Issue
Europhys. Lett.
Volume 74, Number 6, June 2006
Page(s) 944 - 950
Section General
DOI http://dx.doi.org/10.1209/epl/i2006-10058-0
Published online 17 May 2006
Europhys. Lett., 74 (6), pp. 944-950 (2006)
DOI: 10.1209/epl/i2006-10058-0

Adaptation in stochastic tunneling global optimization of complex potential energy landscapes

K. Hamacher

Center for Theoretical Biological Physics, University of California at San Diego La Jolla, CA 92093-0374, USA

hamacher@ctbp.ucsd.edu

received 13 February 2006; accepted in final form 24 April 2006
published online 17 May 2006

Abstract
Global optimization remains one of the great challenges in scientific computing. One particular successful approach is the usage of tunneling functions to cross barriers and transition states more easily thus allowing for a fast scan of the potential energy surface under investigation. In this paper we develop for the first time a performance measurement procedure for stochastic tunneling approaches and derive an adaptive algorithm that is steered by this performance measure. The proposed algorithm is based on a scale-free measure and thus applicable to general stochastic optimization schemes. We found for a very hard optimization problem the computational effort to be some order of magnitude lower while at the same time increasing the accuracy by a factor of three.

PACS
02.60.Pn - Numerical optimization.
02.70.Uu - Applications of Monte Carlo methods.
02.50.Ey - Stochastic processes.

© EDP Sciences 2006

What is OpenURL?

The OpenURL standard is a protocol for transmission of metadata describing the resource that you wish to access.

An OpenURL link contains article metadata and directs it to the OpenURL server of your choice. The OpenURL server can provide access to the resource and also offer complementary services (specific search engine, export of references...). The OpenURL link can be generated by different means.

  • If your librarian has set up your subscription with an OpenURL resolver, OpenURL links appear automatically on the abstract pages.
  • You can define your own OpenURL resolver with your EDPS Account.
    In this case your choice will be given priority over that of your library.
  • You can use an add-on for your browser (Firefox or I.E.) to display OpenURL links on a page (see http://www.openly.com/openurlref/). You should disable this module if you wish to use the OpenURL server that you or your library have defined.

A truly international journal

Owned by a partnership of 17 European physical societies, EPL is published under the scientific responsibility of the European Physical Society by EDP Sciences, IOP Publishing and Società Italiana di Fisica. We have brought together our expertise to create a high-quality journal for the international scientific community.

Exploring the frontiers of physics

Our vision is for EPL to become a leading home for global physics letters, to offer rapid publication of ground-breaking physics results from the international community, and to provide the broadest coverage of physics research, including those letters with application potential.

Latest news

  • In 2016 EPL is celebrating its 30th anniversary. The journal was founded in 1986 as Europhysics Letters by the EPL Association: a not for profit association formed by the European Physical Society (EPS), the Société Française de Physique (SFP) and its subsidiary EDP Sciences, the Società Italiana di Fisica (SIF), the UK Institute of Physics (IOP) and 13 other European national physical societies. The journal was re-launched as EPL in 2007 and has grown significantly in content and visibility. To celebrate this milestone collectable items may be available at some events throughout the year. Please view the events calendar to find some of the events that may be supported and/or attended during 2016, and we hope to see you soon!

  • Perspectives - a new type of article for EPL - commentaries authored by leading researchers aimed at highlighting the significance, impact, progress and wider implications of their research field.
  • Compilation Index - a user-friendly tool - in a journal with such a broad scope it is often difficult to locate a set of recently published articles directly related to your personal topic or needs. These collections aim to do the work for you and display many recent articles in specific research areas.
  • Newsletters - keep in touch with development within EPL - the most recent issue and previous newsletters are always available online.
  • More Editorial & news

SPECIAL NOTE: Open access copyright and user licencing policy

Pricing for 2016

EPL continues to provide authors with an option of publishing articles freely accessible by all, if a single-article fee of €1,400 is paid prior to publication. The Open Access option is offered on submission of an article to the Editorial Office from 1 January 2015.

The Editor-in-Chief continues, with advice from the Editorial Board, to have latitude to reward outstanding letters by granting Open Access free of charge. Authors of these articles will be notified once their article has been accepted.

All submitted articles will still be subject to rigorous peer review to maintain the high standard of articles published in EPL. Authors will benefit from expert advice by the members of the Editorial Board and enjoy rapid publication in addition to open access, where applicable.

EPL open access opportunities

In order to keep abreast with the rapidly changing landscape of copyright and licencing regulations EPL has made amendments to its copyright policy.

Those articles published in EPL through payment of a fee under the gold (hybrid) open access scheme now allow authors and third parties to use the published article as described in the Creative Commons Attribution 3.0 Unported licence. These rights allow users to copy, distribute and display the published version of the article and create derivative works, subject to appropriate attribution.

All other articles published in EPL follow a green open access policy allowing authors to use all or part of the article in personal compilations or other publications of the authors’ own works, including the authors’ personal home pages, and to make copies of all or part of the article for the authors’ use for lecture or classroom purposes.

After an embargo period of 12 months from the date of first publication, authors may then include the accepted manuscript (all or part), as long as files prepared and/or formatted by EPLA are not used, (a) on websites of the institution (including its repository) where the authors worked when research for the article was carried out; (b) on third-party websites, including e-print servers, but not on other publisher’s websites.

In addition, authors still retain all proprietary rights other than copyright, such as patent rights and, to the extent that there are moral rights in the article, the authors expressly reserve and assert their moral rights to be identified as authors of the article. Details on the IOP Publishing open access policy can be found on the appropriate IOPscience web page here.

© EPLA