Discrepancy function
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A discrepancy function is a mathematical function which describes how closely a structural model conforms to observed data. Larger values of the discrepancy function indicate a poor fit of the model to data. In general, the parameter estimates for a given model are chosen so as to make the discrepancy function for that model as small as possible.[1]
There are several basic types of discrepancy functions, including Maximum Likelihood (ML), Generalized Least Squares (GLS), and Uweighted Least Squares (ULS), which are considered the "classical" discrepancy functions.[2] Discrepancy functions all meet the following basic criteria:
- They are non-negative, i.e., always greater than or equal to zero.
- They are zero only if the fit is perfect, i.e., if the model and parameter estimates perfectly reproduce the observed data.
- The discrepancy function is a continuous function of the elements of S, the sample covariance matrix, and Σ(θ), the "reproduced" estimate of S obtained by using the parameter estimates and the structural model.[1]
References
- ^ a b "Department of Chemistry and Biochemistry at Florida State University".
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