International Journal of General Systems
Biological macromolecules, Macromolecular structure
The Genetic Algorithm (GA) and Simulated Annealing (SA), two techniques for global optimization, were applied to a reduced (simplified) form of the phase problem (RPP) in computational crystallography. Results were compared with those of "enhanced pair flipping" (EPF), a more elaborate problem-specific algorithm incorporating local and global searches. Not surprisingly, EPF did better than the GA or SA approaches, but the existence of GA and SA techniques more advanced than those used in this study suggest that these techniques still hold promise for phase problem applications. The RPP is, furthermore, an excellent test problem for such global optimization methods.
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Published as: Zwick, M., Lovell, B., and Marsh, J. (1996) Global Optimization Studies on the 1D Phase Problem, International Journal of General Systems, 25:1, 47-59.