2 papers
cs.LG2026
Sample Efficient Generative Molecular Optimization with Joint Self-Improvement
Serra Korkmaz, Adam Izdebski, Jonathan Pirnay +5
Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yiel…
cs.LG2025
Synergistic Benefits of Joint Molecule Generation and Property Prediction
Adam Izdebski, Jan Olszewski, Pankhil Gawade +5
Modeling the joint distribution of data samples and their properties allows to construct a single model for both data generation and property prediction, with synergistic benefits…