Asymmetric least squares smoothing
// by tony.withers@uwo.ca, using method of Eilers, PHC and Boelens, HFM
// (2005) Baseline correction with asymmetric least squares smoothing.
// Creates (and overwrites) w_base, a baseline estimate for w_data. The
// asymmetry parameter (Eilers and Boelens' p) generally takes values
// between 0.001 and 0.1. Try varying lambda in orders of magnitude
// between 10^2 and 10^9. Not efficient for large N, try it for w_data
// with fewer than 1000 points.
function ALS(w_data, lambda, asymmetry)
wave w_data
variable lambda, asymmetry
variable i, N=numpnts(w_data), rms=inf
variable maxIts=20
matrixOp /free D = identity(N)
differentiate /EP=1/METH=2/DIM=0 D
differentiate /EP=1/METH=2/DIM=0 D
// this step (specifically the matrix multiplication) is slow:
matrixOp /free H = lambda * (D^t x D)
duplicate /o/free w_data w, w_new
w=1
for (i=0;i<maxIts;i+=1)
matrixOp /o/free C = chol(diagRC(w, N, N)+H)
matrixOp /o w_base = backwardSub(C,(forwardSub(C^t, w * w_data)))
w_new = asymmetry * (w_data>w_base) + (1-asymmetry) * (w_data<w_base)
// convergence test
w-=w_new
wavestats /Q w
if (v_rms>=rms)
return i+1
else
rms=v_rms
w=w_new
endif
endfor
return 0
end
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I changed the original code from tony a little bit to be able to use it on larger datasets:
July 31, 2018 at 08:20 am - Permalink