Merge branch 'main' into pypi

Author: mastoffel

autoemulate/plotting.py

@@ -29,15 +29,15 @@ def _validate_inputs(cv_results, model_name):
             )
 
 
-def check_multioutput(y, output_index):
+def _check_multioutput(y, output_index):
     """Checks if y is multi-output and if the output_index is valid."""
     if y.ndim > 1:
         if (output_index > y.shape[1] - 1) | (output_index < 0):
             raise ValueError(
                 f"Output index {output_index} is out of range. The index should be between 0 and {y.shape[1] - 1}."
             )
         print(
-            f"""Multiple outputs detected. Plotting the output variable with index {output_index}. 
+            f"""Plotting the output variable with index {output_index}. 
 To plot other outputs, set `output_index` argument to the desired index."""
         )
 
@@ -148,6 +148,8 @@ def _plot_single_fold(
             y_test_std,
             ax,
             title=f"{model_name} - {title_suffix}",
+            input_index=input_index,
+            output_index=output_index,
         )
     else:
         display = PredictionErrorDisplay.from_predictions(
@@ -334,7 +336,7 @@ def _plot_cv(
     """
 
     _validate_inputs(cv_results, model_name)
-    check_multioutput(y, output_index)
+    _check_multioutput(y, output_index)
 
     if model_name:
         figure = _plot_model_folds(
@@ -449,7 +451,9 @@ def _plot_model(
                         y_pred[:, out_idx],
                         y_std[:, out_idx] if y_std is not None else None,
                         ax=axs[plot_index],
-                        title=f"X{in_idx} vs. y{out_idx}",
+                        title=f"$X_{in_idx}$ vs. $y_{out_idx}$",
+                        input_index=in_idx,
+                        output_index=out_idx,
                     )
                     plot_index += 1
         else:
@@ -479,7 +483,9 @@ def _plot_model(
     return fig
 
 
-def _plot_Xy(X, y, y_pred, y_std=None, ax=None, title="Xy"):
+def _plot_Xy(
+    X, y, y_pred, y_std=None, ax=None, title="Xy", input_index=0, output_index=0
+):
     """
     Plots observed and predicted values vs. features, including 2σ error bands where available.
     """
@@ -533,9 +539,9 @@ def _plot_Xy(X, y, y_pred, y_std=None, ax=None, title="Xy"):
         label="pred.",
     )
 
-    ax.set_xlabel("X")
-    ax.set_ylabel("y")
-    ax.set_title(title)
+    ax.set_xlabel(f"$X_{input_index}$", fontsize=13)
+    ax.set_ylabel(f"$y_{output_index}$", fontsize=13)
+    ax.set_title(title, fontsize=13)
     ax.grid(True, alpha=0.3)
 
     # Get the handles and labels for the scatter plots

tests/test_plotting.py

@@ -7,12 +7,12 @@
 
 from autoemulate.compare import AutoEmulate
 from autoemulate.emulators import RadialBasisFunctions
+from autoemulate.plotting import _check_multioutput
 from autoemulate.plotting import _plot_cv
 from autoemulate.plotting import _plot_model
 from autoemulate.plotting import _plot_single_fold
 from autoemulate.plotting import _predict_with_optional_std
 from autoemulate.plotting import _validate_inputs
-from autoemulate.plotting import check_multioutput
 
 
 @pytest.fixture(scope="module")
@@ -72,7 +72,7 @@ def test_check_multioutput_with_single_output():
     y = np.array([1, 2, 3, 4, 5])
     output_index = 0
     try:
-        check_multioutput(y, output_index)
+        _check_multioutput(y, output_index)
     except ValueError as e:
         assert False, f"Unexpected ValueError: {str(e)}"
 
@@ -81,7 +81,7 @@ def test_check_multioutput_with_multioutput():
     y = np.array([[1, 2, 3], [4, 5, 6]])
     output_index = 1
     try:
-        check_multioutput(y, output_index)
+        _check_multioutput(y, output_index)
     except ValueError as e:
         assert False, f"Unexpected ValueError: {str(e)}"
 
@@ -90,7 +90,7 @@ def test_check_multioutput_with_invalid_output_index():
     y = np.array([[1, 2, 3], [4, 5, 6]])
     output_index = 3
     try:
-        check_multioutput(y, output_index)
+        _check_multioutput(y, output_index)
         assert False, "Expected ValueError to be raised"
     except ValueError as e:
         assert (
@@ -354,7 +354,7 @@ def test__plot_model_int(ae_single_output):
         output_index=0,
     )
     assert isinstance(fig, plt.Figure)
-    assert fig.axes[0].get_title() == "X0 vs. y0"
+    assert all(term in fig.axes[0].get_title() for term in ["X", "y", "vs."])
 
 
 def test__plot_model_list(ae_single_output):
@@ -367,7 +367,7 @@ def test__plot_model_list(ae_single_output):
         output_index=[0],
     )
     assert isinstance(fig, plt.Figure)
-    assert fig.axes[1].get_title() == "X1 vs. y0"
+    assert all(term in fig.axes[1].get_title() for term in ["X", "y", "vs."])
 
 
 def test__plot_model_int_out_of_range(ae_single_output):