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07/12/2023
Reduced basis method for non-symmetric eigenvalue problems: application to the multigroup neutron diffusion equations
In this article, we propose a reduced basis method for parametrized non-...
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03/28/2023
Unbiasing Hamiltonian Monte Carlo algorithms for a general Hamiltonian function
Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo method that ...
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12/20/2022
Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects
We numerically investigate an adaptive version of the parareal algorithm...
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12/20/2022
Using Witten Laplacians to locate index-1 saddle points
We introduce a new stochastic algorithm to locate the index-1 saddle poi...
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05/05/2022
Generative methods for sampling transition paths in molecular dynamics
Molecular systems often remain trapped for long times around some local ...
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11/30/2021
Optimal friction matrix for underdamped Langevin sampling
A systematic procedure for optimising the friction coefficient in underd...
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05/28/2021
Influence of sampling on the convergence rates of greedy algorithms for parameter-dependent random variables
The main focus of this article is to provide a mathematical study of the...
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04/22/2021
Chasing Collective Variables using Autoencoders and biased trajectories
In the last decades, free energy biasing methods have proven to be power...
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08/22/2020
On the Hill relation and the mean reaction time for metastable processes
We illustrate how the Hill relation and the notion of quasi-stationary d...
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07/20/2020
Adaptive force biasing algorithms: new convergence results and tensor approximations of the bias
A modification of the Adaptive Biasing Force method is introduced, in wh...
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03/20/2020
Multiple projection MCMC algorithms on submanifolds
We propose new Markov Chain Monte Carlo algorithms to sample probability...
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12/19/2019
Parareal computation of stochastic differential equations with time-scale separation: a numerical study
The parareal algorithm is known to allow for a significant reduction in ...
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11/15/2018