Optimized searchspace operations

kernel_tuner/searchspace.py

@@ -103,6 +103,8 @@ def __init__(
         self.param_names = list(self.tune_params.keys())
         self.params_values = tuple(tuple(param_vals) for param_vals in self.tune_params.values())
         self.params_values_indices = None
+        self._alloc_diff = None
+        self._alloc_sum_of_index_differences = None
         self.build_neighbors_index = build_neighbors_index
         self.solver_method = solver_method
         self.tune_param_is_numeric = { param_name: all(isinstance(val, (int, float)) for val in param_values) and not any(isinstance(val, bool) for val in param_values) for (param_name, param_values) in tune_params.items() }
@@ -715,21 +717,46 @@ def get_list_param_indices_numpy(self) -> np.ndarray:
             the NumPy array.
         """
         if self.__list_param_indices is None:
+
+            # compute the lookups
             tune_params_to_index_lookup = list()
             tune_params_from_index_lookup = list()
+            all_values_integer_nonnegative = True
             for param_name, param_values in self.tune_params.items():
                 tune_params_to_index_lookup.append({ value: index for index, value in enumerate(param_values) })
                 tune_params_from_index_lookup.append({ index: value for index, value in enumerate(param_values) })
-
+                if (all_values_integer_nonnegative and 
+                    not all(isinstance(v, int) and 0 < v < 2**15 for v in param_values)
+                ):
+                    all_values_integer_nonnegative = False
+
             # build the list
-            list_param_indices = list()
-            for param_config in self.list:
-                list_param_indices.append([tune_params_to_index_lookup[index][val] for index, val in enumerate(param_config)])
+            if all_values_integer_nonnegative:
+                # optimized case for integer non-negative values
+                configs = np.asarray(self.list)
+                index_arrays = []
+                for values in self.tune_params.values():
+                    arr = np.full(max(values) + 1, -1, dtype=np.int16)
+                    for i, v in enumerate(values):
+                        arr[v] = i
+                    index_arrays.append(arr)
+                # use advanced indexing to build the list of parameter indices
+                list_param_indices = np.column_stack([
+                    index_arrays[i][configs[:, i]]
+                    for i in range(configs.shape[1])
+                ])
+            else:
+                # general case for any type of values
+                list_param_indices = list()
+                for param_config in self.list:
+                    list_param_indices.append([tune_params_to_index_lookup[index][val] for index, val in enumerate(param_config)])
+                list_param_indices = np.array(list_param_indices)
 
             # register the computed results
             self.__tune_params_to_index_lookup = tune_params_to_index_lookup
             self.__tune_params_from_index_lookup = tune_params_from_index_lookup
-            self.__list_param_indices = np.array(list_param_indices)
+            self.__list_param_indices = list_param_indices
+
             assert self.__list_param_indices.shape == (self.size, self.num_params), f"Expected shape {(self.size, self.num_params)}, got {self.__list_param_indices.shape}"
 
             # calculate the actual minimum and maximum index for each parameter after restrictions
@@ -962,6 +989,8 @@ def __prepare_neighbors_index(self):
         """Prepare by calculating the indices for the individual parameters."""
         if self.params_values_indices is None:
             self.params_values_indices = self.get_list_param_indices_numpy()
+            self._alloc_diff = np.empty_like(self.params_values_indices, dtype=self.params_values_indices.dtype)
+            self._alloc_sum_of_index_differences = np.empty((self.params_values_indices.shape[0],), dtype=self.params_values_indices.dtype)
 
     def __get_neighbor_indices_closest_param_indices(self, param_config: tuple, param_index: int = None, return_one=False) -> List[int]:
         """Get the neighbors closest in parameter indices difference from the parameter configuration. Always returns at least 1 neighbor."""
@@ -972,19 +1001,19 @@ def __get_neighbor_indices_closest_param_indices(self, param_config: tuple, para
             self.__prepare_neighbors_index()
 
         # calculate the absolute difference between the parameter value indices
-        abs_index_difference = np.abs(self.params_values_indices - np.array(param_indices), dtype=self.params_values_indices.dtype)
-        # calculate the sum of the absolute differences for each parameter configuration
-        sum_of_index_differences = np.sum(abs_index_difference, axis=1)
+        self.__calc_sum_of_index_differences(np.array(param_indices))
         if param_index is not None:
             # set the sum of index differences to infinity for the parameter index to avoid returning the same parameter configuration
-            sum_of_index_differences[param_index] = self.get_list_param_indices_numpy_max()
+            self._alloc_sum_of_index_differences[param_index] = self.get_list_param_indices_numpy_max()
+
+        # return the indices of the closest parameter configurations
         if return_one:
             # if return_one is True, return the index of the closest parameter configuration (faster than finding all)
-            get_partial_neighbors_indices = [np.argmin(sum_of_index_differences)]
+            matching_indices = [np.argmin(self._alloc_sum_of_index_differences).item()]
         else:
             # find the param config indices where the difference is the smallest
-            min_difference = np.min(sum_of_index_differences)
-            matching_indices = (sum_of_index_differences == min_difference).nonzero()[0]
+            min_difference = np.min(self._alloc_sum_of_index_differences)
+            matching_indices = (self._alloc_sum_of_index_differences == min_difference).nonzero()[0]
         return matching_indices
 
     def __get_neighbors_indices_hamming(self, param_config: tuple) -> List[int]:
@@ -1073,15 +1102,17 @@ def __get_neighbors_indices_strictlyadjacent(
         """Get the neighbors using strictly adjacent distance from the parameter configuration (parameter index absolute difference == 1)."""
         if self.params_values_indices is None:
             self.__prepare_neighbors_index()
-        param_config_value_indices = (
+        param_config_value_indices = np.array(
             self.get_param_indices(param_config)
             if param_config_index is None
             else self.params_values_indices[param_config_index]
         )
+
         # calculate the absolute difference between the parameter value indices
         abs_index_difference = np.abs(self.params_values_indices - param_config_value_indices, dtype=self.params_values_indices.dtype)
         # get the param config indices where the difference is one or less for each position
         matching_indices = (np.max(abs_index_difference, axis=1) <= 1).nonzero()[0]
+
         # as the selected param config does not differ anywhere, remove it from the matches
         if param_config_index is not None:
             matching_indices = np.setdiff1d(matching_indices, [param_config_index], assume_unique=True)
@@ -1145,12 +1176,18 @@ def __build_neighbors_index(self, neighbor_method) -> List[List[int]]:
             )
         if neighbor_method == "closest-param-indices":
             return list(
-                self.__get_neighbor_indices_closest_param_indices(param_config, param_config_index)
+                self.__get_neighbor_indices_closest_param_indices(param_config, param_config_index, return_one=False)
                 for param_config_index, param_config in enumerate(self.list)
             )
 
         raise NotImplementedError(f"The neighbor method {neighbor_method} is not implemented")
 
+    def __calc_sum_of_index_differences(self, target_param_config_indices: np.ndarray):
+        """Calculates the absolute difference between the parameter value indices and `target_param_config_indices` into `self._alloc_sum_of_index_differences`."""
+        np.subtract(self.params_values_indices, target_param_config_indices, out=self._alloc_diff)
+        np.abs(self._alloc_diff, out=self._alloc_diff)
+        np.einsum('ij->i', self._alloc_diff, out=self._alloc_sum_of_index_differences)
+
     def get_random_sample_indices(self, num_samples: int) -> np.ndarray:
         """Get the list indices for a random, non-conflicting sample."""
         if num_samples > self.size:
@@ -1169,7 +1206,7 @@ def get_random_sample(self, num_samples: int) -> List[tuple]:
         return self.get_param_configs_at_indices(self.get_random_sample_indices(num_samples))
 
     def get_distributed_random_sample_indices(self, num_samples: int, sampling_factor=10) -> List[int]:
-        """Get a distributed random sample of parameter configuration indices. Note: `get_LHS_random_sample_indices` is likely faster and better distributed."""
+        """Get a distributed random sample of parameter configuration indices. Note: `get_LHS_sample_indices` is likely faster and better distributed."""
         if num_samples > self.size:
             warn(
                 f"Too many samples requested ({num_samples}), reducing the number of samples to half of the searchspace size ({self.size})"
@@ -1219,16 +1256,12 @@ def get_next_sample(lower: tuple, upper: tuple) -> tuple:
             self.__prepare_neighbors_index()
         target_sample_indices = list()
         for target_sample_param_config_indices in target_samples_param_indices:
-            # calculate the absolute difference between the parameter value indices
-            abs_index_difference = np.abs(self.params_values_indices - target_sample_param_config_indices, dtype=self.params_values_indices.dtype)
-            # find the param config index where the difference is the smallest
-            sum_of_index_differences = np.sum(abs_index_difference, axis=1)
             param_index = self.get_param_config_index(self.get_param_config_from_param_indices(target_sample_param_config_indices))
             if param_index is not None:
-                # set the sum of index differences to infinity for the parameter index to avoid returning the same parameter configuration
-                sum_of_index_differences[param_index] = self.get_list_param_indices_numpy_max()
-            min_index_difference_index = np.argmin(sum_of_index_differences)
-            target_sample_indices.append(min_index_difference_index.item())
+                target_sample_indices.append(param_index)
+            else:
+                self.__calc_sum_of_index_differences(target_sample_param_config_indices)
+                target_sample_indices.append(np.argmin(self._alloc_sum_of_index_differences).item())
 
         # filter out duplicate samples and replace with random ones
         target_sample_indices = list(set(target_sample_indices))
@@ -1267,16 +1300,12 @@ def get_LHS_sample_indices(self, num_samples: int) -> List[int]:
         # for each of the target sample indices, calculate which parameter configuration is closest
         target_sample_indices = list()
         for target_sample_param_config_indices in target_samples_param_indices:
-            # calculate the absolute difference between the parameter value indices
-            abs_index_difference = np.abs(self.params_values_indices - target_sample_param_config_indices, dtype=self.params_values_indices.dtype)
-            # find the param config index where the difference is the smallest
-            sum_of_index_differences = np.sum(abs_index_difference, axis=1)
             param_index = self.get_param_config_index(self.get_param_config_from_param_indices(target_sample_param_config_indices))
             if param_index is not None:
-                # set the sum of index differences to infinity for the parameter index to avoid returning the same parameter configuration
-                sum_of_index_differences[param_index] = self.get_list_param_indices_numpy_max()
-            min_index_difference_index = np.argmin(sum_of_index_differences)
-            target_sample_indices.append(min_index_difference_index.item())
+                target_sample_indices.append(param_index)
+            else:
+                self.__calc_sum_of_index_differences(target_sample_param_config_indices)
+                target_sample_indices.append(np.argmin(self._alloc_sum_of_index_differences).item())
 
         # filter out duplicate samples and replace with random ones
         target_sample_indices = list(set(target_sample_indices))

kernel_tuner/strategies/diff_evo.py

@@ -387,12 +387,13 @@ def repair(trial_vector, searchspace):
     """
     Attempts to repair trial_vector if trial_vector is invalid
     """
-    if not searchspace.is_param_config_valid(tuple(trial_vector)):
+    trial_tuple = tuple(trial_vector)
+    if not searchspace.is_param_config_valid(trial_tuple):
         # search for valid configurations neighboring trial_vector
         for neighbor_method in ["closest-param-indices"]:
         # start from strictly-adjacent to increasingly allowing more neighbors
         # for neighbor_method in ["strictly-adjacent", "adjacent", "Hamming"]:
-            new_trial_vector = searchspace.get_random_neighbor(tuple(trial_vector), neighbor_method=neighbor_method)
+            new_trial_vector = searchspace.get_random_neighbor(trial_tuple, neighbor_method=neighbor_method)
             if new_trial_vector is not None:
                 # print(f"Differential evolution resulted in invalid config {trial_vector=}, repaired to {new_trial_vector=}")
                 return list(new_trial_vector)