Feature/22 feature add tendency training

src/anemoi/models/interface/__init__.py

@@ -8,10 +8,12 @@
 #
 
 import uuid
+from typing import Optional
 
 import torch
 from anemoi.utils.config import DotDict
 from hydra.utils import instantiate
+from torch.distributed.distributed_c10d import ProcessGroup
 from torch_geometric.data import HeteroData
 
 from anemoi.models.preprocessing import Processors
@@ -39,38 +41,55 @@ class AnemoiModelInterface(torch.nn.Module):
         Metadata for the model.
     data_indices : dict
         Indices for the data.
-    pre_processors : Processors
-        Pre-processing steps to apply to the data before passing it to the model.
-    post_processors : Processors
-        Post-processing steps to apply to the model's output.
     model : AnemoiModelEncProcDec
         The underlying Anemoi model.
     """
 
     def __init__(
-        self, *, config: DotDict, graph_data: HeteroData, statistics: dict, data_indices: dict, metadata: dict
+        self,
+        *,
+        config: DotDict,
+        graph_data: HeteroData,
+        statistics: dict,
+        data_indices: dict,
+        metadata: dict,
+        statistics_tendencies: Optional[dict] = None,
     ) -> None:
         super().__init__()
         self.config = config
         self.id = str(uuid.uuid4())
         self.multi_step = self.config.training.multistep_input
+        self.prediction_strategy = self.config.training.prediction_strategy
         self.graph_data = graph_data
         self.statistics = statistics
+        self.statistics_tendencies = statistics_tendencies
         self.metadata = metadata
         self.data_indices = data_indices
         self._build_model()
 
     def _build_model(self) -> None:
         """Builds the model and pre- and post-processors."""
-        # Instantiate processors
-        processors = [
-            [name, instantiate(processor, data_indices=self.data_indices, statistics=self.statistics)]
-            for name, processor in self.config.data.processors.items()
+        # Instantiate processors for state
+        processors_state = [
+            [name, instantiate(processor, statistics=self.statistics, data_indices=self.data_indices)]
+            for name, processor in self.config.data.processors.state.items()
         ]
 
         # Assign the processor list pre- and post-processors
-        self.pre_processors = Processors(processors)
-        self.post_processors = Processors(processors, inverse=True)
+        self.pre_processors_state = Processors(processors_state)
+        self.post_processors_state = Processors(processors_state, inverse=True)
+
+        # Instantiate processors for tendency
+        self.pre_processors_tendency = None
+        self.post_processors_tendency = None
+        if self.prediction_strategy == "tendency":
+            processors_tendency = [
+                [name, instantiate(processor, statistics=self.statistics_tendencies, data_indices=self.data_indices)]
+                for name, processor in self.config.data.processors.tendency.items()
+            ]
+
+            self.pre_processors_tendency = Processors(processors_tendency)
+            self.post_processors_tendency = Processors(processors_tendency, inverse=True)
 
         # Instantiate the model
         self.model = instantiate(
@@ -81,8 +100,19 @@ def _build_model(self) -> None:
             _recursive_=False,  # Disables recursive instantiation by Hydra
         )
 
-        # Use the forward method of the model directly
-        self.forward = self.model.forward
+    def forward(self, x: torch.Tensor, model_comm_group: Optional[ProcessGroup] = None) -> torch.Tensor:
+        if self.prediction_strategy == "residual":
+            # Predict state by adding residual connection (just for the prognostic variables)
+            x_pred = self.model.forward(x, model_comm_group)
+            x_pred[..., self.model._internal_output_idx] += x[:, -1, :, :, self.model._internal_input_idx]
+        else:
+            x_pred = self.model.forward(x, model_comm_group)
+
+        for bounding in self.model.boundings:
+            # bounding performed in the order specified in the config file
+            x_pred = bounding(x_pred)
+
+        return x_pred
 
     def predict_step(self, batch: torch.Tensor) -> torch.Tensor:
         """Prediction step for the model.
@@ -97,17 +127,54 @@ def predict_step(self, batch: torch.Tensor) -> torch.Tensor:
         torch.Tensor
             Predicted data.
         """
-        batch = self.pre_processors(batch, in_place=False)
 
         with torch.no_grad():
 
             assert (
                 len(batch.shape) == 4
             ), f"The input tensor has an incorrect shape: expected a 4-dimensional tensor, got {batch.shape}!"
+            x = self.pre_processors_state(batch[:, 0 : self.multi_step, ...], in_place=False)
+
             # Dimensions are
-            # batch, timesteps, horizonal space, variables
-            x = batch[:, 0 : self.multi_step, None, ...]  # add dummy ensemble dimension as 3rd index
+            # batch, timesteps, horizontal space, variables
+            x = x[..., None, :, :]  # add dummy ensemble dimension as 3rd index
+            if self.prediction_strategy == "tendency":
+                tendency_hat = self(x)
+                y_hat = self.add_tendency_to_state(x[:, -1, ...], tendency_hat)
+            else:
+                y_hat = self(x)
+                y_hat = self.post_processors_state(y_hat, in_place=False)
+
+        return y_hat
 
-            y_hat = self(x)
+    def add_tendency_to_state(self, state_inp: torch.Tensor, tendency: torch.Tensor) -> torch.Tensor:
+        """Add the tendency to the state.
+
+        Parameters
+        ----------
+        state_inp : torch.Tensor
+            The input state tensor with full input variables and unprocessed.
+        tendency : torch.Tensor
+            The tendency tensor output from model.
+
+        Returns
+        -------
+        torch.Tensor
+            Predicted data.
+        """
+
+        state_outp = self.post_processors_tendency(
+            tendency, in_place=False, data_index=self.data_indices.data.output.full
+        )
+
+        state_outp[..., self.data_indices.model.output.diagnostic] = self.post_processors_state(
+            tendency[..., self.data_indices.model.output.diagnostic],
+            in_place=False,
+            data_index=self.data_indices.data.output.diagnostic,
+        )
+
+        state_outp[..., self.data_indices.model.output.prognostic] += state_inp[
+            ..., self.data_indices.model.input.prognostic
+        ]
 
-        return self.post_processors(y_hat, in_place=False)
+        return state_outp

src/anemoi/models/models/encoder_processor_decoder.py

@@ -259,11 +259,4 @@ def forward(self, x: Tensor, model_comm_group: Optional[ProcessGroup] = None) ->
             .clone()
         )
 
-        # residual connection (just for the prognostic variables)
-        x_out[..., self._internal_output_idx] += x[:, -1, :, :, self._internal_input_idx]
-
-        for bounding in self.boundings:
-            # bounding performed in the order specified in the config file
-            x_out = bounding(x_out)
-
         return x_out

src/anemoi/models/preprocessing/__init__.py

@@ -95,7 +95,9 @@ def _invert_key_value_list(self, method_config: dict[str, list[str]]) -> dict[st
             for variable in variables
         }
 
-    def forward(self, x, in_place: bool = True, inverse: bool = False) -> Tensor:
+    def forward(
+        self, x, in_place: bool = True, inverse: bool = False, data_index: Optional[torch.Tensor] = None
+    ) -> Tensor:
         """Process the input tensor.
 
         Parameters
@@ -106,15 +108,17 @@ def forward(self, x, in_place: bool = True, inverse: bool = False) -> Tensor:
             Whether to process the tensor in place
         inverse : bool
             Whether to inverse transform the input
+        data_index : torch.Tensor, optional
+            Normalize only the specified indices, by default.
 
         Returns
         -------
         torch.Tensor
             Processed tensor
         """
         if inverse:
-            return self.inverse_transform(x, in_place=in_place)
-        return self.transform(x, in_place=in_place)
+            return self.inverse_transform(x, in_place=in_place, data_index=data_index)
+        return self.transform(x, in_place=in_place, data_index=data_index)
 
     def transform(self, x, in_place: bool = True) -> Tensor:
         """Process the input tensor."""
@@ -155,7 +159,7 @@ def __init__(self, processors: list, inverse: bool = False) -> None:
     def __repr__(self) -> str:
         return f"{self.__class__.__name__} [{'inverse' if self.inverse else 'forward'}]({self.processors})"
 
-    def forward(self, x, in_place: bool = True) -> Tensor:
+    def forward(self, x, in_place: bool = True, data_index: Optional[torch.Tensor] = None) -> Tensor:
         """Process the input tensor.
 
         Parameters
@@ -164,14 +168,16 @@ def forward(self, x, in_place: bool = True) -> Tensor:
             Input tensor
         in_place : bool
             Whether to process the tensor in place
+        data_index : Optional[torch.Tensor], optional
+            Normalize only the specified indices, by default None
 
         Returns
         -------
         torch.Tensor
             Processed tensor
         """
         for processor in self.processors.values():
-            x = processor(x, in_place=in_place, inverse=self.inverse)
+            x = processor(x, in_place=in_place, inverse=self.inverse, data_index=data_index)
 
         if self.first_run:
             self.first_run = False

src/anemoi/models/preprocessing/imputer.py

@@ -103,7 +103,9 @@ def _expand_subset_mask(self, x: torch.Tensor, idx_src: int) -> torch.Tensor:
         """Expand the subset of the mask to the correct shape."""
         return self.nan_locations[:, idx_src].expand(*x.shape[:-2], -1)
 
-    def transform(self, x: torch.Tensor, in_place: bool = True) -> torch.Tensor:
+    def transform(
+        self, x: torch.Tensor, in_place: bool = True, data_index: Optional[torch.Tensor] = None
+    ) -> torch.Tensor:
         """Impute missing values in the input tensor."""
         if not in_place:
             x = x.clone()
@@ -115,7 +117,9 @@ def transform(self, x: torch.Tensor, in_place: bool = True) -> torch.Tensor:
             self.nan_locations = torch.isnan(x[idx].squeeze())
 
         # Choose correct index based on number of variables
-        if x.shape[-1] == self.num_training_input_vars:
+        if data_index is not None:
+            index = data_index
+        elif x.shape[-1] == self.num_training_input_vars:
             index = self.index_training_input
         elif x.shape[-1] == self.num_inference_input_vars:
             index = self.index_inference_input
@@ -131,13 +135,18 @@ def transform(self, x: torch.Tensor, in_place: bool = True) -> torch.Tensor:
                 x[..., idx_dst][self._expand_subset_mask(x, idx_src)] = value
         return x
 
-    def inverse_transform(self, x: torch.Tensor, in_place: bool = True) -> torch.Tensor:
+    def inverse_transform(
+        self, x: torch.Tensor, in_place: bool = True, data_index: Optional[torch.Tensor] = None
+    ) -> torch.Tensor:
         """Impute missing values in the input tensor."""
         if not in_place:
             x = x.clone()
 
         # Replace original nans with nan again
-        if x.shape[-1] == self.num_training_output_vars:
+        # Choose correct index based on number of variables
+        if data_index is not None:
+            index = data_index
+        elif x.shape[-1] == self.num_training_output_vars:
             index = self.index_training_output
         elif x.shape[-1] == self.num_inference_output_vars:
             index = self.index_inference_output

tests/preprocessing/test_preprocessor_normalizer.py

@@ -22,7 +22,9 @@ def input_normalizer():
         {
             "diagnostics": {"log": {"code": {"level": "DEBUG"}}},
             "data": {
-                "normalizer": {"default": "mean-std", "min-max": ["x"], "max": ["y"], "none": ["z"], "mean-std": ["q"]},
+                "normalizers": {
+                    "state": {"default": "mean-std", "min-max": ["x"], "max": ["y"], "none": ["z"], "mean-std": ["q"]}
+                },
                 "forcing": ["z", "q"],
                 "diagnostic": ["other"],
                 "remapped": {},
@@ -68,7 +70,7 @@ def remap_normalizer():
     }
     name_to_index = {"x": 0, "y": 1, "z": 2, "q": 3, "other": 4}
     data_indices = IndexCollection(config=config, name_to_index=name_to_index)
-    return InputNormalizer(config=config.data.normalizer, statistics=statistics, data_indices=data_indices)
+    return InputNormalizer(config=config.data.normalizers.state, statistics=statistics, data_indices=data_indices)
 
 
 def test_normalizer_not_inplace(input_normalizer) -> None: