Strengths and weaknesses of parallel tempering.

نویسنده

J Machta

چکیده

Parallel tempering, also known as replica exchange Monte Carlo, is studied in the context of two simple free-energy landscapes. The first is a double-well potential defined by two macrostates separated by a barrier. The second is a "golf course" potential defined by microstates having two possible energies with exponentially more high-energy states than low-energy states. The equilibration time for replica exchange is analyzed for both systems. For the double-well system, parallel tempering with a number of replicas that scales as the square root of the barrier height yields exponential speedup of the equilibration time. On the other hand, replica exchange yields only marginal speedup for the golf course system. For the double-well system, the free-energy difference between the two wells has a large effect on the equilibration time. Nearly degenerate wells equilibrate much more slowly than strongly asymmetric wells. It is proposed that this difference in equilibration time may lead to a bias in measuring overlaps in spin glasses. These examples illustrate the strengths and weaknesses of replica exchange and may serve as a guide for understanding and improving the method in various applications.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Generalized Ensemble Simulations for Complex Systems

The most efficient MC weights for the calculation of physical, canonical expectation values are not necessarily those of the canonical ensemble. The use of suitably generalized ensembles can lead to a much faster convergence of the simulation. Although not realized by nature, these ensembles can be implemented on computers. In recent years generalized ensembles have in particular been studied f...

متن کامل

Strengths and Weaknesses of Clinical Education Settings from the Viewpoint of Midwifery Students and Educators of Tabriz University of Medical Sciences

Background: Achieving a desirable clinical education requires continuous assessment of the current situations in clinical education and identifying the strengths and weaknesses. This study aimed to assess the strengths and weaknesses of the clinical education fields. Methods: This is a cross-sectional and descriptive study in which the strengths and weaknesses of clinical education settings wer...

متن کامل

Self-Assessment as a New Challenge in Iranian Context: Its Strengths and Weaknesses

متن کامل

Universal Health Coverage in Iran: A Review of Strengths, Weaknesses, Opportunities, and Threats

Background: Universal health coverage (UHC) aims to provide access to basic health services with no financial constraints. In Iran, the major challenges to the implementation of the UHC plan include aggregation and augmentation of resources, something which could threaten the dimension of population coverage and health service delivery. Therefore, this study reviews the strengths and weaknesses...

متن کامل