LSD extends speculative sampling to second-order Langevin dynamics, achieving 3-9x speedup in MD while exactly sampling from the target distribution without relative error.
How Concerted Are Ionic Hops in Inorganic Solid - State Electrolytes ? Journal of the American Chemical Society, 146 0 (12): 0 8269--8279, March 2024
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Speculative Sampling For Faster Molecular Dynamics
LSD extends speculative sampling to second-order Langevin dynamics, achieving 3-9x speedup in MD while exactly sampling from the target distribution without relative error.