fix CONT_RELAX with Hierarchical variables (#664)

* fix cr hier

* ruff

* init zscale

smt/applications/tests/test_mixed_integer.py

@@ -1059,7 +1059,7 @@ def test_hierarchical_design_space_example_all_categorical_decreed(self):
             sm.train()
             y_s = sm.predict_values(Xt)[:, 0]
             _pred_RMSE = np.linalg.norm(y_s - Yt) / len(Yt)
-            self.assertLess(_pred_RMSE, 1e-3)
+            self.assertLess(_pred_RMSE, 1e-6)
             y_sv = sm.predict_variances(Xt)[:, 0]
             _var_RMSE = np.linalg.norm(y_sv) / len(Yt)
             self.assertLess(_var_RMSE, 1e-6)

smt/surrogate_models/krg_based.py

@@ -481,6 +481,7 @@ def _new_train(self):
                     _,
                 ) = standardization(X2.copy(), y.copy())
                 D, _ = cross_distances(self.X2_norma)
+                D = np.abs(D)
                 self.Lij, self.n_levels = cross_levels(
                     X=self.X_train, ij=self.ij, design_space=self.design_space
                 )
@@ -985,19 +986,7 @@ def _reduced_likelihood_function(self, theta):
                             X2 - self.X2_offset
                         ) / self.X2_scale
                         dx, _ = cross_distances(self.X2_norma[str(self._lvl)])
-                else:
-                    X2, _, _ = self.design_space.unfold_x(
-                        self.training_points[None][0][0]
-                    )
-                    (
-                        self.X2_norma,
-                        _,
-                        self.X2_offset,
-                        _,
-                        self.X2_scale,
-                        _,
-                    ) = standardization(X2, self.training_points[None][0][1])
-                    dx, _ = cross_distances(self.X2_norma)
+
             try:
                 r = self._matrix_data_corr(
                     corr=self.options["corr"],
@@ -1012,6 +1001,7 @@ def _reduced_likelihood_function(self, theta):
                     cat_kernel=self.options["categorical_kernel"],
                     kplsk_second_loop=self.kplsk_second_loop,
                 ).reshape(-1, 1)
+
                 if np.isnan(r).any():
                     return reduced_likelihood_function_value, par
             except FloatingPointError:
@@ -1580,7 +1570,7 @@ def _predict_init(self, x, is_acting):
             if self.options["categorical_kernel"] == MixIntKernelType.CONT_RELAX:
                 Xpred, _, _ = self.design_space.unfold_x(x)
                 Xpred_norma = (Xpred - self.X2_offset) / self.X2_scale
-                dx = differences(Xpred_norma, Y=self.X2_norma.copy())
+                dx = np.abs(differences(Xpred_norma, Y=self.X2_norma.copy()))
 
                 if (
                     "n_comp" not in self.options._dict.keys()
@@ -1598,8 +1588,10 @@ def _predict_init(self, x, is_acting):
                             is_acting_y=self.is_acting_train,
                             mixint_type=MixIntKernelType.GOWER,
                         )
-                    if np.any(self.design_space.is_conditionally_acting):
-                        dx[:, np.logical_not(self.unfolded_cat)] = dnum / self.X_scale
+                if np.any(self.design_space.is_conditionally_acting):
+                    dx[:, np.logical_not(self.unfolded_cat)] = (
+                        dnum / self.X2_scale[np.logical_not(self.unfolded_cat)]
+                    )
             Lij, _ = cross_levels(
                 X=x, ij=ij, design_space=self.design_space, y=self.X_train
             )
@@ -1680,7 +1672,6 @@ def _predict_values(self, x: np.ndarray, is_acting=None) -> np.ndarray:
         # Initialization
         if not (self.is_continuous):
             x, is_acting, n_eval, ij, Lij, dx = self._predict_init(x, is_acting)
-
             r = self._matrix_data_corr(
                 corr=self.options["corr"],
                 design_space=self.design_space,

smt/utils/kriging.py

@@ -302,9 +302,8 @@ def gower_componentwise_distances(
     Z_num = Z[:, ~cat_features]
     z_num_is_acting = z_is_acting[:, ~cat_features]
     num_is_decreed = is_decreed[~cat_features]
-    X_num_out = Z_num[x_index,]
-    Y_num_out = Z_num[y_index,]
     num_bounds = design_space.get_num_bounds()[~cat_features, :]
+    Z_scale = 1
     if num_bounds.shape[0] > 0:
         Z_offset = num_bounds[:, 0]
         Z_max = num_bounds[:, 1]
@@ -327,15 +326,7 @@ def gower_componentwise_distances(
         y,
         hierarchical_kernel,
     )
-    D_num_out, _ = compute_D_num(
-        X_num_out,
-        Y_num_out,
-        x_num_is_acting,
-        y_num_is_acting,
-        num_is_decreed,
-        y,
-        hierarchical_kernel,
-    )
+    D_num_out = D_num * Z_scale
     D = np.concatenate((D_cat, D_num), axis=1) * 0
     D[:, np.logical_not(cat_features)] = D_num
     D[:, cat_features] = D_cat