Fix small bugs related to nan values in vector passed to pdf (#256)

* Enable replacing InCondition and ForbiddenRelation constraints

* Allow nan values in CategoricalHP _pdf function

Author: Marc

ConfigSpace/configuration_space.pyx

@@ -1526,12 +1526,12 @@ class ConfigurationSpace(collections.abc.Mapping):
                 new_child = new_configspace[child_name]
                 new_parent = new_configspace[parent_name]
 
-                if hasattr(condition, 'value'):
-                    condition_arg = getattr(condition, 'value')
-                    substituted_condition = condition_type(child=new_child, parent=new_parent, value=condition_arg)
-                elif hasattr(condition, 'values'):
+                if hasattr(condition, 'values'):
                     condition_arg = getattr(condition, 'values')
                     substituted_condition = condition_type(child=new_child, parent=new_parent, values=condition_arg)
+                elif hasattr(condition, 'value'):
+                    condition_arg = getattr(condition, 'value')
+                    substituted_condition = condition_type(child=new_child, parent=new_parent, value=condition_arg)
                 else:
                     raise AttributeError(f'Did not find the expected attribute in condition {type(condition)}.')
 
@@ -1573,15 +1573,24 @@ class ConfigurationSpace(collections.abc.Mapping):
                 hyperparameter_name = getattr(forbidden.hyperparameter, 'name')
                 new_hyperparameter = new_configspace[hyperparameter_name]
 
-                if hasattr(forbidden, 'value'):
-                    forbidden_arg = getattr(forbidden, 'value')
-                    substituted_forbidden = forbidden_type(hyperparameter=new_hyperparameter, value=forbidden_arg)
-                elif hasattr(forbidden, 'values'):
+                if hasattr(forbidden, 'values'):
                     forbidden_arg = getattr(forbidden, 'values')
                     substituted_forbidden = forbidden_type(hyperparameter=new_hyperparameter, values=forbidden_arg)
+                elif hasattr(forbidden, 'value'):
+                    forbidden_arg = getattr(forbidden, 'value')
+                    substituted_forbidden = forbidden_type(hyperparameter=new_hyperparameter, value=forbidden_arg)
                 else:
                     raise AttributeError(f'Did not find the expected attribute in forbidden {type(forbidden)}.')
 
+                new_forbiddens.append(substituted_forbidden)
+            elif isinstance(forbidden, ForbiddenRelation):
+                forbidden_type = type(forbidden)
+                left_name = getattr(forbidden.left, 'name')
+                left_hyperparameter = new_configspace[left_name]
+                right_name = getattr(forbidden.right, 'name')
+                right_hyperparameter = new_configspace[right_name]
+
+                substituted_forbidden = forbidden_type(left=left_hyperparameter, right=right_hyperparameter)
                 new_forbiddens.append(substituted_forbidden)
             else:
                 raise TypeError(f'Did not expect the supplied forbidden type {type(forbidden)}.')

ConfigSpace/hyperparameters.pyx

@@ -2617,7 +2617,13 @@ cdef class CategoricalHyperparameter(Hyperparameter):
             Probability density values of the input vector
         """
         probs = np.array(self.probabilities)
+        nan = np.isnan(vector)
+        if np.any(nan):
+            # Temporarily pick any valid index to use `vector` as an index for `probs`
+            vector[nan] = 0
         res = np.array(probs[vector.astype(int)])
+        if np.any(nan):
+            res[nan] = 0
         if res.ndim == 0:
             return res.reshape(-1)
         return res

test/test_configuration_space.py

@@ -46,7 +46,7 @@
                                          BetaIntegerHyperparameter,
                                          OrdinalHyperparameter)
 from ConfigSpace.exceptions import ForbiddenValueError
-from ConfigSpace.forbidden import ForbiddenEqualsRelation
+from ConfigSpace.forbidden import ForbiddenEqualsRelation, ForbiddenLessThanRelation
 
 
 def byteify(input):
@@ -919,6 +919,34 @@ def test_substitute_hyperparameters_in_conditions(self):
         self.assertEqual(new_conditions[0], test_conditions[0])
         self.assertEqual(new_conditions[1], test_conditions[1])
 
+    def test_substitute_hyperparameters_in_inconditions(self):
+        cs1 = ConfigurationSpace()
+        a = UniformIntegerHyperparameter('a', lower=0, upper=10)
+        b = UniformFloatHyperparameter('b', lower=1., upper=8., log=False)
+        cs1.add_hyperparameters([a, b])
+
+        cond = InCondition(b, a, [1, 2, 3, 4])
+        cs1.add_conditions([cond])
+
+        cs2 = ConfigurationSpace()
+        sub_a = UniformIntegerHyperparameter('a', lower=0, upper=10)
+        sub_b = UniformFloatHyperparameter('b', lower=1., upper=8., log=False)
+        cs2.add_hyperparameters([sub_a, sub_b])
+        new_conditions = cs1.substitute_hyperparameters_in_conditions(cs1.get_conditions(), cs2)
+
+        test_cond = InCondition(b, a, [1, 2, 3, 4])
+        cs2.add_conditions([test_cond])
+        test_conditions = cs2.get_conditions()
+
+        self.assertEqual(new_conditions[0], test_conditions[0])
+        self.assertIsNot(new_conditions[0], test_conditions[0])
+
+        self.assertEqual(new_conditions[0].get_parents(), test_conditions[0].get_parents())
+        self.assertIsNot(new_conditions[0].get_parents(), test_conditions[0].get_parents())
+
+        self.assertEqual(new_conditions[0].get_children(), test_conditions[0].get_children())
+        self.assertIsNot(new_conditions[0].get_children(), test_conditions[0].get_children())
+
     def test_substitute_hyperparameters_in_forbiddens(self):
         cs1 = ConfigurationSpace()
         orig_hp1 = CategoricalHyperparameter("input1", [0, 1])
@@ -930,7 +958,8 @@ def test_substitute_hyperparameters_in_forbiddens(self):
         forb_2 = ForbiddenEqualsClause(orig_hp2, 1)
         forb_3 = ForbiddenEqualsClause(orig_hp3, 10)
         forb_4 = ForbiddenAndConjunction(forb_1, forb_2)
-        cs1.add_forbidden_clauses([forb_3, forb_4])
+        forb_5 = ForbiddenLessThanRelation(orig_hp1, orig_hp2)
+        cs1.add_forbidden_clauses([forb_3, forb_4, forb_5])
 
         cs2 = ConfigurationSpace()
         sub_hp1 = CategoricalHyperparameter("input1", [0, 1, 2])
@@ -944,9 +973,11 @@ def test_substitute_hyperparameters_in_forbiddens(self):
         test_forb_2 = ForbiddenEqualsClause(sub_hp2, 1)
         test_forb_3 = ForbiddenEqualsClause(sub_hp3, 10)
         test_forb_4 = ForbiddenAndConjunction(test_forb_1, test_forb_2)
-        cs2.add_forbidden_clauses([test_forb_3, test_forb_4])
+        test_forb_5 = ForbiddenLessThanRelation(sub_hp1, sub_hp2)
+        cs2.add_forbidden_clauses([test_forb_3, test_forb_4, test_forb_5])
         test_forbiddens = cs2.get_forbiddens()
 
+        self.assertEqual(new_forbiddens[2], test_forbiddens[2])
         self.assertEqual(new_forbiddens[1], test_forbiddens[1])
         self.assertEqual(new_forbiddens[0], test_forbiddens[0])
 

test/test_hyperparameters.py

@@ -1946,6 +1946,7 @@ def test_categorical__pdf(self):
         point_1 = np.array([0])
         point_2 = np.array([1])
         array_1 = np.array([1, 0, 2])
+        nan = np.array([0, np.nan])
         self.assertEqual(c1._pdf(point_1)[0], 0.4)
         self.assertEqual(c1._pdf(point_2)[0], 0.2)
         self.assertAlmostEqual(c2._pdf(point_1)[0], 0.7142857142857143)
@@ -1957,14 +1958,20 @@ def test_categorical__pdf(self):
         for res, exp_res in zip(array_results, expected_results):
             self.assertEqual(res, exp_res)
 
+        nan_results = c1._pdf(nan)
+        expected_results = np.array([0.4, 0])
+        self.assertEqual(nan_results.shape, expected_results.shape)
+        for res, exp_res in zip(nan_results, expected_results):
+            self.assertEqual(res, exp_res)
+
         # pdf must take a numpy array
         with self.assertRaises(TypeError):
             c1._pdf(0.2)
         with self.assertRaises(TypeError):
             c1._pdf('pdf')
         with self.assertRaises(TypeError):
             c1._pdf('one')
-        with self.assertRaises(ValueError):
+        with self.assertRaises(TypeError):
             c1._pdf(np.array(['zero']))
 
     def test_categorical_get_max_density(self):