Abstract
We propose a variant of the simulated annealing method for optimization in the multivariate analysis of differentiable functions. The method uses global actualizations via the hybrid Monte Carlo algorithm in their generalized version for the proposal of new configurations. We show how this choice can improve upon the performance of simulated annealing methods (mainly when the number of variables is large) by allowing a more effective searching scheme and a faster annealing schedule.
Similar content being viewed by others
References
P. J. M. van Laarhoven and E. H. L. Aarts,Simulated Annealing: Theory and Applications (Kluwer Academic Publishers, Netherlands, 1988).
M. R. Garey and D. S. Johnson,Computers and Intractability: A Guide to the Theory of NP-Completeness (Freeman, San Francisco, 1979).
S. Kirkpatrick, Jr., C. D. Gelatt, and M. P. Vecchi, Optimization by simulated annealing,Science 220:671–680 (1983).
W. T. Vetterling, W. H. Press, S. A. Teukolsky, and B. P. Flannery,Numerical Recipes in FORTRAN: The Art of Scientific Computing (Cambridge University, New York, 1994).
M. H. Kalos and P. A. Whitlock,Monte Carlo Methods (Wiley, New York, 1986).
D. Heermann,Computer Simulation Methods (Springer-Verlag, Berlin, Heidelberg, 1986).
K. Binder, ed.,The Monte Carlo Method in Condensed Matter Physics (Springer-Verlag, Berlin, Heidelberg, 1992).
S. Duane, A. D. Kennedy, B. J. Pendelton, and D. Roweth, Hybrid Monte Carlo,Phys. Lett. B 195:216–222(1987).
R. Toral and A. L. Ferreira, Generalized Hybrid Monte Carlo, inProceedings of the Conference Physics Computing ’94, p. 265 (European Physical Society, Geneva, Switzerland, 1994), R. Gruber and M. Tomasini, eds.
A. L. Ferreira and R. Toral, Hybrid Monte Carlo method for conserved-order-parameter systems,Phys. Rev. E 47:R3848-R3851 (1993).
S. German and D. German, Stochastic relaxation, Gibbs distribution and the Bayesian restoration in images,IEEE Trans. Patt. Anan. Mach. Int 6:721–741 (1984).
H. Szu and R. Hartley, Fast simulated annealing,Phys. Lett. A 3-14:157–162 (1987).
L. Ingber and B. Rosen, Genetic algorithms and very fast simulated reannealing: A comparison,Mathl. Comput. Modelling 16:87–100 (1992).
A similar procedure is used in [15] in the context of sampling Tsallis statistics. In their method, the configuration energy difference δE(x) is used instead of the total Hamiltonian difference δH(x) as the acceptance criterion. In general, this procedure does not properly sample the Gibbs distribution, Eq. (1), at temperatureT, although it coincides with the one used in this paper asT → 0.
I. Andricioaei and J. E. Straub, Generalized simulated annealing algorithms using tsallis statistics: Application to conformational optimization of a tetrapeptide,Physical Review E 53:R3055-R3058(1996).
Time reversibility implies that the original coordinates are exactly recovered after numerical integration during a time step if the momenta are reversed. Area preserving implies that the Jacobian of the mapping (10) is equal to one.
R. Toral, Computational field theory and pattern formation, in3rd Granada Lectures in Computational Physics, p. 1 (Springer-Verlag, Heidelberg, 1995), P. L. Garrido and J. Marro, eds.
K. A. De Jong,An Analysis of the Behavior of a Class of Genetic Adaptive System, Ph.D. thesis, University of Michigan, 1981.
A. Corana, M. Martini, and S. Ridella, Minimizing multimodal functions of continuous variables with the simulated annealing algorithm,ACM Trans. Mathematical Software 13:272–280(1987).
S. G. Dykes and B. E. Rosen, Parallel very fast simulated reannealing by temperature block partitioning, inIEEE International Conference on Systems, Man, and Cybernetics. Humans, Information and Technology (IEEE press, New York, 1994), pp. 1914–1919.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Salazar, R., Toral, R. Simulated Annealing Using Hybrid Monte Carlo. J Stat Phys 89, 1047–1060 (1997). https://doi.org/10.1007/BF02764221
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF02764221