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cond-mat.mtrl-sci2026
Synthesizing like a chemist: an iterative, feedback-driven loop for materials discovery
Fang Sheng, Steven B. Torrisi, Amanda Volk +4
Most computationally predicted materials are never synthesized because conventional synthesis optimization is slow, expertise-dependent, and iterative. Here we present a closed-loo…
cs.LG2026
How Molecular Generative Models Organize Molecular Identity
Raul Ortega-Ochoa, Tejs Vegge, Jens S. Bakander +3
Generative models for matter are often evaluated as samplers over output representations, and their latent spaces are commonly used as proxies for navigating chemical space. Much l…