zero out transformed values that are larger than 1e30

ATOMScience-org · Dec 13, 2024 · a7eb892 · a7eb892
1 parent b0940ad
commit a7eb892
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/atomsci/ddm/pipeline/transformations.py b/atomsci/ddm/pipeline/transformations.py
@@ -289,6 +289,8 @@ def transform_array(self, X, y, w, ids):
                 X = np.nan_to_num((X - self.X_means) * X_weight / self.X_stds)
             else:
                 X = np.nan_to_num(X * X_weight / self.X_stds)
+            # zero out large values, especially for out of range test data
+            X[np.abs(X) > 1e30] = 0
         if self.transform_y:
             if not hasattr(self, 'move_mean') or self.move_mean:
                 y = np.nan_to_num((y - self.y_means) / self.y_stds)