activity
20152026
most citedLearning molecular energies using localized graph kernels

67 citations · 162 across the 5 of their papers we have counts for

collaborators

7 papers

stat.ML2026

Probing the Geometry of Diffusion Models with the String Method

Elio Moreau, Florentin Coeurdoux, Grégoire Ferre +1

Understanding the geometry of learned distributions is fundamental to improving and interpreting diffusion models, yet systematic tools for exploring their landscape remain limited…

math.PR2019

Large deviations of empirical measures of diffusions in weighted topologies

Grégoire Ferré, Gabriel Stoltz

We consider large deviations of empirical measures of diffusion processes. In a first part, we present conditions to obtain a large deviations principle (LDP) for a precise class o…

math.PR2018★ 14 cited

Simulating Coulomb gases and log-gases with hybrid Monte Carlo algorithms

Djalil Chafaï, Grégoire Ferré

Coulomb and log-gases are exchangeable singular Boltzmann-Gibbs measures appearing in mathematical physics at many places, in particular in random matrix theory. We explore experim…

cond-mat.stat-mech2018★ 48 cited

Adaptive sampling of large deviations

Grégoire Ferré, Hugo Touchette

We introduce and test an algorithm that adaptively estimates large deviation functions characterizing the fluctuations of additive functionals of Markov processes in the long-time…

math.NA2017

Error estimates on ergodic properties of discretized Feynman-Kac semigroups

Grégoire Ferré, Gabriel Stoltz

We consider the numerical analysis of the time discretization of Feynman-Kac semigroups associated with diffusion processes. These semigroups naturally appear in several fields, su…

physics.comp-ph2016★ 67 cited

Learning molecular energies using localized graph kernels

G. Ferré, T. Haut, K. Barros

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab-initio calculations) and at…

cond-mat.mtrl-sci2015★ 33 cited

Permutation-invariant distance between atomic configurations

Gregoire Ferre, Jean-Bernard Maillet, Gabriel Stoltz

We present a permutation-invariant distance between atomic configurations, defined through a functional representation of atomic positions. This distance enables to directly compar…