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GPS-X Technical Reference

GPS-X Technical Reference

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Optimizer 396<br />

The variable e i,j is the residual and is defined as:<br />

Equation 14.21<br />

The variable z i,j is the measured value of response j at the ith data point.<br />

The expressions in Equation 14.19 and Equation 14.20 were derived assuming that the<br />

response variables are equivalent to the state variables. Even if this is not the case, this is<br />

not a limitation because the sensitivity coefficients are being calculated using finitedifferences.<br />

Therefore any dependencies in the responses are being taken into account.<br />

The Hessian matrices for the other objective functions are not calculated because they<br />

cannot be approximated using the Gauss-Newton approximation. As a result, they<br />

require the calculation of second order sensitivities.<br />

If any of the optimization variables are at their bounds, the elements of the Hessian<br />

involving these variables are zero.<br />

The Hessian matrix is only reported when the report objective function gradient and<br />

Hessian switch in the Derivative Information sub-section in the Optimizer form is set<br />

to ON.<br />

Confidence Limits<br />

<strong>GPS</strong>-X calculates linear-approximation confidence limits for the parameter estimates<br />

using the variance-covariance matrix. For the sum of squares objective function, the<br />

variance-covariance matrix of the parameter estimates is defined as (Bard, 1974):<br />

Equation 14.22<br />

The matrix Ĥ -1 1 is the inverse of the Gauss-Newton Hessian approximation to the sum of<br />

squares objective function at the solution. The variable s 2 is the variance estimate for the<br />

measurement errors and is defined as:<br />

Equation 14.23<br />

SS ˆ<br />

is the value of the sum of squares objective function at the solution, n is the<br />

where<br />

number of data points (total number considering all target variables), and p is the number<br />

of parameters (i.e. optimization variables).<br />

<strong>GPS</strong>-X <strong>Technical</strong> <strong>Reference</strong>

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