Konstantin Fackeldey

Closed-Loop Generative Selection: Convergence, Memory, and Noisy Oracles

Konstantin Fackeldey, Christof Schütte

Closed-loop generative selection has become a workhorse of computational drug discovery: a learned generative model proposes candidate molecules, a fitness oracle scores them, the best are kept, and the model is retrained on this elite set before the next round. Despite its wide…Read more