2 papers
cs.LG2026
Generative Molecular Morphing for Flexible-Size Design via Unbalanced Optimal Transport
Malte Franke, Stefan P. Schmid, Zarko Ivkovic +2
The success of generative molecular design hinges on a model's steerability toward high-reward samples. Because many molecular properties are intrinsically linked to molecular size…
cs.LG2026
A Unified Density Operator View of Flow Control and Merging
Riccardo De Santi, Malte Franke, Ya-Ping Hsieh +1
Recent progress in large-scale flow and diffusion models raised two fundamental algorithmic challenges: (i) control-based reward adaptation of pre-trained flows, and (ii) integrati…