I think there is no general rule to better define the initial Nelder-Mead optimization simplex, because this requires at least a dim knowledge of the response surface.
However, it may be prudent to set points so that the simplex covers almost the entire possible range. The Nelder-Mead algorithm will automatically shorten the simplex and is close to optimal. The practical advantage of this policy is that you will get a better overall knowledge of the response function.
We did some tests with HillStormer ( "http://www.berkutec.com" ). This program allows you to test these policies on testfunctons, and we found that this plicy works pretty well.
Remember that the first simplex operation is a reflection. If the initial simplex covers the entire allowed range, reflection will certainly give limit values. But HillStormer allows you to use linear constraints and can avoid this problem.
You can find more information in the HillStormer system help.
V. Kuehne
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