5 papers
Generative modeling of conditional probability distributions on the level-sets of collective variables
Fatima-Zahrae Akhyar, Wei Zhang, Gabriel Stoltz +1
Given a probability distribution in represented by data, we study in this paper the generative modeling of the corresponding conditional probability distribution…
Efficient Monte Carlo sampling of metastable systems using non-local collective variable updates
Christoph Schönle, Davide Carbone, Marylou Gabrié +2
Monte Carlo simulations are widely used to simulate complex molecular systems, but standard approaches suffer from metastability. Lately, the use of non-local proposal updates in a…
Shape optimization of metastable states
Noé Blassel, Tony Lelièvre, Gabriel Stoltz
The definition of metastable states is an ubiquitous task in the design and analysis of molecular simulations, and is a crucial input in a variety of acceleration methods for the s…
Quantitative low-temperature spectral asymptotics for reversible diffusions in temperature-dependent domains
Noé Blassel, Tony Lelièvre, Gabriel Stoltz
We derive novel low-temperature asymptotics for the spectrum of the infinitesimal generator of the overdamped Langevin dynamics. The novelty is that this operator is endowed with h…
Improving sampling by modifying the effective diffusion
Tony Lelièvre, Régis Santet, Gabriel Stoltz
Markov chain Monte Carlo samplers based on discretizations of (overdamped) Langevin dynamics are commonly used in the Bayesian inference and computational statistical physics liter…