AI RESEARCH

Property-Guided Molecular Generation and Optimization via Latent Flows

arXiv CS.LG

ArXi:2603.26889v1 Announce Type: new Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. While recent generative models provide continuous latent representations of chemical space, targeted optimization within these representations often leads to degraded validity, loss of structural fidelity, or unstable behavior. We