Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Matthias Sachs"'
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-14 (2023)
Abstract Data-driven interatomic potentials have emerged as a powerful tool for approximating ab initio potential energy surfaces. The most time-consuming step in creating these interatomic potentials is typically the generation of a suitable trainin
Externí odkaz:
https://doaj.org/article/d489c362933f43cb9cae2310fbada82e
Publikováno v:
Entropy, Vol 19, Iss 12, p 647 (2017)
Langevin dynamics is a versatile stochastic model used in biology, chemistry, engineering, physics and computer science. Traditionally, in thermal equilibrium, one assumes (i) the forces are given as the gradient of a potential and (ii) a fluctuation
Externí odkaz:
https://doaj.org/article/449dcc122e8c4aae95ca68be51fa2252
Data-driven interatomic potentials have emerged as a powerful class of surrogate models for ab initio potential energy surfaces that are able to reliably predict macroscopic properties with experimental accuracy. In generating accurate and transferab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94f2aa4a31442b17c785dfae31e27a58
https://doi.org/10.21203/rs.3.rs-2248548/v1
https://doi.org/10.21203/rs.3.rs-2248548/v1
Publikováno v:
Biometrika
High-dimensional data are routinely collected in many areas. We are particularly interested in Bayesian classification models in which one or more variables are imbalanced. Current Markov chain Monte Carlo algorithms for posterior computation are ine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d62be8efe33659057d39f143950612db
https://doi.org/10.1093/biomet/asaa035
https://doi.org/10.1093/biomet/asaa035
Publikováno v:
SIAM Journal on Applied Mathematics
SIAM Journal on Applied Mathematics, Society for Industrial and Applied Mathematics, 2020, 80 (3), pp.1197-1222. ⟨10.1137/19M1291649⟩
SIAM Journal on Applied Mathematics, 2020, 80 (3), pp.1197-1222. ⟨10.1137/19M1291649⟩
Leimkuhler, B, Sachs, M & Stoltz, G 2020, ' Hypocoercivity properties of adaptive Langevin dynamics ', Siam Journal on Applied Mathematics, vol. 80, no. 3, pp. 1197–1222 . https://doi.org/10.1137/19M1291649
SIAM Journal on Applied Mathematics, Society for Industrial and Applied Mathematics, 2020, 80 (3), pp.1197-1222. ⟨10.1137/19M1291649⟩
SIAM Journal on Applied Mathematics, 2020, 80 (3), pp.1197-1222. ⟨10.1137/19M1291649⟩
Leimkuhler, B, Sachs, M & Stoltz, G 2020, ' Hypocoercivity properties of adaptive Langevin dynamics ', Siam Journal on Applied Mathematics, vol. 80, no. 3, pp. 1197–1222 . https://doi.org/10.1137/19M1291649
International audience Adaptive Langevin dynamics is a method for sampling the Boltzmann-Gibbs distribution at prescribed temperature in cases where the potential gradient is subject to stochastic perturbation of unknown magnitude. The method replace
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2c07164f37ad2fab687f0cad4d65186
https://doi.org/10.1137/19m1291649
https://doi.org/10.1137/19m1291649
Publikováno v:
Constructive Approximation. 51:27-48
We discuss the classical problem of how to pick N weighted points on a d-dimensional manifold so as to obtain a reasonable quadrature rule $$\begin{aligned} \frac{1}{|M|}\int _{M}{f(x) \mathrm{d}x} \simeq \sum _{n=1}^{N}{a_i f(x_i)}. \end{aligned}$$T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7a68ba0ece5d4c80118f6b7a48d1a5fa
https://doi.org/10.1007/s00365-019-09471-4
https://doi.org/10.1007/s00365-019-09471-4
Autor:
Benedict Leimkuhler, Matthias Sachs
We study the design and implementation of numerical methods to solve the generalized Langevin equation (GLE) focusing on canonical sampling properties of numerical integrators. For this purpose, we cast the GLE in an extended phase space formulation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34491d8a9cfa3684f301d5f6979446b0
http://arxiv.org/abs/2012.04245
http://arxiv.org/abs/2012.04245
Autor:
Omar Acosta Ruiz, Monica Ancira-Moreno, Isabel Omaña-Guzmán, Sonia Hernández Cordero, Arturo Cuauhtémoc Bautista Morales, Cecilia Pérez Navarro, Soraya Burrola Méndez, Eric Monterrubio Flores, Alejandra Trejo, Martha Kaufer-Horwitz, Ariana Cajero, Belén Sánchez, Constanza Bernat, Elder Salgado-Amador, Elizabeth Hoyos-Loya, Mónica Mazariegos, Cinthya Muñoz Manrique, Royer Pacheco Cruz, Elvia Mendoza, Mauro Brero, Matthias Sachse, Fernanda Cobo Armijo
Publikováno v:
International Journal for Equity in Health, Vol 23, Iss 1, Pp 1-15 (2024)
Abstract Background Maternal and child malnutrition represents a public health problem in Mexico Primary care (PC) is responsible for introducing women and children under five to the health system, detecting diseases on time, and providing medical se
Externí odkaz:
https://doaj.org/article/85b29afcbbaa4d2aaf162173070df19a
An intriguing new class of piecewise deterministic Markov processes (PDMPs) has recently been proposed as an alternative to Markov chain Monte Carlo (MCMC). In order to facilitate the application to a larger class of problems, we propose a new class
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87b0754931032f1eaffdffae1d18b54e
Autor:
Benedict Leimkuhler, Matthias Sachs
Publikováno v:
Springer Proceedings in Mathematics & Statistics ISBN: 9783030150952
We discuss the ergodic properties of quasi-Markovian stochastic differential equations, providing general conditions that ensure existence and uniqueness of a smooth invariant distribution and exponential convergence of the evolution operator in suit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef52d9fc7b419d2159784180323bf634
https://doi.org/10.1007/978-3-030-15096-9_8
https://doi.org/10.1007/978-3-030-15096-9_8