100 citations · 253 across the 19 of their papers we have counts for
3 papers · 1 filter
A Standardized Benchmark for Machine-Learned Molecular Dynamics using Weighted Ensemble Sampling
Alexander Aghili, Andy Bruce, Daniel Sabo +5
The rapid evolution of molecular dynamics (MD) methods, including machine-learned dynamics, has outpaced the development of standardized tools for method validation. Objective comp…
Malliavin Calculus for Score-based Diffusion Models
Ehsan Mirafzali, Utkarsh Gupta, Patrick Wyrod +3
We introduce a new framework based on Malliavin calculus to derive exact analytical expressions for the score function , i.e., the gradient of the log-density a…
Disease Knowledge Transfer across Neurodegenerative Diseases
Razvan V. Marinescu, Marco Lorenzi, Stefano B. Blumberg +8
We introduce Disease Knowledge Transfer (DKT), a novel technique for transferring biomarker information between related neurodegenerative diseases. DKT infers robust multimodal bio…