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Conjugate gradient heat bath for ill-conditioned actions

Ceriotti, M.
•
Bussi, G.
•
Parrinello, M.
2007
  • journal article

Periodico
PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS
Abstract
We present a method for performing sampling from a Boltzmann distribution of an ill-conditioned quadratic action. This method is based on heat-bath thermalization along a set of conjugate directions, generated via a conjugate-gradient procedure. The resulting scheme outperforms local updates for matrices with very high condition number, since it avoids the slowing down of modes with lower eigenvalue, and has some advantages over the global heat-bath approach, compared to which it is more stable and allows for more freedom in devising case-specific optimizations.
DOI
10.1103/PhysRevE.76.026707
WOS
WOS:000249154700082
Archivio
http://hdl.handle.net/20.500.11767/17410
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-34548415033
https://arxiv.org/abs/0803.4444
Diritti
closed access
Soggetti
  • Settore FIS/03 - Fisi...

Web of Science© citazioni
1
Data di acquisizione
Mar 18, 2024
Visualizzazioni
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Data di acquisizione
Apr 19, 2024
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