Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Pierre Monmarché"'
Autor:
Pierre Monmarché
Publikováno v:
Stochastic Processes and their Applications. 161:316-349
Autor:
Pierre Monmarché
Publikováno v:
Annales mathématiques Blaise Pascal. 29:295-306
Autor:
Lucas Journel, Pierre Monmarché
We introduce and investigate stochastic processes designed to find local minimizers and saddle points of non-convex functions, exploring the landscape more efficiently than the standard noisy gradient descent. The processes switch between two behavio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e21a8d2de0be3a71294ad8d0689a4e9
http://arxiv.org/abs/2303.13160
http://arxiv.org/abs/2303.13160
Publikováno v:
Annals of Applied Probability
Annals of Applied Probability, 2022, 32 (5), ⟨10.1214/21-AAP1775⟩
Annals of Applied Probability, 2022, 32 (5), ⟨10.1214/21-AAP1775⟩
International audience We analyze and propose variants of the Adaptive Biasing Force method. First, we prove the convergence of a version of the algorithm where the biasing force is estimated using a weighted occupation measure, with an explicit asym
Publikováno v:
Stochastic Processes and their Applications. 131:276-291
We use a localization procedure to weaken the growth assumptions of Royer (1989), Miclo (1992) and Zitt (2008) concerning the continuous-time simulated annealing in R d . We show that a transition occurs for potentials growing like a log log | x | at
Autor:
Frédéric Célerse, Théo Jaffrelot Inizan, Louis Lagardère, Olivier Adjoua, Pierre Monmarché, Yinglong Miao, Etienne Derat, Jean-Philip Piquemal
Publikováno v:
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, 2022, 18 (2), pp.968-977. ⟨10.1021/acs.jctc.1c01024⟩
Journal of Chemical Theory and Computation, 2022, 18 (2), pp.968-977. ⟨10.1021/acs.jctc.1c01024⟩
We introduce a novel multilevel enhanced sampling strategy grounded on Gaussian-accelerated Molecular Dynamics (GaMD). First, we propose a GaMD multi-GPUs-accelerated implementation within the Tinker-HP molecular dynamics package. We introduce the ne
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15687d14160af574ed9c81bf22929bb9
https://hal.science/hal-03360596
https://hal.science/hal-03360596
Autor:
Hadrien Vroylandt, Pierre Monmarché
Generalized Langevin equations with non-linear forces and position-dependent linear friction memory kernels, such as commonly used to describe the effective dynamics of coarse-grained variables in molecular dynamics, are rigorously derived within the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dcf4e7306fca0a1e47a8179623e420c5
Autor:
Louis Lagardère, T. Jaffrelot Inizan, Jean-Philip Piquemal, Frédéric Célerse, Y. Miao, Etienne Derat, Pierre Monmarché, Olivier Adjoua
We introduce a novel multi-level enhanced sampling strategy grounded on Gaussian accelerated Molecular Dynamics (GaMD). First, we propose a GaMD multi-GPUs -accelerated implementation within Tinker-HP. For the specific use with the flexible AMOEBA po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6732b0e7ac6742bd9051109d1fcc2f7
https://doi.org/10.33774/chemrxiv-2021-ggjfx
https://doi.org/10.33774/chemrxiv-2021-ggjfx
Publikováno v:
Annales de l'Institut Henri Poincaré (B) Probabilités et Statistiques
Annales de l'Institut Henri Poincaré (B) Probabilités et Statistiques, 2021, 57 (3), pp.1442-1475. ⟨10.1214/20-AIHP1125⟩
Annales de l'Institut Henri Poincaré (B) Probabilités et Statistiques, 2021, 57 (3), ⟨10.1214/20-AIHP1125⟩
Annales de l'Institut Henri Poincaré (B) Probabilités et Statistiques, 2021, 57 (3), pp.1442-1475. ⟨10.1214/20-AIHP1125⟩
Annales de l'Institut Henri Poincaré (B) Probabilités et Statistiques, 2021, 57 (3), ⟨10.1214/20-AIHP1125⟩
International audience; Piecewise Deterministic Markov Processes (PDMPs) are studied in a general framework. First, different constructions are proven to be equivalent. Second, we introduce a coupling between two PDMPs following the same differential
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03cba14091d910863076aa8636a6ad5f
https://hal.science/hal-04052435
https://hal.science/hal-04052435
Publikováno v:
ESAIM: Mathematical Modelling and Numerical Analysis
ESAIM: Mathematical Modelling and Numerical Analysis, 2022, 56 (2), pp.529-564. ⟨10.1051/m2an/2022010⟩
ESAIM: M2AN
ESAIM: M2AN 56 (
ESAIM: Mathematical Modelling and Numerical Analysis, 2022, 56 (2), pp.529-564. ⟨10.1051/m2an/2022010⟩
ESAIM: M2AN
ESAIM: M2AN 56 (
International audience; We propose a study of the Adaptive Biasing Force method's robustness under generic (possibly non-conservative) forces. We first ensure the flat histogram property is satisfied in all cases. We then introduce a fixed point prob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f90dc60985129cf3234de1e3ac234d1e
http://arxiv.org/abs/2102.09957
http://arxiv.org/abs/2102.09957