ExplicitEquation::FitError ExplicitEquation::Fit(DataSource &series, double &r2) { r2 = 0; if (series.IsExplicit() || series.IsParam()) return InadequateDataSource; if (series.GetCount() < coeff.GetCount()) return SmallDataSource; ptrdiff_t numUnknowns = coeff.GetCount(); VectorXd x(numUnknowns); for (int i = 0; i < numUnknowns; ++i) x(i) = coeff[i]; Equation_functor functor; functor.series = &series; functor.fSource = this; functor.unknowns = numUnknowns; functor.datasetLen = series.GetCount(); NumericalDiff<Equation_functor> numDiff(functor); LevenbergMarquardt<NumericalDiff<Equation_functor> > lm(numDiff); // ftol is a nonnegative input variable that measures the relative error desired in the sum of squares lm.parameters.ftol = 1.E4*NumTraits<double>::epsilon(); // xtol is a nonnegative input variable that measures the relative error desired in the approximate solution lm.parameters.xtol = 1.E4*NumTraits<double>::epsilon(); lm.parameters.maxfev = maxFitFunctionEvaluations; int ret = lm.minimize(x); if (ret == LevenbergMarquardtSpace::ImproperInputParameters) return ExplicitEquation::ImproperInputParameters; if (ret == LevenbergMarquardtSpace::TooManyFunctionEvaluation) return TooManyFunctionEvaluation; double mean = series.AvgY(); double sse = 0, sst = 0; for (int64 i = 0; i < series.GetCount(); ++i) { double y = series.y(i); if (!IsNull(y)) { double res = y - f(series.x(i)); sse += res*res; double d = y - mean; sst += d*d; } } r2 = 1 - sse/sst; return NoError; }