2 citations · 3 across the 7 of their papers we have counts for
3 papers · 1 filter
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…
Analyzing Raman Spectral Data without Separability Assumption
Konstantin Fackeldey, Jonas Röhm, Amir Niknejad +2
Raman spectroscopy is a well established tool for the analysis of vibration spectra, which then allow for the determination of individual substances in a chemical sample, or for th…
Computing the minimal rebinding effect for non-reversible processes
Susanne Röhl, Marcus Weber, Konstantin Fackeldey
The aim of this paper is to investigate the rebinding effect, a phenomenon describing a "short-time memory" which can occur when projecting a Markov process onto a smaller state sp…