adapt embedding for forecasting tasks

autoPyTorch/pipeline/components/preprocessing/time_series_preprocessing/TimeSeriesTransformer.py

@@ -24,6 +24,7 @@ def __init__(self, random_state: Optional[Union[np.random.RandomState, int]] = N
         self.add_fit_requirements([
             FitRequirement('numerical_features', (List,), user_defined=True, dataset_property=True),
             FitRequirement('categorical_features', (List,), user_defined=True, dataset_property=True)])
+        self.output_feature_order = None
 
     def fit(self, X: Dict[str, Any], y: Any = None) -> BaseEstimator:
         """
@@ -74,6 +75,7 @@ def fit(self, X: Dict[str, Any], y: Any = None) -> BaseEstimator:
             X_train = X['backend'].load_datamanager().train_tensors[0]
 
         self.preprocessor.fit(X_train)
+        self.output_feature_order = self.get_output_column_orders(len(X['dataset_properties']['feature_names']))
         return self
 
     def transform(self, X: Dict[str, Any]) -> Dict[str, Any]:
@@ -86,7 +88,8 @@ def transform(self, X: Dict[str, Any]) -> Dict[str, Any]:
         Returns:
             X (Dict[str, Any]): updated fit dictionary
         """
-        X.update({'time_series_feature_transformer': self})
+        X.update({'time_series_feature_transformer': self,
+                  'feature_order_after_preprocessing': self.output_feature_order})
         return X
 
     def __call__(self, X: pd.DataFrame) -> pd.DataFrame:
@@ -108,6 +111,33 @@ def get_column_transformer(self) -> ColumnTransformer:
                                  .format(self.__class__.__name__))
         return self.preprocessor
 
+    def get_output_column_orders(self, n_input_columns: int) -> List[int]:
+        """
+        get the order of the output features transformed by self.preprocessor
+        TODO: replace this function with self.preprocessor.get_feature_names_out() when switch to sklearn 1.0 !
+
+        Args:
+            n_input_columns (int): number of input columns that will be transformed
+
+        Returns:
+            np.ndarray: a list of index indicating the order of each columns after transformation. Its length should
+                equal to n_input_columns
+        """
+        if self.preprocessor is None:
+            raise ValueError("cant call {} without fitting the column transformer first."
+                             .format(self.__class__.__name__))
+        transformers = self.preprocessor.transformers
+
+        n_reordered_input = np.arange(n_input_columns)
+        processed_columns = np.asarray([], dtype=np.int)
+
+        for tran in transformers:
+            trans_columns = np.array(tran[-1], dtype=np.int)
+            unprocessed_columns = np.setdiff1d(processed_columns, trans_columns)
+            processed_columns = np.hstack([unprocessed_columns, trans_columns])
+        unprocessed_columns = np.setdiff1d(n_reordered_input, processed_columns)
+        return np.hstack([processed_columns, unprocessed_columns]).tolist()  # type: ignore[return-value]
+
 
 class TimeSeriesTargetTransformer(autoPyTorchTimeSeriesTargetPreprocessingComponent):
     def __init__(self, random_state: Optional[Union[np.random.RandomState, int]] = None):

autoPyTorch/pipeline/components/preprocessing/time_series_preprocessing/column_spliting/ColumnSplitter.py

@@ -25,7 +25,11 @@ def __init__(
 
     def fit(self, X: Dict[str, Any], y: Optional[Any] = None) -> 'TimeSeriesColumnSplitter':
         super(TimeSeriesColumnSplitter, self).fit(X, y)
+
         self.num_categories_per_col_encoded = X['dataset_properties']['num_categories_per_col']
+        for i in range(len(self.num_categories_per_col_encoded)):
+            if i in self.special_feature_types['embed_columns']:
+                self.num_categories_per_col_encoded[i] = 1
         return self
 
     def transform(self, X: Dict[str, Any]) -> Dict[str, Any]:

autoPyTorch/pipeline/components/setup/early_preprocessor/TimeSeriesEarlyPreProcessing.py

@@ -22,18 +22,12 @@ def __init__(self, random_state: Optional[np.random.RandomState] = None) -> None
             FitRequirement('X_train', (pd.DataFrame, ), user_defined=True,
                            dataset_property=False),
             FitRequirement('feature_names', (tuple,), user_defined=True, dataset_property=True),
-            FitRequirement('numerical_columns', (List,), user_defined=True, dataset_property=True),
-            FitRequirement('categorical_columns', (List,), user_defined=True, dataset_property=True),
+            FitRequirement('feature_order_after_preprocessing', (List,), user_defined=False, dataset_property=False)
         ])
 
     def transform(self, X: Dict[str, Any]) -> Dict[str, Any]:
         """
         if dataset is small process, we transform the entire dataset here.
-        Before transformation, the order of the dataset is:
-        [(unknown_columns), categorical_columns, numerical_columns]
-        While after transformation, the order of the dataset is:
-        [numerical_columns, categorical_columns, unknown_columns]
-        we need to change feature_names and feature_shapes accordingly
 
         Args:
             X(Dict): fit dictionary
@@ -52,20 +46,9 @@ def transform(self, X: Dict[str, Any]) -> Dict[str, Any]:
         X['X_train'] = time_series_preprocess(dataset=X_train, transforms=transforms)
 
         feature_names = X['dataset_properties']['feature_names']
-        numerical_columns = X['dataset_properties']['numerical_columns']
-        categorical_columns = X['dataset_properties']['categorical_columns']
-        # encoding_columns = X['dataset_properties']['encoding_columns']
-        encode_columns = X['encode_columns']
-        import pdb
-        pdb.set_trace()
-
-        # resort feature_names
-        # Previously, the categorical features are sorted before numerical features. However,
-        # After the preprocessing. The numerical features are sorted at the first place.
-        new_feature_names = [feature_names[num_col] for num_col in numerical_columns]
-        new_feature_names += [feature_names[cat_col] for cat_col in categorical_columns]
-        if set(feature_names) != set(new_feature_names):
-            new_feature_names += list(set(feature_names) - set(new_feature_names))
+
+        feature_order_after_preprocessing = X['feature_order_after_preprocessing']
+        new_feature_names = (feature_names[i] for i in feature_order_after_preprocessing)
         X['dataset_properties']['feature_names'] = tuple(new_feature_names)
 
         preprocessed_dtype = get_preprocessed_dtype(X['X_train'])

autoPyTorch/pipeline/components/setup/network/forecasting_architecture.py

@@ -2,6 +2,7 @@
 from abc import abstractmethod
 from typing import Any, Dict, List, Optional, Tuple, Union
 
+import numpy as np
 import torch
 from torch import nn
 from torch.distributions import AffineTransform, TransformedDistribution
@@ -205,6 +206,7 @@ def __init__(self,
                  auto_regressive: bool,
                  feature_names: Union[Tuple[str], Tuple[()]] = (),
                  known_future_features: Union[Tuple[str], Tuple[()]] = (),
+                 embed_features_idx: Tuple[int] = (),
                  feature_shapes: Dict[str, int] = {},
                  static_features: Union[Tuple[str], Tuple[()]] = (),
                  time_feature_names: Union[Tuple[str], Tuple[()]] = (),
@@ -218,7 +220,16 @@ def __init__(self,
         self.embedding = network_embedding
         if len(known_future_features) > 0:
             known_future_features_idx = [feature_names.index(kff) for kff in known_future_features]
-            self.decoder_embedding = self.embedding.get_partial_models(known_future_features_idx)
+            known_future_embed_features = np.where(
+                np.in1d(embed_features_idx, known_future_features_idx, assume_unique=True)
+            )[0]
+            idx_excl_embed_future_features = np.setdiff1d(known_future_features_idx, embed_features_idx)
+            n_excl_embed_features = sum(feature_shapes[feature_names[i]] for i in idx_excl_embed_future_features)
+
+            self.decoder_embedding = self.embedding.get_partial_models(
+                n_excl_embed_features=n_excl_embed_features,
+                idx_embed_feat_partial=known_future_embed_features
+            )
         else:
             self.decoder_embedding = _NoEmbedding()
         # modules that generate tensors while doing forward pass
@@ -558,7 +569,7 @@ def pre_processing(self,
             return x_past, x_future, x_static, loc, scale, static_context_initial_hidden, past_targets
         else:
             if past_features is not None:
-                x_past = torch.cat([truncated_past_targets, past_features], dim=-1).to(device=self.device)
+                x_past = torch.cat([past_features, truncated_past_targets], dim=-1).to(device=self.device)
                 x_past = self.embedding(x_past.to(device=self.device))
             else:
                 x_past = self.embedding(truncated_past_targets.to(device=self.device))
@@ -615,8 +626,8 @@ def forward(self,
         return self.rescale_output(output, loc, scale, self.device)
 
     def _unwrap_past_targets(
-        self,
-        past_targets: dict
+            self,
+            past_targets: dict
     ) -> Tuple[torch.Tensor,
                Optional[torch.Tensor],
                Optional[torch.Tensor],

autoPyTorch/pipeline/components/setup/network/forecasting_network.py

@@ -44,6 +44,7 @@ def __init__(
             FitRequirement("auto_regressive", (bool,), user_defined=False, dataset_property=False),
             FitRequirement("target_scaler", (BaseTargetScaler,), user_defined=False, dataset_property=False),
             FitRequirement("net_output_type", (str,), user_defined=False, dataset_property=False),
+            FitRequirement('embed_features_idx', (tuple,), user_defined=False, dataset_property=False),
             FitRequirement("feature_names", (Iterable,), user_defined=False, dataset_property=True),
             FitRequirement("feature_shapes", (Iterable,), user_defined=False, dataset_property=True),
             FitRequirement('transform_time_features', (bool,), user_defined=False, dataset_property=False),
@@ -85,6 +86,7 @@ def fit(self, X: Dict[str, Any], y: Any = None) -> autoPyTorchTrainingComponent:
                                    feature_names=feature_names,
                                    feature_shapes=feature_shapes,
                                    known_future_features=known_future_features,
+                                   embed_features_idx=X['embed_features_idx'],
                                    time_feature_names=time_feature_names,
                                    static_features=X['dataset_properties']['static_features']
                                    )

autoPyTorch/pipeline/components/setup/network_embedding/LearnedEntityEmbedding.py

@@ -72,18 +72,37 @@ def __init__(self, config: Dict[str, Any], num_categories_per_col: np.ndarray, n
 
         self.ee_layers = self._create_ee_layers()
 
+    def insert_new_input_features(self, n_new_features: int):
+        """
+        Time series tasks need to add targets to the embeddings. However, the target information is not recorded
+        by autoPyTorch's embeddings. Therefore, we need to add the targets to the input features manually, which is
+        located in front of the features
+
+        Args:
+            n_new_features (int):
+                number of new features that is inserted in front of the input features
+        """
+        self.num_categories_per_col = np.hstack([np.zeros(n_new_features, dtype=np.int16), self.num_categories_per_col])
+        self.embed_features = np.hstack([np.zeros(n_new_features, dtype=np.bool), self.num_categories_per_col])
+
+        self.num_features_excl_embed += n_new_features
+        self.num_output_dimensions = [1] * n_new_features + self.num_output_dimensions
+        self.num_out_feats += n_new_features
+
     def get_partial_models(self,
                            n_excl_embed_features: int,
                            idx_embed_feat_partial: List[int]) -> "_LearnedEntityEmbedding":
         """
         extract a partial models that only works on a subset of the data that ought to be passed to the embedding
         network, this function is implemented for time series forecasting tasks where the known future features is only
         a subset of the past features
+
         Args:
             n_excl_embed_features (int):
                 number of unembedded features
             idx_embed_feat_partial (List[int]):
-                a set of index identifying the which embedding features will be inherited by the partial model
+                a set of index identifying the which embedding features will be inherited by the partial model. This
+                index is used to extract self.ee_layers
 
         Returns:
             partial_model (_LearnedEntityEmbedding)
@@ -119,11 +138,9 @@ def forward(self, x: torch.Tensor) -> torch.Tensor:
         concat_seq = []
 
         layer_pointer = 0
-        # Time series tasks need to add targets to the embeddings. However, the target information is not recorded
-        # by autoPyTorch's embeddings. Therefore, we need to add the targets parts to `concat_seq` manually, which is
-        # the last few dimensions of the input x
-        # we assign x_pointer to 0 beforehand to avoid the case that self.embed_features has 0 length
         x_pointer = 0
+        # For forcasting architectures,besides the input features, we might also need to feed targets and time features
+        # to the embedding layers, which are not counted by self.embed_features.
         for x_pointer, embed in enumerate(self.embed_features):
             if not embed:
                 current_feature_slice = x[..., [x_pointer]]
@@ -134,6 +151,7 @@ def forward(self, x: torch.Tensor) -> torch.Tensor:
             concat_seq.append(self.ee_layers[layer_pointer](current_feature_slice))
 
             layer_pointer += 1
+        concat_seq.append(x[..., x_pointer + 1:])
 
         return torch.cat(concat_seq, dim=-1)
 

autoPyTorch/pipeline/components/setup/network_embedding/NoEmbedding.py

@@ -12,7 +12,10 @@
 
 
 class _NoEmbedding(nn.Module):
-    def get_partial_models(self, **kwargs: Any) -> "_NoEmbedding":
+    def get_partial_models(self, *args, **kwargs) -> "_NoEmbedding":
+        return self
+
+    def insert_new_input_features(self, *args, **kwargs) -> "_NoEmbedding":
         return self
 
     def forward(self, x: torch.Tensor) -> torch.Tensor:

autoPyTorch/pipeline/components/setup/network_embedding/base_network_embedding.py

@@ -37,6 +37,7 @@ def fit(self, X: Dict[str, Any], y: Any = None) -> BaseEstimator:
                 # forecasting tasks
                 feature_names = X['dataset_properties']['feature_names']
                 n_features_all = len(feature_names)
+                # embedded feature index
                 embed_features_idx = tuple(range(n_features_all - n_features_embedded, n_features_all))
                 for idx, n_output_embedded in zip(embed_features_idx, num_output_features[-n_features_embedded:]):
                     feat_name = feature_names[idx]

test/test_pipeline/components/setup/forecasting/forecasting_networks/test_forecasting_architecture.py

@@ -24,22 +24,22 @@
 from autoPyTorch.utils.hyperparameter_search_space_update import HyperparameterSearchSpaceUpdate
 
 
-class ReducedEmbedding(torch.nn.Module):
+class IncrementalEmbedding(torch.nn.Module):
     # a dummy reduced embedding, it simply cut row for each categorical features
-    def __init__(self, num_input_features, num_numerical_features: int):
-        super(ReducedEmbedding, self).__init__()
-        self.num_input_features = num_input_features
-        self.num_numerical_features = num_numerical_features
-        self.n_cat_features = len(num_input_features) - num_numerical_features
+    def __init__(self, n_excl_embed_features, embed_feat_idx):
+        super(IncrementalEmbedding, self).__init__()
+        self.n_excl_embed_features = n_excl_embed_features
+        self.embed_feat_idx = embed_feat_idx
 
     def forward(self, x):
-        x = x[..., :-self.n_cat_features]
+        if len(self.embed_feat_idx) > 0:
+            x = torch.cat([x, x[..., -len(self.embed_feat_idx):]], dim=-1)
         return x
 
-    def get_partial_models(self, subset_features):
-        num_numerical_features = sum([sf < self.num_numerical_features for sf in subset_features])
-        num_input_features = [self.num_input_features[sf] for sf in subset_features]
-        return ReducedEmbedding(num_input_features, num_numerical_features)
+    def get_partial_models(self, n_excl_embed_features,  idx_embed_feat_partial):
+        n_excl_embed_features = n_excl_embed_features
+        embed_feat_idx = [self.embed_feat_idx[idx] for idx in idx_embed_feat_partial]
+        return IncrementalEmbedding(n_excl_embed_features, embed_feat_idx)
 
 
 @pytest.fixture(params=['ForecastingNet', 'ForecastingSeq2SeqNet', 'ForecastingDeepARNet', 'NBEATSNet'])
@@ -52,7 +52,7 @@ def network_encoder(request):
     return request.param
 
 
-@pytest.fixture(params=['ReducedEmbedding', 'NoEmbedding'])
+@pytest.fixture(params=['IncrementalEmbedding', 'NoEmbedding'])
 def embedding(request):
     return request.param
 
@@ -110,7 +110,7 @@ def test_network_forward(self,
             dataset_properties['known_future_features'] = ('f1', 'f3', 'f5')
 
         if with_static_features:
-            dataset_properties['static_features'] = (0, 4)
+            dataset_properties['static_features'] = (0, 3)
         else:
             dataset_properties['static_features'] = tuple()
 
@@ -130,10 +130,14 @@ def test_network_forward(self,
         fit_dictionary['net_output_type'] = net_output_type
 
         if embedding == 'NoEmbedding':
+            embed_features_idx = ()
             fit_dictionary['network_embedding'] = _NoEmbedding()
+            fit_dictionary['embed_features_idx'] = embed_features_idx
         else:
-            fit_dictionary['network_embedding'] = ReducedEmbedding([10] * 5, 2)
-            dataset_properties['feature_shapes'] = {'f1': 10, 'f2': 10, 'f3': 9, 'f4': 9, 'f5': 9}
+            embed_features_idx = (3, 4)
+            fit_dictionary['network_embedding'] = IncrementalEmbedding(50, embed_features_idx)
+            fit_dictionary['embed_features_idx'] = embed_features_idx
+            dataset_properties['feature_shapes'] = {'f1': 10, 'f2': 10, 'f3': 10, 'f4': 11, 'f5': 11}
 
         if uni_variant_data:
             fit_dictionary['X_train'] = None