2 papers
physics.chem-ph2026
Unsupervised Thermodynamics of Molecular Diffusion Models: Action-Operator Semantics and Auditable Free-Energy Readout
Wenjie Xi
Diffusion models are increasingly utilized for modeling molecular structures and conformational ensembles, yet the thermodynamic meaning of their learned representations and scores…
cond-mat.dis-nn2026
Autonomous Emergence of Hamiltonian in Deep Generative Models
Wenjie Xi, Wei-Qiang Chen
The unprecedented predictive success of deep generative models in complex many-body systems, such as AlphaFold 3, raises an epistemological question: do these networks merely memor…