFT” in the paper, does this mean that 80% of the heuristic configurations have been randomly perturbed? I hope I’m not missing something obvious here.

Thanks!