Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. The inefficiency of re-weighted sampling and the curse of system size in high-order path integration
 
Loading...
Thumbnail Image
research article

The inefficiency of re-weighted sampling and the curse of system size in high-order path integration

Ceriotti, M.  
•
Brain, G. A. R.
•
Riordan, O.
Show more
2012
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences

Computing averages over a target probability density by statistical re-weighting of a set of samples with a different distribution is a strategy which is commonly adopted in fields as diverse as atomistic simulation and finance. Here we present a very general analysis of the accuracy and efficiency of this approach, highlighting some of its weaknesses. We then give an example of how our results can be used, specifically to assess the feasibility of high-order path integral methods. We demonstrate that the most promising of these techniques-which is based on re-weighted sampling-is bound to fail as the size of the system is increased, because of the exponential growth of the statistical uncertainty in the re-weighted average. © 2011 The Royal Society.

  • Details
  • Metrics
Type
research article
DOI
10.1098/rspa.2011.0413
Author(s)
Ceriotti, M.  
•
Brain, G. A. R.
•
Riordan, O.
•
Manolopoulos, D. E.
Date Issued

2012

Published in
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
Volume

468

Issue

2137

Start page

2

End page

17

Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
COSMO  
Available on Infoscience
July 24, 2013
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/93493
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés