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In-Depth Information
Figure
.
.
Example plot from FSMvis for Pima Indian data
aid in the design of new chemical entities with improved physical, chemical and bio-
logicalproperties.Asaguidetheauthorsreportanalysing onebillionitemsinaround
h.
Genetic algorithms are an approach to optimization suggested by the biological
process of evolution driven by natural selection. he aim is to derive a parameter set
that minimizes the difference between a model'sexpected values and those observed
fromthedata.FordetailedreviewsseeCharbonneau(
)andSchmitt(
).he
procedureemployed forour comparisons uses the algorithm developedbyCharbon-
neau and Knapp (
). As expected, when tested on the rail journey cost data, the
results were indistinguishable. In principle this approach admits larger data sets, but
not necessarily of su
cient size to make the approach worthwhile.
Simulated annealing is a suitable approach for large-scale optimization problems.
It is claimed to be ideal for locating an ideal global minimum located among a num-
beroflocalminima.hismethodhasbeenemployedtoaddressthefamoustravelling
