16 citations · 17 across the 11 of their papers we have counts for
13 papers
The narrow escape problem in arbitrary dimension
Louis Carillo, Tony Lelièvre, Thomas Normand +2
The narrow escape problem is a prototypical example for studying entropic metastability, motivated by the analysis of biological and chemical systems. The problem concerns the dete…
Approximating committor functions: Objective functions and training data sampling
Thomas Pigeon, Gabriel Stoltz, Tony Lelièvre
Many molecular dynamics simulations aim at studying transitions between two states (from reactants to products). In this context, the committor function (which gives for a given mo…
Adaptive Momentum and Nonlinear Damping for Neural Network Training
Aikaterini Karoni, Rajit Rajpal, Benedict Leimkuhler +1
Momentum Stochastic Gradient Descent (mSGD) relies on a fixed momentum coefficient shared across all parameters, failing to account for the heterogeneous structure of modern loss l…
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…
Sampling metastable systems using collective variables and Jarzynski-Crooks paths
Christoph Schönle, Marylou Gabrié, Tony Lelièvre +1
We consider the problem of sampling a high dimensional multimodal target probability measure. We assume that a good proposal kernel to move only a subset of the degrees of freedoms…
Optimizing the diffusion coefficient of overdamped Langevin dynamics
Tony Lelièvre, Grigorios A. Pavliotis, Geneviève Robin +2
Overdamped Langevin dynamics are reversible stochastic differential equations which are commonly used to sample probability measures in high-dimensional spaces, such as the ones ap…
A spectral approach to the narrow escape problem in the disk
Tony Lelièvre, Mohamad Rachid, Gabriel Stoltz
We study the narrow escape problem in the disk, which consists in identifying the first exit time and first exit point distribution of a Brownian particle from the ball in dimensio…
Langevin dynamics with space-time periodic nonequilibrium forcing
R. Joubaud, G. Pavliotis, G. Stoltz
We present results on the ballistic and diffusive behavior of the Langevin dynamics in a periodic potential that is driven away from equilibrium by a space-time periodic driving fo…
Efficiency of the Wang-Landau algorithm: a simple test case
G. Fort, B. Jourdain, E. Kuhn +2
We analyze the efficiency of the Wang-Landau algorithm to sample a multimodal distribution on a prototypical simple test case. We show that the exit time from a metastable state is…