EVALUATION OF SIMULATED TEMPERING FOR OPTIMIZATION PROBLEMS Thomas Rose Paul Coddington Enzo Marinari INTRODUCTION Frequently in physics, systems involving many degrees of freedom arise. To derive properties of such systems using the normal approaches of classical mechanics would prove impossible because of the complexity of the system, so in many cases statistical mechanics is used to give a probabilistic description of the physical system. Monte Carlo techniques can be used to simulate such systems on a computer. These simulations are useful for understanding problems such as the thermal, electronic, and magnetic properties of matter, diffusion, percolation, quantum chemistry, and quantum field theory. SIMULATED TEMPERING FOR DISORDERED PHYSICAL SYSTEMS Simulated tempering is a new Monte Carlo technique which has been proposed for effectively simulating physical systems which have different coexisting phases at some non-zero temperature. This procedure has been shown to greatly improve over other Monte Carlo methods for certain disordered spin models of magnetic materials. Because of its recent development, however, the potential of this algorithm have not yet been fully investigated. It is believed that simulated tempering might overcome the difficulties encountered by conventional Monte Carlo techniques in simulating other disordered systems, such as spin glasses. SIMULATED TEMPERING FOR GENERAL OPTIMIZATION PROBLEMS In addition to the potential benefits offered by simulated tempering for simulating physical systems, the algorithm might also be applicable to general optimization problems. This belief is founded on the relation of simulated tempering to the well known Monte Carlo technique called simulated annealing. Simulated annealing has demonstrated its ability to find approximate solutions to general optimization problems. Because of the similarity between these two algorithms, it is believed that simulated tempering should do at least as well as simulated annealing in general optimization problems. ADVANTAGES OF THE SIMULATED TEMPERING ALGORITHM Simulated tempering is similar to simulated annealing, however whereas in annealing every temperature change drives the system out of equilibrium, in tempering a Metropolis-like update is performed on the temperature while the system is kept at equilibrium. One advantage tempering has over annealing is that while the optimal cooling schedule is not known for annealing, with tempering, the changes in temperature are at least partly determined by the system under investigation. Also, simulated annealing only finds one local minimum which is hoped to approximate the global minimum. With tempering many local minima are obtained and the smallest can be chosen as an approximation to the global minimum. PARALLELIZATION OF THE ALGORITHM The simulated tempering algorithm was implemented on the SIMD-architecture DECmpp using the MasPar Parallel Application Language (MPL), which is a data- parallel version of C. The main computational cost of the simulated tempering algorithm is the update of the spins, which is done using the standard local Metropolis Monte Carlo algorithm. This is straightforward to parallelize using domain decomposition. Since the algorithm is local and regular, perfect load balancing and good efficiency was achieved. RESULTS