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. 2019 Jan 16;20:31. doi: 10.1186/s12859-018-2588-1

Fig. 1.

Fig. 1

Abstraction of the fitting process. A ModelFitFunctor composes an optimizer and a suitable cost function. A ModelFitFunctor also depends on the input sample, initial MP values and a parameterized model instance. These are provided when calling the functor. Optionally a ModelFitFunctor class may specify additional settings (e.g. stopping criteria). Constraints may serve for explicit regularization (e.g. when using L-BFGS as optimizer) or for implicit regularization by boundary conditions that penalize the cost function. The control flow (red, double stroked arrows) of the optimization process loops through the steps 1 to 4 until a stopping criteria is met. Value class instances (green boxes) refer to input that is considered simple data. Base class instances (blue box) represent any derived class and are part of the abstraction