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stat.ML2026
Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Models
Yu Xie, Ludwig Winkler, Lixin Sun +10
The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioE…
stat.ML2024
Time-Reversible Bridges of Data with Machine Learning
Ludwig Winkler
The analysis of dynamical systems is a fundamental tool in the natural sciences and engineering. It is used to understand the evolution of systems as large as entire galaxies and a…
stat.ML2024
Bridging discrete and continuous state spaces: Exploring the Ehrenfest process in time-continuous diffusion models
Ludwig Winkler, Lorenz Richter, Manfred Opper
Generative modeling via stochastic processes has led to remarkable empirical results as well as to recent advances in their theoretical understanding. In principle, both space and…