Rp. White et Hr. Mayne, Optimal annealing schedules for two-, three-, and four-level systems usinga genetic algorithm approach, J CHEM PHYS, 112(18), 2000, pp. 7964-7978
An annealing schedule, T(t), is the temperature as function of time whose g
oal is to bring a system from some initial low-order state to a final high-
order state. We use the probability in the lowest energy level as the order
parameter, so that an ideally annealed system would have all its populatio
n in its ground-state. We consider a model system comprised of discrete ene
rgy levels separated by activation barriers. We have carried out annealing
calculations on this system for a range of system parameters. In particular
, we considered the schedule as a function of the energy level spacing, of
the height of the activation barriers, and, in some cases, as a function of
degeneracies of the levels. For a given set of physical parameters, and ma
ximum available time, t(m), we were able to obtain the optimal schedule by
using a genetic algorithm (GA) approach. For the two-level system, analytic
solutions are available, and were compared with the GA-optimized results.
The agreement was essentially exact. We were able to identify systematic be
haviors of the schedules and trends in final probabilities as a function of
parameters. We have also carried out Metropolis Monte Carlo (MMC) calculat
ions on simple potential energy functions using the optimal schedules avail
able from the model calculations. Agreement between the model and MMC calcu
lations was excellent. (C) 2000 American Institute of Physics. [S0021-9606(
00)51312-9].