Change lmfit to use abs(raw_spec - model_spec) * weights

AdvancedPhotonSource · Dec 5, 2023 · ebb6d02 · ebb6d02
1 parent 84019c7
commit ebb6d02
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/src/fitting/optimizers/lmfit_optimizer.cpp b/src/fitting/optimizers/lmfit_optimizer.cpp
@@ -79,7 +79,7 @@ void residuals_lmfit( const T_real *par, int m_dat, const void *data, T_real *fv
     // Calculate residuals
     for (int i = 0; i < m_dat; i++ )
     {
-		fvec[i] = pow((ud->spectra[i] - ud->spectra_model[i]),2) * ud->weights[i];
+		fvec[i] = abs(ud->spectra[i] - ud->spectra_model[i]) * ud->weights[i];
 		if (std::isfinite(fvec[i]) == false)
 		{
 			//logE << "\n\n\n";
@@ -124,7 +124,7 @@ void general_residuals_lmfit( const T_real *par, int m_dat, const void *data, T_
     // Calculate residuals
     for (int i = 0; i < m_dat; i++ )
     {
-        fvec[i] = pow(( ud->spectra[i] - ud->spectra_model[i] ),2) * ud->weights[i];
+        fvec[i] = abs( ud->spectra[i] - ud->spectra_model[i] ) * ud->weights[i];
 		if (std::isfinite(fvec[i]) == false)
 		{
 			fvec[i] = ud->spectra[i];
@@ -163,7 +163,7 @@ void quantification_residuals_lmfit( const T_real *par, int m_dat, const void *d
 		}
 		else
 		{
-			fvec[idx] = itr.second.e_cal_ratio - result_map[itr.first];
+			fvec[idx] = abs(itr.second.e_cal_ratio - result_map[itr.first]);
 		}
         idx++;
     }

diff --git a/src/fitting/optimizers/mpfit_optimizer.cpp b/src/fitting/optimizers/mpfit_optimizer.cpp
@@ -133,7 +133,7 @@ int gen_residuals_mpfit(int m, int params_size, T_real *params, T_real *dy, T_re
     // Calculate residuals
     for (int i=0; i<m; i++)
     {
-        dy[i] = pow(( ud->spectra[i] - ud->spectra_model[i] ),2) * ud->weights[i];
+        dy[i] = abs( ud->spectra[i] - ud->spectra_model[i] ) * ud->weights[i];
 		if (std::isfinite(dy[i]) == false)
 		{
 			dy[i] = ud->spectra[i];
@@ -174,7 +174,7 @@ int quantification_residuals_mpfit(int m, int params_size, T_real *params, T_rea
 		}
 		else
 		{
-			dy[idx] = itr.second.e_cal_ratio - result_map[itr.first];
+			dy[idx] = abs(itr.second.e_cal_ratio - result_map[itr.first]);
 		}
         idx++;
     }

diff --git a/src/fitting/optimizers/optimizer.h b/src/fitting/optimizers/optimizer.h
@@ -186,7 +186,7 @@ void fill_user_data(User_Data<T_real> &ud,
         weights = convolve1d(weights, 5);
         weights = Eigen::abs(weights);
         weights /= weights.maxCoeff();
-        weights = weights.unaryExpr([](T_real v) { return std::isfinite(v) ? v : (T_real)0.0; });
+        weights = weights.unaryExpr([](T_real v) { return std::isfinite(v) ? v : (T_real)1.0; });
         ud.weights = weights.segment(energy_range.min, energy_range.count());
         /*
         ArrayTr<T_real> weights = (*spectra);