Basics of ic Algorithmsand some possibilities Peter Spijker Technische Universiteit Eindhoven Department of Biomedical Engineering Division of Biomedical Imaging and Modeling California Institute of Technology Materials Process and Simulation Center Biochemistry & Molecular Biophysics November 25, 2003 12 Presentation Overview Purpose of presentation General introduction to ic Algorithms (GA’s) Biological background Origin of species Natural selection ic Algorithm Search space Basic algorithm Coding Methods Examples Possibilities Purpose of presentation Optimising parameters of force fields is a difficult and time consuming task Use of optimising methods might be of use Methods: steepest descent simulated annealing (Monte Carlo) ic algorithms Brief introduction to ic algorithms in lecture style General Introduction to GA’s ic algorithms (GA’s) are a technique to solve problems which need optimization GA’s are a subclass of puting GA’s are based on Darwin’s theory of evolution History of GA’s puting evolved in the 1960’s. GA’s were created by John Holland in the mid-70’s. Biological Background (1) – The cell Every animal cell is plex of many small “factories” working together The center of this all is the cell nucleus The nucleus contains the ic information Biological Background (3) – ics The bination of genes is called genotype A genotype develops to a phenotype Alleles can be either dominant or recessive Dominant alleles will always express from the genotype to the fenotype Recessive alleles can survive in the population for many generations, without being expressed. Biological Background (4) – Reproduction Reproduction of ical information Mitosis Meiosis Mitosis is copying the same ic information to new offspring: there is no exchange of information Mitosis is the normal way of growing of multicell structures, ans. Biological Background (5) – Reproduction Meiosis is the basis of sexual reproduction After m