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cs.LG2026
Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
Sanya Murdeshwar, Sanjit Shashi, Kevin Bachelor +3
Coarse-grained (CG) molecular dynamics enables simulations of atomic systems such as biomolecules at timescales inaccessible to all-atom (AA) methods, but existing CG neural potent…
cs.LG2026
Holographic generative flows with AdS/CFT
Ehsan Mirafzali, Sanjit Shashi, Sanya Murdeshwar +3
Holography, in the form of the anti-de Sitter/conformal field theory (AdS/CFT) correspondence, offers a natural setting for generative modelling. Data on a boundary manifold lifts…