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06/15/2023
Second order quantitative bounds for unadjusted generalized Hamiltonian Monte Carlo
This paper provides a convergence analysis for generalized Hamiltonian M...
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05/14/2023
Fixing the flux: A dual approach to computing transport coefficients
We present a method to compute transport coefficients in molecular dynam...
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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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03/06/2023
Extending the regime of linear response with synthetic forcings
Transport coefficients, such as the mobility, thermal conductivity and s...
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11/19/2022
Error estimates and variance reduction for nonequilibrium stochastic dynamics
Equilibrium properties in statistical physics are obtained by computing ...
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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
Martingale product estimators for sensitivity analysis in computational statistical physics
We introduce a new class of estimators for the linear response of steady...
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07/30/2021
Uniform minorization condition and convergence bounds for discretizations of kinetic Langevin dynamics
We study the convergence in total variation and V-norm of discretization...
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05/21/2021
Removing the mini-batching error in Bayesian inference using Adaptive Langevin dynamics
The computational cost of usual Monte Carlo methods for sampling a poste...
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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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03/20/2020
Multiple projection MCMC algorithms on submanifolds
We propose new Markov Chain Monte Carlo algorithms to sample probability...
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10/06/2019
Convergence of the likelihood ratio method for linear response of non-equilibrium stationary states
We consider numerical schemes for computing the linear response of stead...
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08/25/2019
Hypocoercivity properties of adaptive Langevin dynamics
Adaptive Langevin dynamics is a method for sampling the Boltzmann-Gibbs ...
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08/25/2019