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Systems of nonlinear equations
Modified Newton"s method.
Consider a system of n nonlinear equations
fi(x1,...,xn)=0, i=1,...,n.
Suppose that the point x is close to the root. Let us try to find the step
Δx which brings us to the solution fi(x+Δx)=0. The first
order Taylor expansion gives a system of linear equations
fi(x)+∑j ∂fi/∂xjΔxj = 0,
or,
A·Δx = -f ,
where
Aij ≡ {∂fi/∂xj} ,
f ≡ {fi}
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The solution Δx to this equation gives the approximate direction
and the step-size towards the root. However in the modified Newton's
method instead of the full step a more conservative approach is usually
taken, for example:
- λ = 1; do until λ<0.01 {
- y = x + λΔx
- if |f(y)|<(1-λ/2)|f(x)| x=y; exit
- else λ = λ/2 }
Minimization of functions.
Downhill simplex method.
The method is used to find a minimum of a function of n variables f(p)
(p is an n-dimensional vector) by transforming the simplex according to
the function values at the vertices thus moving it downhill until it
reaches the minimum.
- Definitions:
-
Simplex: a figure represented by n+1 points pi, i=1,..,n+1
(each point pi is an n-dimensional vector).
highest point, ph, f(ph) = max(i) f(pi);
lowest point, pl, f(pl) = min(i) f(pi);
centroid, p0, p0 = 1/n ∑(i ≠ h) pi
- Operations on the simplex:
-
Reflection: pr = p0 - α(ph - p0), α=1
Expansion: pe = p0 + β(pr - p0), β=2
Contraction: pc = p0 + γ(ph - p0),
γ=1/2
Reduction: pi = 1/2(pi+pl).
- Algorithm:
-
- do until converged
- try Reflection
- If f(pr)<f(pl) accept Reflection; do Expansion; done
- If f(pr)<f(ph) accept Reflection; done
- try Contraction
- if f(pc)<f(ph) accept Contraction; done
- do Reduction
- done
Problems
- Finish up Lanczos+QR
- Implement the Modified Newton's method and downhill simplex method
"Copyleft"
© 2001
D.V.Fedorov
(fedorov@ifa.au.dk)