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Doubt about why using ProBiS
I find in the paper that ProBis is used to avoid highly-similar target appear both in TRAIN and TEST files. But what is the point of totally avoiding the test-set has similar target with train-set? I argue that it would make the evaluation on test more difficult than it should be.
I mean, does other scoring functions use the same methods to train model? If not, how could you contrast gnina with them?
The goal is to be able to generalize to new targets.