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Article #315Re: Non-linear Regression in Chemistry
From: Dr. Aivars Celmins
Date: Thu, 10 Sep 1992 17:44
Date: Thu, 10 Sep 1992 17:44
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1725 bytes
In article <1992Sep3.064230.42744@kuhub.cc.ukans.edu> jeff@kuhub.cc.ukans.edu (Jeff Bangert) writes: >A chemist has asked me to solve a problem: she has data and a model >which is to be fit by 'least squares'. It looks like non-linear >regression, except that: > > 1. the model has two equations > 2. both are non-linear > 3. there are parameters common to the two equations. > >I would like to know: > > 1. is there a 'standard' method for solving this problem? > 2. is there literature in stat or chemistry which I could read? > The problem is to minimize the properly weighted sum of squares of the corrections ( residuals) of the *observations* (not the defects of the equations!) subject to the constraints given by the model equation system. This leads to a constrained leaast-squares minimization. The minimization (least squares with model equations in form of simultaneous nonlinear equations) is discussed and an algorithm for the solution proposed in A. Celmins, Least-Squares Optimization with Implicit Model Functions, in "Mathematical Programming with Data Perturbations II", Anthony V. Fiacco, Ed., Marcel Dekker, 1983, pp. 131-152. Aivars Celmins celms@brl.mil (410)-278-6986
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Path: arc1-ca.pugleaf.net!sparky!uunet!haven.umd.edu!mimsy!afterlife!adm!aos!celms From: celms@vim.brl.mil (Dr. Aivars Celmins ) Newsgroups: sci.math.stat Subject: Re: Non-linear Regression in Chemistry Message-ID: <1004@aos.brl.mil> Date: 10 Sep 92 17:44:20 GMT References: <1992Sep3.064230.42744@kuhub.cc.ukans.edu> Sender: news@aos.brl.mil Organization: U.S. Army Ballistic Research Laboratory, APG, MD. Lines: 34 Nntp-Posting-Host: vim.brl.mil