Langevin Flow Maps: auxiliary objective for faster, stabler ML force field sims
Niklas_TR · x · 2026-10-17
To fix MLFF throughput and stability issues ("forces are not enough"), the authors propose Langevin Flow Maps: an auxiliary training objective where, conditioned on step size and a polynomial Brownian path approximation, the model predicts forces and velocities at a future state under Langevin dynamics.
Related event: Langevin Flow Maps: Neural Network Potentials Learn Their Own Integrator(10 posts)→
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