From 979631feece712d5d816948cd3462a007a740492 Mon Sep 17 00:00:00 2001 From: Jeremy McGibbon Date: Mon, 22 Jun 2026 15:59:47 +0000 Subject: [PATCH 1/4] Refactor step to take an explicit [batch, ensemble] dimension pair MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit The step (`step_with_adjustments` and all four `StepABC` implementations) now receives tensors with an explicit `[batch, ensemble, *spatial]` leading dimension pair instead of a folded `[batch*ensemble, *spatial]` dimension. The nn.Module calls still operate on a folded `[batch*ensemble, channel, *spatial]` batch: each `network_call` folds the ensemble dimension into the batch immediately before the module and unfolds the module output. This makes the ensemble structure visible inside the step, a prerequisite for input channel dropout that is shared across ensemble members but independent across the batch (a follow-up). - Global mean removal reduces every dimension after the leading sample dim, so it is folded around (each ensemble member is an independent sample for mean removal) — keeping it byte-identical and agnostic to the spatial rank. - The corrector, ocean and normalizer are leading-dim agnostic (the corrector reduces only HORIZONTAL_DIMS) and run on the [batch, ensemble] layout directly. CorrectorState/StepperState gain fold/unfold_ensemble helpers; the corrector state is [batch, ensemble, 1, 1] inside the step and folded to [batch*ensemble, 1, 1] in the externally-threaded state. - predict_generator keeps its external contract folded: it unfolds the per-step inputs, masks and stepper_state, threads [batch, ensemble] through the step, and folds the yielded outputs — so training and inference callers are unchanged. - The input-mask helpers handle the leading [batch, ensemble] pair, and new fold/unfold_ensemble_tensor helpers fold a single tensor. Behavior-preserving: an added ensemble-independence test asserts each member's output equals an independent single-member step, and the spatial-parallel regression baselines reproduce the pre-refactor outputs bit-for-bit (modulo the size-1 ensemble dim). --- fme/ace/step/fcn3.py | 15 ++- fme/ace/stepper/single_module.py | 63 +++++++--- fme/ace/stepper/test_single_module.py | 71 ++++++++--- fme/core/corrector/state.py | 26 ++++ .../distributed/parallel_tests/test_step.py | 8 +- fme/core/step/args.py | 20 ++-- fme/core/step/radiation.py | 16 ++- fme/core/step/secondary_module.py | 28 +++-- fme/core/step/single_module.py | 112 ++++++++++++++---- fme/core/step/test_radiation.py | 8 +- fme/core/step/test_step.py | 46 +++---- fme/core/stepper_state.py | 26 ++++ fme/core/tensors.py | 20 ++++ fme/core/test_tensors.py | 23 ++++ 14 files changed, 386 insertions(+), 96 deletions(-) diff --git a/fme/ace/step/fcn3.py b/fme/ace/step/fcn3.py index 51c9706d3..3bd72ab52 100644 --- a/fme/ace/step/fcn3.py +++ b/fme/ace/step/fcn3.py @@ -26,6 +26,7 @@ from fme.core.step.single_module import step_with_adjustments from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState +from fme.core.tensors import fold_ensemble_tensor, unfold_ensemble_tensor from fme.core.typing_ import TensorDict, TensorMapping DEFAULT_TIMESTEP = datetime.timedelta(hours=6) @@ -456,14 +457,22 @@ def network_call(input_norm: TensorDict) -> TensorDict: surface_tensor = self.surface_input_packer.pack( input_norm, axis=self.CHANNEL_DIM ) + # The module expects a single folded [batch*ensemble, channel, + # *spatial] sample dimension; fold the explicit ensemble dim in and + # unfold the outputs back to [batch, ensemble, ...]. + n_ensemble = atmosphere_tensor.shape[1] atmosphere_output_tensor, surface_output_tensor = wrapper(self.module)( - atmosphere_tensor, surface_tensor, forcing_tensor + fold_ensemble_tensor(atmosphere_tensor, n_ensemble), + fold_ensemble_tensor(surface_tensor, n_ensemble), + fold_ensemble_tensor(forcing_tensor, n_ensemble), ) atmosphere_output = self.atmosphere_output_packer.unpack( - atmosphere_output_tensor, axis=self.CHANNEL_DIM + unfold_ensemble_tensor(atmosphere_output_tensor, n_ensemble), + axis=self.CHANNEL_DIM, ) surface_output = self.surface_output_packer.unpack( - surface_output_tensor, axis=self.CHANNEL_DIM + unfold_ensemble_tensor(surface_output_tensor, n_ensemble), + axis=self.CHANNEL_DIM, ) return { **atmosphere_output, diff --git a/fme/ace/stepper/single_module.py b/fme/ace/stepper/single_module.py index a549fd37a..28b450b71 100644 --- a/fme/ace/stepper/single_module.py +++ b/fme/ace/stepper/single_module.py @@ -1098,6 +1098,7 @@ def get_prediction_generator( forcing_data.labels, data_mask=forcing_data.data_mask, stepper_state=ic_batch_data.stepper_state, + n_ensemble=ic_batch_data.n_ensemble, ) @property @@ -1115,21 +1116,47 @@ def predict_generator( labels: BatchLabels | None, data_mask: TensorMapping | None = None, stepper_state: StepperState | None = None, + n_ensemble: int = 1, ) -> Generator[tuple[TensorDict, StepperState | None], None, None]: - state = {k: ic_dict[k].squeeze(self.TIME_DIM) for k in ic_dict} + # The Step operates on an explicit [batch, ensemble, *spatial] leading + # pair (folding the ensemble into the batch only for the network module + # call). The data, masks and state arrive folded as [batch*ensemble, + # ...]; unfold them before each Step call and fold the yielded outputs + # back, so the external contract of this generator stays folded. + unfolded_mask = ( + unfold_ensemble_dim(dict(data_mask), n_ensemble) + if data_mask is not None + else None + ) + stepper_state = ( + stepper_state.unfold_ensemble(n_ensemble) + if stepper_state is not None + else None + ) + # Time-slice the (still folded) forcing/IC, then unfold each per-step + # slice; this keeps the time dim at TIME_DIM rather than shifting it. + state: TensorDict = unfold_ensemble_dim( + {k: ic_dict[k].squeeze(self.TIME_DIM) for k in ic_dict}, n_ensemble + ) for step in range(n_forward_steps): - input_forcing = { - k: ( - forcing_dict[k][:, step] - if k not in self._step_obj.next_step_forcing_names - else forcing_dict[k][:, step + 1] - ) - for k in self._input_only_names - } - next_step_input_dict = { - k: forcing_dict[k][:, step + 1] - for k in self._step_obj.next_step_input_names - } + input_forcing = unfold_ensemble_dim( + { + k: ( + forcing_dict[k][:, step] + if k not in self._step_obj.next_step_forcing_names + else forcing_dict[k][:, step + 1] + ) + for k in self._input_only_names + }, + n_ensemble, + ) + next_step_input_dict = unfold_ensemble_dim( + { + k: forcing_dict[k][:, step + 1] + for k in self._step_obj.next_step_input_names + }, + n_ensemble, + ) input_data = {**state, **input_forcing} def checkpoint(module): @@ -1141,12 +1168,17 @@ def checkpoint(module): input=input_data, next_step_input_data=next_step_input_dict, labels=labels, - data_mask=data_mask, + data_mask=unfolded_mask, stepper_state=stepper_state, ), wrapper=checkpoint, ) - yield state, stepper_state + yield ( + fold_sized_ensemble_dim(EnsembleTensorDict(state), n_ensemble), + stepper_state.fold_ensemble(n_ensemble) + if stepper_state is not None + else None, + ) state = optimizer.detach_if_using_gradient_accumulation(state) def predict( @@ -1674,6 +1706,7 @@ def _accumulate_loss( labels=input_ensemble_data.labels, data_mask=forcing_ensemble_data.data_mask, stepper_state=input_ensemble_data.stepper_state, + n_ensemble=n_ensemble, ) output_list: list[EnsembleTensorDict] = [] output_iterator = iter(output_generator) diff --git a/fme/ace/stepper/test_single_module.py b/fme/ace/stepper/test_single_module.py index 9aa50a84f..376c45ae0 100644 --- a/fme/ace/stepper/test_single_module.py +++ b/fme/ace/stepper/test_single_module.py @@ -1078,7 +1078,7 @@ def _get_train_stepper( def test_step(): stepper = _get_stepper(["a", "b"], ["a", "b"]) n_samples = 3 - input_data = {x: torch.rand(n_samples, 5, 5).to(DEVICE) for x in ["a", "b"]} + input_data = {x: torch.rand(n_samples, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} output, _ = stepper.step( StepArgs(input=input_data, next_step_input_data={}, labels=None) @@ -1091,7 +1091,7 @@ def test_step(): def test_step_with_diagnostic(): stepper = _get_stepper(["a"], ["a", "c"], module_name="RepeatChannel") n_samples = 3 - input_data = {"a": torch.rand(n_samples, 5, 5).to(DEVICE)} + input_data = {"a": torch.rand(n_samples, 1, 5, 5).to(DEVICE)} output, _ = stepper.step( StepArgs(input=input_data, next_step_input_data={}, labels=None) ) @@ -1109,7 +1109,7 @@ def test_step_with_forcing_and_diagnostic(residual_prediction): residual_prediction=residual_prediction, ) n_samples = 3 - input_data = {x: torch.rand(n_samples, 5, 5).to(DEVICE) for x in ["a", "b"]} + input_data = {x: torch.rand(n_samples, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} output, _ = stepper.step( StepArgs(input=input_data, next_step_input_data={}, labels=None) ) @@ -1122,12 +1122,44 @@ def test_step_with_forcing_and_diagnostic(residual_prediction): assert "c" in output +@pytest.mark.parametrize( + "module_name, in_names, out_names", + [ + ("ChannelSum", ["a", "b"], ["a"]), + ("RepeatChannel", ["a"], ["a", "c"]), + ], +) +def test_step_ensemble_members_are_independent(module_name, in_names, out_names): + """A ``[batch, ensemble]`` step must produce, for each ensemble member, + exactly what an independent single-member step on that member's data would + produce. This pins behavior preservation of the fold/unfold around the + network: ensemble members must not be mixed, and the channel dimension must + not be mistaken for the ensemble dimension. + """ + stepper = _get_stepper(in_names, out_names, module_name=module_name) + n_batch, n_ensemble = 2, 3 + input_data = {x: torch.rand(n_batch, n_ensemble, 5, 5).to(DEVICE) for x in in_names} + out, _ = stepper.step( + StepArgs(input=input_data, next_step_input_data={}, labels=None) + ) + for name in out_names: + assert out[name].shape == (n_batch, n_ensemble, 5, 5) + for e in range(n_ensemble): + member_in = {k: v[:, e : e + 1] for k, v in input_data.items()} + member_out, _ = stepper.step( + StepArgs(input=member_in, next_step_input_data={}, labels=None) + ) + assert set(member_out) == set(out) + for name in out: + torch.testing.assert_close(out[name][:, e : e + 1], member_out[name]) + + def test_step_with_prescribed_ocean(): stepper = _get_stepper( ["a", "b"], ["a", "b"], ocean_config=OceanConfig("a", "mask") ) - input_data = {x: torch.rand(3, 5, 5).to(DEVICE) for x in ["a", "b"]} - ocean_data = {x: torch.rand(3, 5, 5).to(DEVICE) for x in ["a", "mask"]} + input_data = {x: torch.rand(3, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} + ocean_data = {x: torch.rand(3, 1, 5, 5).to(DEVICE) for x in ["a", "mask"]} output, _ = stepper.step( StepArgs(input=input_data, next_step_input_data=ocean_data, labels=None) ) @@ -1146,8 +1178,8 @@ def test_prescribe_sst_integration(): stepper = _get_stepper( ["a", "b"], ["a", "b"], ocean_config=OceanConfig("a", "mask") ) - input_data = {x: torch.rand(3, 5, 5).to(DEVICE) for x in ["a", "b"]} - ocean_data = {x: torch.rand(3, 5, 5).to(DEVICE) for x in ["a", "mask"]} + input_data = {x: torch.rand(3, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} + ocean_data = {x: torch.rand(3, 1, 5, 5).to(DEVICE) for x in ["a", "mask"]} prescribed_data = stepper.prescribe_sst( mask_data=ocean_data, gen_data=input_data, @@ -1241,8 +1273,10 @@ def __call__( self.call_count += 1 self.seen_states.append(corrector_state) if corrector_state is None or corrector_state.global_dry_air_mass is None: - n = input_data["a"].shape[0] - seed = input_data["a"].mean(dim=(-1, -2), keepdim=True).reshape(n, 1, 1) + # The corrector sees data with an explicit [batch, ensemble, ...] + # leading pair, so the per-sample state keeps that pair too: + # [batch, ensemble, 1, 1]. + seed = input_data["a"].mean(dim=(-1, -2), keepdim=True) corrector_state = CorrectorState(global_dry_air_mass=seed) else: corrector_state = CorrectorState( @@ -1278,7 +1312,10 @@ def test_predict_threads_stepper_state_across_calls(): pres_after_1 = ic_after_1.stepper_state.corrector_state.global_dry_air_mass assert pres_after_1 is not None # n_steps invocations after seeding: seed + (n_steps - 1) increments. - expected = seeded_1 + float(n_steps - 1) + # ``seeded_1`` is in the corrector-facing [batch, ensemble, 1, 1] frame; + # the returned state is folded to [batch*ensemble, 1, 1], so fold the + # expectation (flatten the leading pair) before comparing. + expected = (seeded_1 + float(n_steps - 1)).flatten(0, 1) torch.testing.assert_close(pres_after_1, expected) # Second predict: feed back the prognostic state from call 1; corrector @@ -1288,7 +1325,11 @@ def test_predict_threads_stepper_state_across_calls(): first_state_call_2 = recording_corrector.seen_states[seen_before_call_2] assert first_state_call_2 is not None assert first_state_call_2.global_dry_air_mass is not None - torch.testing.assert_close(first_state_call_2.global_dry_air_mass, pres_after_1) + # The state the corrector sees is unfolded ([batch, ensemble, 1, 1]); the + # returned state from call 1 is folded. Fold before comparing. + torch.testing.assert_close( + first_state_call_2.global_dry_air_mass.flatten(0, 1), pres_after_1 + ) ic_after_2 = new_state_2.as_batch_data() assert ic_after_2.stepper_state is not None @@ -2078,7 +2119,7 @@ def _step_negative_input(stepper: Stepper) -> tuple[torch.Tensor, torch.Tensor]: The stepper adds one to its input, so the raw prediction is negative everywhere and the force-positive corrector clamps it to zero. """ - input_data = {"a": torch.full((3, 5, 5), -5.0, device=DEVICE)} + input_data = {"a": torch.full((3, 1, 5, 5), -5.0, device=DEVICE)} output, _ = stepper.step( StepArgs(input=input_data, next_step_input_data={}, labels=None) ) @@ -2599,7 +2640,7 @@ def test_step_unmasked_nan_input_raises(): """A NaN input not covered by data_mask raises a located error in step().""" stepper = _get_stepper(["a", "b"], ["a"], module_name="ChannelSum") n_samples = 2 - input_data = {x: torch.rand(n_samples, 5, 5).to(DEVICE) for x in ["a", "b"]} + input_data = {x: torch.rand(n_samples, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} input_data["b"][1] = torch.nan with pytest.raises(ValueError, match=r"NaN found in network input.*\bb\b"): stepper.step(StepArgs(input=input_data, next_step_input_data={}, labels=None)) @@ -2609,9 +2650,9 @@ def test_step_masked_nan_input_does_not_raise(): """A NaN input covered by data_mask is zeroed, so the guard does not fire.""" stepper = _get_stepper(["a", "b"], ["a"], module_name="ChannelSum") n_samples = 2 - input_data = {x: torch.rand(n_samples, 5, 5).to(DEVICE) for x in ["a", "b"]} + input_data = {x: torch.rand(n_samples, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} input_data["b"][1] = torch.nan - data_mask = {"b": torch.tensor([True, False], dtype=torch.bool, device=DEVICE)} + data_mask = {"b": torch.tensor([[True], [False]], dtype=torch.bool, device=DEVICE)} output, _ = stepper.step( StepArgs( input=input_data, diff --git a/fme/core/corrector/state.py b/fme/core/corrector/state.py index 79ed5bd5d..0ca4b02a8 100644 --- a/fme/core/corrector/state.py +++ b/fme/core/corrector/state.py @@ -61,6 +61,32 @@ def broadcast_ensemble(self, n_ensemble: int) -> "CorrectorState": ), ) + def unfold_ensemble(self, n_ensemble: int) -> "CorrectorState": + """Unfold a folded ``[batch * ensemble, ...]`` state into an explicit + ``[batch, ensemble, ...]`` leading pair, matching the layout the Step + operates on. Inverse of :meth:`fold_ensemble`. + """ + if self.global_dry_air_mass is None: + return CorrectorState() + t = self.global_dry_air_mass + return CorrectorState( + global_dry_air_mass=t.reshape( + t.shape[0] // n_ensemble, n_ensemble, *t.shape[1:] + ), + ) + + def fold_ensemble(self, n_ensemble: int) -> "CorrectorState": + """Fold an explicit ``[batch, ensemble, ...]`` state back into a folded + ``[batch * ensemble, ...]`` sample dimension. Inverse of + :meth:`unfold_ensemble`. + """ + if self.global_dry_air_mass is None: + return CorrectorState() + t = self.global_dry_air_mass + return CorrectorState( + global_dry_air_mass=t.reshape(t.shape[0] * n_ensemble, *t.shape[2:]), + ) + def sample_dim_size(self) -> int | None: """Return the leading (sample) dim of any non-None field, or None if empty.""" if self.global_dry_air_mass is not None: diff --git a/fme/core/distributed/parallel_tests/test_step.py b/fme/core/distributed/parallel_tests/test_step.py index 293ae1a30..44f413c90 100644 --- a/fme/core/distributed/parallel_tests/test_step.py +++ b/fme/core/distributed/parallel_tests/test_step.py @@ -222,13 +222,19 @@ def get_multi_call_selector( def get_tensor_dict( - names: list[str], img_shape: tuple[int, int], n_samples: int + names: list[str], + img_shape: tuple[int, int], + n_samples: int, + n_ensemble: int = 1, ) -> TensorDict: + # The step operates on an explicit [batch, ensemble, *spatial] leading + # pair; build inputs with that ensemble dimension (size 1 by default). data_dict = {} device = fme.get_device() for name in names: data_dict[name] = torch.rand( n_samples, + n_ensemble, *img_shape, device=device, ) diff --git a/fme/core/step/args.py b/fme/core/step/args.py index 9cf850ef6..0408455b2 100644 --- a/fme/core/step/args.py +++ b/fme/core/step/args.py @@ -11,17 +11,19 @@ class StepArgs: Parameters: input: Mapping from variable name to tensor of shape - [n_batch, n_lat, n_lon]. This data is used as input for pytorch - module(s) and is assumed to contain all input variables - and be denormalized. + [n_batch, n_ensemble, n_lat, n_lon]. This data is used as input for + pytorch module(s) and is assumed to contain all input variables and + be denormalized. The ensemble dimension is folded into the batch + only for the module call; the rest of the step sees it explicitly. next_step_input_data: Mapping from variable name to tensor of shape - [n_batch, n_lat, n_lon]. This must contain the necessary input - data at the output timestep, such as might be needed to prescribe - sea surface temperature or use a corrector. - labels: Labels for each batch member. + [n_batch, n_ensemble, n_lat, n_lon]. This must contain the necessary + input data at the output timestep, such as might be needed to + prescribe sea surface temperature or use a corrector. + labels: Labels for each batch member, folded as [n_batch * n_ensemble] + to match the folded module call. data_mask: Per-variable, per-sample masks indicating variable - presence. Keys are variable names, values are [n_batch] bool - tensors where True means present and False means masked. + presence. Keys are variable names, values are [n_batch, n_ensemble] + bool tensors where True means present and False means masked. stepper_state: Per-sample state carried across step calls (e.g. corrector references seeded from the IC). ``None`` if no state has been seeded yet. The step returns an updated stepper_state diff --git a/fme/core/step/radiation.py b/fme/core/step/radiation.py index 3af649fd5..c202b2dc2 100644 --- a/fme/core/step/radiation.py +++ b/fme/core/step/radiation.py @@ -22,6 +22,7 @@ from fme.core.step.single_module import step_with_adjustments from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState +from fme.core.tensors import fold_ensemble_tensor, unfold_ensemble_tensor from fme.core.typing_ import TensorDict, TensorMapping @@ -357,12 +358,18 @@ def network_calls(input_norm: TensorDict) -> TensorDict: radiation_input_tensor = self.radiation_in_packer.pack( input_norm, axis=self.CHANNEL_DIM ) + # The modules expect a single folded [batch*ensemble, channel, + # *spatial] sample dimension; fold the explicit ensemble dim in and + # unfold each output back to [batch, ensemble, ...]. + n_ensemble = radiation_input_tensor.shape[1] radiation_output_tensor = self.radiation_module.wrap_module(wrapper)( - radiation_input_tensor, labels=args.labels + fold_ensemble_tensor(radiation_input_tensor, n_ensemble), + labels=args.labels, ) radiation_output_norm = self.radiation_out_packer.unpack( - radiation_output_tensor, axis=self.CHANNEL_DIM + unfold_ensemble_tensor(radiation_output_tensor, n_ensemble), + axis=self.CHANNEL_DIM, ) main_input_data = input_norm.copy() if self._config.detach_radiation: @@ -374,10 +381,11 @@ def network_calls(input_norm: TensorDict) -> TensorDict: main_input_data = {**input_norm, **radiation_output_norm} input_tensor = self.in_packer.pack(main_input_data, axis=self.CHANNEL_DIM) output_tensor = self.module.wrap_module(wrapper)( - input_tensor, labels=args.labels + fold_ensemble_tensor(input_tensor, n_ensemble), labels=args.labels ) main_output_norm = self.out_packer.unpack( - output_tensor, axis=self.CHANNEL_DIM + unfold_ensemble_tensor(output_tensor, n_ensemble), + axis=self.CHANNEL_DIM, ) return { **radiation_output_norm, diff --git a/fme/core/step/secondary_module.py b/fme/core/step/secondary_module.py index ff389109b..ccb9d9945 100644 --- a/fme/core/step/secondary_module.py +++ b/fme/core/step/secondary_module.py @@ -27,6 +27,11 @@ from fme.core.step.single_module import step_with_adjustments from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState +from fme.core.tensors import ( + fold_ensemble_tensor, + unfold_ensemble_dim, + unfold_ensemble_tensor, +) from fme.core.typing_ import TensorDict, TensorMapping @@ -390,17 +395,26 @@ def step( ) -> tuple[TensorDict, StepperState | None]: def network_call(input_norm: TensorDict) -> TensorDict: input_tensor = self.in_packer.pack(input_norm, axis=self.CHANNEL_DIM) - output_tensor = self.module.wrap_module(wrapper)( - input_tensor, + # The modules expect a single folded [batch*ensemble, channel, + # *spatial] sample dimension; fold the explicit ensemble dim in and + # unfold each output back to [batch, ensemble, ...]. + n_ensemble = input_tensor.shape[1] + folded_input = fold_ensemble_tensor(input_tensor, n_ensemble) + folded_output = self.module.wrap_module(wrapper)( + folded_input, labels=args.labels, ) - output_dict = self.out_packer.unpack(output_tensor, axis=self.CHANNEL_DIM) + output_dict = self.out_packer.unpack( + unfold_ensemble_tensor(folded_output, n_ensemble), + axis=self.CHANNEL_DIM, + ) secondary_tensor = self.secondary_module.wrap_module(wrapper)( - input_tensor, + folded_input, labels=args.labels, ) secondary_dict = self.secondary_out_packer.unpack( - secondary_tensor, axis=self.CHANNEL_DIM + unfold_ensemble_tensor(secondary_tensor, n_ensemble), + axis=self.CHANNEL_DIM, ) for name in self._config.secondary_out_names: output_dict[name] = secondary_dict[name] @@ -410,9 +424,9 @@ def network_call(input_norm: TensorDict) -> TensorDict: else: output_dict[name] = input_norm[name] + secondary_dict[name] secondary_output_dict = self.secondary_decoder.wrap_module(wrapper)( - output_tensor.detach() # detach avoids changing base outputs + folded_output.detach() # detach avoids changing base outputs ) - output_dict.update(secondary_output_dict) + output_dict.update(unfold_ensemble_dim(secondary_output_dict, n_ensemble)) return output_dict return step_with_adjustments( diff --git a/fme/core/step/single_module.py b/fme/core/step/single_module.py index 1086c4206..045a8fd80 100644 --- a/fme/core/step/single_module.py +++ b/fme/core/step/single_module.py @@ -36,7 +36,13 @@ ) from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState -from fme.core.typing_ import TensorDict, TensorMapping +from fme.core.tensors import ( + fold_ensemble_tensor, + fold_sized_ensemble_dim, + unfold_ensemble_dim, + unfold_ensemble_tensor, +) +from fme.core.typing_ import EnsembleTensorDict, TensorDict, TensorMapping DEFAULT_TIMESTEP = datetime.timedelta(hours=6) DEFAULT_ENCODED_TIMESTEP = encode_timestep(DEFAULT_TIMESTEP) @@ -396,15 +402,23 @@ def network_call(input_norm: TensorDict) -> TensorDict: input_tensor = torch.cat( [input_tensor, mask_tensor], dim=self.CHANNEL_DIM ) - output_tensor = self.module.wrap_module(wrapper)( - input_tensor, + # The module expects a single folded [batch*ensemble, channel, + # *spatial] sample dimension; fold the explicit ensemble dim in and + # unfold the outputs back to [batch, ensemble, ...]. Labels stay + # folded ([batch*ensemble, ...]) and so already match the module. + n_ensemble = input_tensor.shape[1] + folded_output = self.module.wrap_module(wrapper)( + fold_ensemble_tensor(input_tensor, n_ensemble), labels=args.labels, ) - output_dict = self.out_packer.unpack(output_tensor, axis=self.CHANNEL_DIM) + output_dict = self.out_packer.unpack( + unfold_ensemble_tensor(folded_output, n_ensemble), + axis=self.CHANNEL_DIM, + ) secondary_output_dict = self.secondary_decoder.wrap_module(wrapper)( - output_tensor.detach() # detach avoids changing base outputs + folded_output.detach() # detach avoids changing base outputs ) - output_dict.update(secondary_output_dict) + output_dict.update(unfold_ensemble_dim(secondary_output_dict, n_ensemble)) return output_dict return step_with_adjustments( @@ -490,8 +504,13 @@ def _apply_input_mask(input_norm: TensorDict, data_mask: TensorMapping) -> Tenso result = dict(input_norm) for name, mask in data_mask.items(): if name in result: - # mask shape: [batch], data shape: [batch, ...spatial...] - broadcast_mask = mask.view(mask.shape[0], *([1] * (result[name].ndim - 1))) + # mask shape: [*leading], data shape: [*leading, *spatial], where + # leading is [batch] or [batch, ensemble]. Append singleton spatial + # dims so the mask broadcasts over the spatial dims regardless of how + # many leading (sample/ensemble) dims there are. + broadcast_mask = mask.view( + *mask.shape, *([1] * (result[name].ndim - mask.ndim)) + ) result[name] = torch.where(broadcast_mask, result[name], 0.0) return result @@ -510,10 +529,14 @@ def _build_channel_mask_dict( Args: in_names: Input variable names. - data_mask: Per-variable boolean masks of shape ``[batch]``, or None. + data_mask: Per-variable boolean masks of shape ``[*leading]`` (i.e. + ``[batch]`` or ``[batch, ensemble]``), or None. packed_input: The packed input tensor, used to infer shape and device. + Its leading (non-channel, non-spatial) dims define the mask shape. """ - batch = packed_input.shape[0] + # leading dims = everything except the channel (-3) and spatial (-2, -1) + # dims, i.e. [batch] or [batch, ensemble]. + leading = packed_input.shape[:-3] spatial = packed_input.shape[-2:] device = packed_input.device result: TensorDict = {} @@ -524,13 +547,24 @@ def _build_channel_mask_dict( source = extra_channel_source_field(name) lookup_name = source if source is not None else name if data_mask is not None and lookup_name in data_mask: - mask_1d = data_mask[lookup_name].to(device=device, dtype=torch.float) - result[name] = mask_1d.view(batch, 1, 1).expand(batch, *spatial) + mask = data_mask[lookup_name].to(device=device, dtype=torch.float) + result[name] = mask.view(*leading, 1, 1).expand(*leading, *spatial) else: - result[name] = torch.ones(batch, *spatial, device=device) + result[name] = torch.ones(*leading, *spatial, device=device) return result +def _ensemble_size(data: TensorMapping) -> int: + """Return the size of the explicit ensemble dimension (dim 1) of a + ``[batch, ensemble, *spatial]`` tensor mapping. + + Returns 1 for an empty mapping (no ensemble structure to read). + """ + for v in data.values(): + return v.shape[1] + return 1 + + def step_with_adjustments( input: TensorMapping, next_step_input_data: TensorMapping, @@ -548,16 +582,24 @@ def step_with_adjustments( """ Step the model forward one timestep given input data. + Tensors carry an explicit ``[n_batch, n_ensemble, *spatial]`` leading + dimension pair. The per-sample adjustments here (normalization, global mean + removal, corrector, ocean) operate transparently on that layout; only the + network module call folds the ensemble into the batch dimension (see the + ``network_calls`` closures), since the modules expect a single sample + dimension. + Args: input: Mapping from variable name to tensor of shape - [n_batch, n_lat, n_lon] containing denormalized data from the - initial timestep. In practice this contains the ML inputs. + [n_batch, n_ensemble, *spatial] containing denormalized data from + the initial timestep. In practice this contains the ML inputs. next_step_input_data: Mapping from variable name to tensor of shape - [n_batch, n_lat, n_lon] containing denormalized data from + [n_batch, n_ensemble, *spatial] containing denormalized data from the output timestep. In practice this contains the necessary data at the output timestep for the ocean model and corrector. network_calls: Callable[[TensorMapping], TensorDict] that takes a - normalized input and returns a normalized output. + normalized input and returns a normalized output, both with an + explicit ensemble dimension. normalizer: The normalizer to use. corrector: The corrector to use at the end of each step. ocean: The ocean model to use. @@ -584,16 +626,38 @@ def step_with_adjustments( """ if prescribed_prognostic_names is None: prescribed_prognostic_names = [] + n_ensemble = _ensemble_size(input) gmr_state: GlobalMeanRemovalState | None = None if global_mean_removal is not None: + # Global mean removal reduces every dimension after the leading sample + # dimension, so it must see a single folded sample dimension rather than + # a [batch, ensemble] pair (otherwise it would average across ensemble + # members and mis-shape the offsets). Each ensemble member is an + # independent sample for mean removal, so fold the pair into one + # dimension, transform, and unfold back to the [batch, ensemble] layout. + # This keeps the transform byte-identical to the pre-ensemble code path + # and agnostic to the spatial rank. + folded_input = fold_sized_ensemble_dim( + EnsembleTensorDict(dict(input)), n_ensemble + ) + folded_mask = ( + fold_sized_ensemble_dim(EnsembleTensorDict(dict(data_mask)), n_ensemble) + if data_mask is not None + else None + ) network_input, gmr_state = global_mean_removal.forward_transform( - input, data_mask + folded_input, folded_mask + ) + input_norm = normalizer.normalize( + unfold_ensemble_dim(network_input, n_ensemble) ) - input_norm = normalizer.normalize(network_input) # Synthetic GMR channels are produced in normalized space; merge # them in after normalization so the network sees a single uniform # input dict. - input_norm = {**input_norm, **global_mean_removal.extras_normalized(gmr_state)} + extras = unfold_ensemble_dim( + global_mean_removal.extras_normalized(gmr_state), n_ensemble + ) + input_norm = {**input_norm, **extras} else: input_norm = normalizer.normalize(input) output_norm = network_calls(input_norm) @@ -602,7 +666,13 @@ def step_with_adjustments( output = normalizer.denormalize(output_norm) if global_mean_removal is not None: assert gmr_state is not None - output = global_mean_removal.inverse_transform(output, gmr_state) + output = unfold_ensemble_dim( + global_mean_removal.inverse_transform( + fold_sized_ensemble_dim(EnsembleTensorDict(dict(output)), n_ensemble), + gmr_state, + ), + n_ensemble, + ) if corrector is not None: corrector_state: CorrectorState | None = ( stepper_state.corrector_state if stepper_state is not None else None diff --git a/fme/core/step/test_radiation.py b/fme/core/step/test_radiation.py index 42fa57cbe..743105d34 100644 --- a/fme/core/step/test_radiation.py +++ b/fme/core/step/test_radiation.py @@ -29,13 +29,19 @@ def forward(self, x): def get_tensor_dict( - names: list[str], img_shape: tuple[int, int], n_samples: int + names: list[str], + img_shape: tuple[int, int], + n_samples: int, + n_ensemble: int = 1, ) -> TensorDict: + # The step operates on an explicit [batch, ensemble, *spatial] leading + # pair; build inputs with that ensemble dimension (size 1 by default). data_dict = {} device = fme.get_device() for name in names: data_dict[name] = torch.rand( n_samples, + n_ensemble, *img_shape, device=device, ) diff --git a/fme/core/step/test_step.py b/fme/core/step/test_step.py index 4d8b1dd6c..0063a59e5 100644 --- a/fme/core/step/test_step.py +++ b/fme/core/step/test_step.py @@ -476,13 +476,19 @@ def get_multi_call_selector( def get_tensor_dict( - names: list[str], img_shape: tuple[int, int], n_samples: int + names: list[str], + img_shape: tuple[int, int], + n_samples: int, + n_ensemble: int = 1, ) -> TensorDict: + # The step operates on an explicit [batch, ensemble, *spatial] leading + # pair; build inputs with that ensemble dimension (size 1 by default). data_dict = {} device = fme.get_device() for name in names: data_dict[name] = torch.rand( n_samples, + n_ensemble, *img_shape, device=device, ) @@ -527,8 +533,8 @@ def test_label_conditioned_step(): h_sl, w_sl = dist.get_local_slices(DEFAULT_IMG_SHAPE) local_h = DEFAULT_IMG_SHAPE[0] if h_sl == slice(None) else h_sl.stop - h_sl.start local_w = DEFAULT_IMG_SHAPE[1] if w_sl == slice(None) else w_sl.stop - w_sl.start - assert output["diagnostic_main"].shape == (1, local_h, local_w) - assert output["diagnostic_rad"].shape == (1, local_h, local_w) + assert output["diagnostic_main"].shape == (1, 1, local_h, local_w) + assert output["diagnostic_rad"].shape == (1, 1, local_h, local_w) @pytest.mark.parametrize("config", HAS_NEXT_STEP_FORCING_NAME_CASES) @@ -727,7 +733,7 @@ def test_step_with_prescribed_prognostic_overwrites_output(): step.next_step_input_names, img_shape, n_samples ) prescribed_value = torch.full( - (n_samples,) + img_shape, 42.0, device=fme.get_device() + (n_samples, 1) + img_shape, 42.0, device=fme.get_device() ) next_step_input_data["diagnostic_main"] = prescribed_value output, _ = step.step( @@ -897,8 +903,8 @@ def test_secondary_module_full_field_and_residual(): ) assert "prog" in output assert "diag" in output - assert output["prog"].shape == (2, *img_shape) - assert output["diag"].shape == (2, *img_shape) + assert output["prog"].shape == (2, 1, *img_shape) + assert output["diag"].shape == (2, 1, *img_shape) @pytest.mark.parallel @@ -992,8 +998,8 @@ def test_secondary_module_residual_on_input_only_with_residual_prediction(): input=input_data, next_step_input_data=next_step_input_data, labels=None ), ) - assert output["prog_a"].shape == (2, *img_shape) - assert output["prog_b"].shape == (2, *img_shape) + assert output["prog_a"].shape == (2, 1, *img_shape) + assert output["prog_b"].shape == (2, 1, *img_shape) def test_apply_input_mask_zeros_masked_variables(): @@ -1059,7 +1065,7 @@ def test_step_with_data_mask(): ) data_mask = { "forcing_shared": torch.tensor( - [True, True, False, False], device=fme.get_device() + [[True], [True], [False], [False]], device=fme.get_device() ), } output_no_mask, _ = step.step( @@ -1079,7 +1085,7 @@ def test_step_with_data_mask(): ), ) for name in ["diagnostic_main", "diagnostic_rad"]: - assert output_with_mask[name].shape == (n_samples, *img_shape) + assert output_with_mask[name].shape == (n_samples, 1, *img_shape) torch.testing.assert_close(output_with_mask[name][:2], output_no_mask[name][:2]) assert not torch.allclose(output_with_mask[name][2:], output_no_mask[name][2:]) @@ -1171,7 +1177,7 @@ def test_step_with_include_channel_mask_inputs(): ) data_mask = { "forcing_shared": torch.tensor( - [True, True, False, False], device=fme.get_device() + [[True], [True], [False], [False]], device=fme.get_device() ), } output_no_mask, _ = step.step( @@ -1191,7 +1197,7 @@ def test_step_with_include_channel_mask_inputs(): ), ) for name in ["diagnostic_main", "diagnostic_rad"]: - assert output_with_mask[name].shape == (n_samples, *img_shape) + assert output_with_mask[name].shape == (n_samples, 1, *img_shape) torch.testing.assert_close(output_with_mask[name][:2], output_no_mask[name][:2]) assert not torch.allclose(output_with_mask[name][2:], output_no_mask[name][2:]) @@ -1235,7 +1241,7 @@ def test_step_with_include_channel_mask_inputs_no_data_mask(): ), ) all_unmasked = { - name: torch.ones(n_samples, dtype=torch.bool, device=fme.get_device()) + name: torch.ones(n_samples, 1, dtype=torch.bool, device=fme.get_device()) for name in step.input_names } output_all_unmasked, _ = step.step( @@ -1247,7 +1253,7 @@ def test_step_with_include_channel_mask_inputs_no_data_mask(): ), ) for name in ["diagnostic_main", "diagnostic_rad"]: - assert output_no_mask[name].shape == (n_samples, *img_shape) + assert output_no_mask[name].shape == (n_samples, 1, *img_shape) torch.testing.assert_close(output_no_mask[name], output_all_unmasked[name]) @@ -1309,7 +1315,7 @@ def test_step_shared_global_mean_removal(): args=StepArgs(input=input_data, next_step_input_data=next_step, labels=None), ) for name in out_names: - assert output[name].shape == (n_samples, *DEFAULT_IMG_SHAPE) + assert output[name].shape == (n_samples, 1, *DEFAULT_IMG_SHAPE) def test_step_shared_global_mean_removal_with_extra_channels(): @@ -1334,7 +1340,7 @@ def test_step_shared_global_mean_removal_with_extra_channels(): args=StepArgs(input=input_data, next_step_input_data=next_step, labels=None), ) for name in out_names: - assert output[name].shape == (n_samples, *DEFAULT_IMG_SHAPE) + assert output[name].shape == (n_samples, 1, *DEFAULT_IMG_SHAPE) def test_step_per_channel_global_mean_removal(): @@ -1349,7 +1355,7 @@ def test_step_per_channel_global_mean_removal(): args=StepArgs(input=input_data, next_step_input_data=next_step, labels=None), ) for name in step.output_names: - assert output[name].shape == (n_samples, *DEFAULT_IMG_SHAPE) + assert output[name].shape == (n_samples, 1, *DEFAULT_IMG_SHAPE) def test_step_per_channel_global_mean_removal_with_extra_channels(): @@ -1369,7 +1375,7 @@ def test_step_per_channel_global_mean_removal_with_extra_channels(): args=StepArgs(input=input_data, next_step_input_data=next_step, labels=None), ) for name in step.output_names: - assert output[name].shape == (n_samples, *DEFAULT_IMG_SHAPE) + assert output[name].shape == (n_samples, 1, *DEFAULT_IMG_SHAPE) def _assert_global_mean_removal_affects_output(removal, in_names, out_names, means): @@ -1488,7 +1494,7 @@ def test_step_per_channel_global_mean_removal_with_channel_masks(): args=StepArgs(input=input_data, next_step_input_data=next_step, labels=None), ) for name in out_names: - assert output[name].shape == (n_samples, *DEFAULT_IMG_SHAPE) + assert output[name].shape == (n_samples, 1, *DEFAULT_IMG_SHAPE) def test_step_shared_global_mean_removal_raises_on_masked_reference(): @@ -1509,7 +1515,7 @@ def test_step_shared_global_mean_removal_raises_on_masked_reference(): step.next_step_input_names, DEFAULT_IMG_SHAPE, n_samples ) data_mask = { - "surface_temperature": torch.tensor([True, False], device=fme.get_device()), + "surface_temperature": torch.tensor([[True], [False]], device=fme.get_device()), } with pytest.raises(ValueError, match="masked"): step.step( diff --git a/fme/core/stepper_state.py b/fme/core/stepper_state.py index 25d820303..2787b461d 100644 --- a/fme/core/stepper_state.py +++ b/fme/core/stepper_state.py @@ -56,6 +56,32 @@ def broadcast_ensemble(self, n_ensemble: int) -> "StepperState": ), ) + def unfold_ensemble(self, n_ensemble: int) -> "StepperState": + """Unfold a folded ``[batch * ensemble, ...]`` state into an explicit + ``[batch, ensemble, ...]`` leading pair. Inverse of + :meth:`fold_ensemble`. + """ + return StepperState( + corrector_state=( + None + if self.corrector_state is None + else self.corrector_state.unfold_ensemble(n_ensemble) + ), + ) + + def fold_ensemble(self, n_ensemble: int) -> "StepperState": + """Fold an explicit ``[batch, ensemble, ...]`` state back into a folded + ``[batch * ensemble, ...]`` sample dimension. Inverse of + :meth:`unfold_ensemble`. + """ + return StepperState( + corrector_state=( + None + if self.corrector_state is None + else self.corrector_state.fold_ensemble(n_ensemble) + ), + ) + def sample_dim_size(self) -> int | None: """Return the leading (sample) dim of any non-None sub-state, or None.""" if self.corrector_state is not None: diff --git a/fme/core/tensors.py b/fme/core/tensors.py index f7613307e..b2e881c2e 100644 --- a/fme/core/tensors.py +++ b/fme/core/tensors.py @@ -48,6 +48,26 @@ def add_ensemble_dim(d: TensorMapping, repeats: int = 1) -> EnsembleTensorDict: ) +def fold_ensemble_tensor(t: torch.Tensor, n_ensemble: int) -> torch.Tensor: + """Fold a leading ``[batch, ensemble]`` dimension pair of a single tensor + into one ``[batch * ensemble]`` sample dimension. + + The inverse of :func:`unfold_ensemble_tensor`. Used to hand a + ``[batch, ensemble, channel, *spatial]`` tensor to an ``nn.Module`` that + expects a folded ``[sample, channel, *spatial]`` batch. + """ + return t.reshape(t.shape[0] * n_ensemble, *t.shape[2:]) + + +def unfold_ensemble_tensor(t: torch.Tensor, n_ensemble: int) -> torch.Tensor: + """Unfold the leading ``[batch * ensemble]`` sample dimension of a single + tensor into an explicit ``[batch, ensemble]`` pair. + + The inverse of :func:`fold_ensemble_tensor`. + """ + return t.reshape(t.shape[0] // n_ensemble, n_ensemble, *t.shape[1:]) + + def fold_sized_ensemble_dim(d: EnsembleTensorDict, n_ensemble: int) -> TensorDict: """ Take a tensor dict with an explicit ensemble dimension and fold it into a diff --git a/fme/core/test_tensors.py b/fme/core/test_tensors.py index 7dc079437..bfe3d58ed 100644 --- a/fme/core/test_tensors.py +++ b/fme/core/test_tensors.py @@ -3,9 +3,11 @@ from fme.core.tensors import ( assert_dict_allclose, + fold_ensemble_tensor, fold_sized_ensemble_dim, repeat_interleave_batch_dim, unfold_ensemble_dim, + unfold_ensemble_tensor, ) from fme.core.typing_ import EnsembleTensorDict @@ -105,3 +107,24 @@ def test_unfold_ensemble_dim_increases_dimensionality(): assert set(unfolded.keys()) == {"a"} assert unfolded["a"].shape == (2, 3, 4, 8) torch.testing.assert_close(unfolded["a"], a.reshape(2, 3, 4, 8)) + + +@pytest.mark.parametrize("n_ensemble", [1, 3]) +def test_fold_unfold_ensemble_tensor_round_trip(n_ensemble: int): + # [batch, ensemble, channel, lat, lon] -> [batch*ensemble, ...] -> back. + t = torch.randn(2, n_ensemble, 4, 5, 6) + folded = fold_ensemble_tensor(t, n_ensemble) + assert folded.shape == (2 * n_ensemble, 4, 5, 6) + torch.testing.assert_close(unfold_ensemble_tensor(folded, n_ensemble), t) + + +def test_fold_ensemble_tensor_block_order_matches_unfold_ensemble_dim(): + # fold_ensemble_tensor must use the same block ordering as the dict-level + # unfold/fold helpers so a single tensor and a tensor dict stay aligned. + n_batch, n_ensemble = 3, 2 + t = torch.randn(n_batch, n_ensemble, 4, 8) + folded = fold_ensemble_tensor(t, n_ensemble) + # member e of base sample b lands at row b * n_ensemble + e + for b in range(n_batch): + for e in range(n_ensemble): + torch.testing.assert_close(folded[b * n_ensemble + e], t[b, e]) From 36577f5d1e6bef2a6a92dea80678b5eb89a391be Mon Sep 17 00:00:00 2001 From: Jeremy McGibbon Date: Mon, 22 Jun 2026 16:03:57 +0000 Subject: [PATCH 2/4] Regenerate spatial-parallel step regression baselines for [batch, ensemble] The regression input/output fixtures store tensors, so they must reflect the new [batch, ensemble, *spatial] step contract. The values are unchanged (verified bit-for-bit modulo the size-1 ensemble dim); only a size-1 ensemble dimension is added. Verified under both H=2 and W=2 spatial decompositions. --- .../testdata/multi_call_input.pt | Bin 57821 -> 57053 bytes .../testdata/multi_call_output.pt | Bin 21499 -> 21499 bytes .../testdata/sm_noise_conditioned_input.pt | Bin 58421 -> 57717 bytes .../testdata/sm_noise_conditioned_output.pt | Bin 14981 -> 14981 bytes .../testdata/sm_with_atmos_corr_input.pt | Bin 150953 -> 150377 bytes .../testdata/sm_with_atmos_corr_output.pt | Bin 155624 -> 155560 bytes 6 files changed, 0 insertions(+), 0 deletions(-) diff --git a/fme/core/distributed/parallel_tests/testdata/multi_call_input.pt b/fme/core/distributed/parallel_tests/testdata/multi_call_input.pt index f48b2b803eeaccb3d034445b4381c778493c3819..bdcad76660644400ad0e559ff00d50eea24d4323 100644 GIT binary patch delta 31143 zcmZTv30MqV_n#K+B}pntQc9&=RCCX-#S$%QBq3>4(l*mXk|s-JkFkW1ElZY=eajv~ z_Uzf?wZ!Wsg#S&x?|Xax56_u%&vbwH+b`p zTK;NMu|bHxz}jEgU(sK|UqLGFXx+j!^MyAj(p)DF^Xa&KGy_SI8HewN&dW6`PC1-Q-S2rt$|0YVyH~>RuMDs=J6S 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explicitly, drop the n_ensemble side-channel Per review: the stepper interfaces must not be handed a folded [batch*ensemble, ...] TensorMapping together with an n_ensemble: int that re-interprets its combined leading dimension. Instead the explicit [batch, ensemble, *spatial] layout flows through, folding only at the encapsulated storage/IO boundaries. - BatchData keeps its folded `data` + `n_ensemble` as encapsulated storage and now exposes `ensemble_data` (already present) plus `ensemble_data_mask` and `ensemble_stepper_state`, all deriving the explicit [batch, ensemble, ...] view (ensemble length 1 is valid even before broadcast_ensemble). - Stepper.predict_generator no longer takes n_ensemble: it consumes the explicit ensemble views (time at dim 2), threads [batch, ensemble, ...] through the step, and yields that layout directly. Callers pass `.ensemble_data` / `.ensemble_data_mask` / `.ensemble_stepper_state`; _accumulate_loss drops its post-yield unfold. - process_prediction_generator_list consumes the explicit yields and folds back into BatchData's folded storage at that one boundary (deriving n_ensemble from the shape, no argument). - The coupled stepper drives its components over a flat batch; it folds the components' explicit yields back at the boundary and treats the component initial conditions as a flat (n_ensemble=1) view, matching the freshly built component forcings. A deeper coupled migration is a separate follow-up. Behavior-preserving: ace step/stepper, coupled, inference, aggregator and the spatial-parallel regression suites all pass unchanged. --- fme/ace/data_loading/batch_data.py | 27 ++++++- fme/ace/stepper/single_module.py | 120 ++++++++++++----------------- fme/coupled/stepper.py | 76 +++++++++++++----- 3 files changed, 132 insertions(+), 91 deletions(-) diff --git a/fme/ace/data_loading/batch_data.py b/fme/ace/data_loading/batch_data.py index c4adefc6e..83ac4eb0b 100644 --- a/fme/ace/data_loading/batch_data.py +++ b/fme/ace/data_loading/batch_data.py @@ -213,13 +213,34 @@ def n_timesteps(self) -> int: @property def ensemble_data(self) -> EnsembleTensorDict: """ - Add an explicit ensemble dimension to a data tensor dict. + The data with an explicit ``[batch, ensemble, time, *spatial]`` layout. - Returns: - The tensor dict with an explicit ensemble dimension. + Derived from the folded ``data`` and ``n_ensemble`` (an ensemble length + of 1 is valid even before ``broadcast_ensemble`` is called). Consumers + that need the ensemble dimension should read this rather than ``data`` + plus an ``n_ensemble`` argument. """ return unfold_ensemble_dim(TensorDict(self.data), n_ensemble=self.n_ensemble) + @property + def ensemble_data_mask(self) -> TensorMapping | None: + """The per-variable ``data_mask`` with an explicit ``[batch, ensemble]`` + layout, or ``None``. Companion to :attr:`ensemble_data`. + """ + if self.data_mask is None: + return None + return unfold_ensemble_dim(dict(self.data_mask), n_ensemble=self.n_ensemble) + + @property + def ensemble_stepper_state(self) -> "StepperState | None": + """The ``stepper_state`` with its per-sample tensors carrying an explicit + ``[batch, ensemble, ...]`` leading pair, or ``None``. Companion to + :attr:`ensemble_data`. + """ + if self.stepper_state is None: + return None + return self.stepper_state.unfold_ensemble(self.n_ensemble) + def to_device(self) -> "BatchData": device = get_device() return self.__class__( diff --git a/fme/ace/stepper/single_module.py b/fme/ace/stepper/single_module.py index 28b450b71..6fea83661 100644 --- a/fme/ace/stepper/single_module.py +++ b/fme/ace/stepper/single_module.py @@ -496,26 +496,33 @@ def process_ensemble_prediction_generator_list( def process_prediction_generator_list( output_list: list[tuple[TensorDict, StepperState | None]], time: xr.DataArray, - n_ensemble: int, labels: BatchLabels | None = None, horizontal_dims: list[str] | None = None, ) -> BatchData: """Stack per-step outputs into a single BatchData. - Attaches the terminal stepper_state (from the last entry in - ``output_list``) to the returned BatchData so it can propagate to the - next ``Stepper.predict`` call. + The generator yields the explicit ``[batch, ensemble, *spatial]`` layout; + this stacks over time into ``[batch, ensemble, time, *spatial]`` and folds + the ensemble back into the batch only at this storage boundary (BatchData + holds the folded ``data`` + ``n_ensemble``). Attaches the terminal + stepper_state (from the last entry in ``output_list``) so it can propagate + to the next ``Stepper.predict`` call. """ output_dicts = [item[0] for item in output_list] terminal_state = output_list[-1][1] if output_list else None - output_timeseries = stack_list_of_tensor_dicts(output_dicts, time_dim=1) + output_timeseries = EnsembleTensorDict( + stack_list_of_tensor_dicts(output_dicts, time_dim=2) + ) + folded_data, n_ensemble = fold_ensemble_dim(output_timeseries) return BatchData.new_on_device( - data=output_timeseries, + data=folded_data, time=time, horizontal_dims=horizontal_dims, labels=labels, n_ensemble=n_ensemble, - stepper_state=terminal_state, + stepper_state=( + None if terminal_state is None else terminal_state.fold_ensemble(n_ensemble) + ), ) @@ -1088,17 +1095,14 @@ def get_prediction_generator( "Initial condition and forcing data must have the same labels, " f"got {ic_batch_data.labels} and {forcing_data.labels}." ) - ic_dict = ic_batch_data.data - forcing_dict = forcing_data.data return self.predict_generator( - ic_dict, - forcing_dict, + ic_batch_data.ensemble_data, + forcing_data.ensemble_data, n_forward_steps, optimizer, forcing_data.labels, - data_mask=forcing_data.data_mask, - stepper_state=ic_batch_data.stepper_state, - n_ensemble=ic_batch_data.n_ensemble, + data_mask=forcing_data.ensemble_data_mask, + stepper_state=ic_batch_data.ensemble_stepper_state, ) @property @@ -1109,54 +1113,35 @@ def _input_only_names(self) -> list[str]: def predict_generator( self, - ic_dict: TensorMapping, - forcing_dict: TensorMapping, + ic_data: TensorMapping, + forcing_data: TensorMapping, n_forward_steps: int, optimizer: OptimizationABC, labels: BatchLabels | None, data_mask: TensorMapping | None = None, stepper_state: StepperState | None = None, - n_ensemble: int = 1, ) -> Generator[tuple[TensorDict, StepperState | None], None, None]: - # The Step operates on an explicit [batch, ensemble, *spatial] leading - # pair (folding the ensemble into the batch only for the network module - # call). The data, masks and state arrive folded as [batch*ensemble, - # ...]; unfold them before each Step call and fold the yielded outputs - # back, so the external contract of this generator stays folded. - unfolded_mask = ( - unfold_ensemble_dim(dict(data_mask), n_ensemble) - if data_mask is not None - else None - ) - stepper_state = ( - stepper_state.unfold_ensemble(n_ensemble) - if stepper_state is not None - else None - ) - # Time-slice the (still folded) forcing/IC, then unfold each per-step - # slice; this keeps the time dim at TIME_DIM rather than shifting it. - state: TensorDict = unfold_ensemble_dim( - {k: ic_dict[k].squeeze(self.TIME_DIM) for k in ic_dict}, n_ensemble - ) + # All tensors carry an explicit [batch, ensemble, time, *spatial] layout + # (e.g. BatchData.ensemble_data / ensemble_data_mask / ensemble_stepper_ + # state). The ensemble dimension is never folded into the batch outside + # the nn.Module call, which folds transiently inside the Step; the + # generator yields the same explicit layout. The time dimension is thus + # one past TIME_DIM (the ensemble dim is inserted before it). + time_dim = self.TIME_DIM + 1 + state = {k: ic_data[k].squeeze(time_dim) for k in ic_data} for step in range(n_forward_steps): - input_forcing = unfold_ensemble_dim( - { - k: ( - forcing_dict[k][:, step] - if k not in self._step_obj.next_step_forcing_names - else forcing_dict[k][:, step + 1] - ) - for k in self._input_only_names - }, - n_ensemble, - ) - next_step_input_dict = unfold_ensemble_dim( - { - k: forcing_dict[k][:, step + 1] - for k in self._step_obj.next_step_input_names - }, - n_ensemble, - ) + input_forcing = { + k: ( + forcing_data[k][:, :, step] + if k not in self._step_obj.next_step_forcing_names + else forcing_data[k][:, :, step + 1] + ) + for k in self._input_only_names + } + next_step_input_dict = { + k: forcing_data[k][:, :, step + 1] + for k in self._step_obj.next_step_input_names + } input_data = {**state, **input_forcing} def checkpoint(module): @@ -1168,17 +1153,12 @@ def checkpoint(module): input=input_data, next_step_input_data=next_step_input_dict, labels=labels, - data_mask=unfolded_mask, + data_mask=data_mask, stepper_state=stepper_state, ), wrapper=checkpoint, ) - yield ( - fold_sized_ensemble_dim(EnsembleTensorDict(state), n_ensemble), - stepper_state.fold_ensemble(n_ensemble) - if stepper_state is not None - else None, - ) + yield state, stepper_state state = optimizer.detach_if_using_gradient_accumulation(state) def predict( @@ -1244,7 +1224,6 @@ def predict( time=forcing_data.time[:, self.n_ic_timesteps :], horizontal_dims=forcing_data.horizontal_dims, labels=forcing.labels, - n_ensemble=forcing.n_ensemble, ) if compute_derived_variables: with timer.context("compute_derived_variables"): @@ -1699,14 +1678,13 @@ def _accumulate_loss( input_ensemble_data = input_data.as_batch_data().broadcast_ensemble(n_ensemble) forcing_ensemble_data = data.broadcast_ensemble(n_ensemble) output_generator = self._stepper.predict_generator( - input_ensemble_data.data, - forcing_ensemble_data.data, + input_ensemble_data.ensemble_data, + forcing_ensemble_data.ensemble_data, n_forward_steps, optimization, labels=input_ensemble_data.labels, - data_mask=forcing_ensemble_data.data_mask, - stepper_state=input_ensemble_data.stepper_state, - n_ensemble=n_ensemble, + data_mask=forcing_ensemble_data.ensemble_data_mask, + stepper_state=input_ensemble_data.ensemble_stepper_state, ) output_list: list[EnsembleTensorDict] = [] output_iterator = iter(output_generator) @@ -1721,8 +1699,10 @@ def _accumulate_loss( contextlib.nullcontext() if optimize_step else torch.no_grad() ) with grad_context: - gen_step, _ = next(output_iterator) - gen_step = unfold_ensemble_dim(gen_step, n_ensemble=n_ensemble) + # The generator yields the explicit [batch, ensemble, *spatial] + # layout directly. + raw_gen_step, _ = next(output_iterator) + gen_step = EnsembleTensorDict(raw_gen_step) output_list.append(gen_step) target_step = add_ensemble_dim( { diff --git a/fme/coupled/stepper.py b/fme/coupled/stepper.py index 58345ccf6..2286d0cbc 100644 --- a/fme/coupled/stepper.py +++ b/fme/coupled/stepper.py @@ -44,7 +44,7 @@ from fme.core.ocean import OceanConfig from fme.core.ocean_data import OCEAN_FIELD_NAME_PREFIXES, OceanData from fme.core.optimization import NullOptimization -from fme.core.tensors import add_ensemble_dim, unfold_ensemble_dim +from fme.core.tensors import add_ensemble_dim, fold_ensemble_dim, unfold_ensemble_dim from fme.core.timing import GlobalTimer from fme.core.training_history import TrainingHistory, TrainingJob from fme.core.typing_ import EnsembleTensorDict, TensorDict, TensorMapping @@ -1075,8 +1075,22 @@ def get_prediction_generator( f"{self.n_ic_timesteps} timesteps, got " f"{initial_condition.ocean_data.as_batch_data().n_timesteps}." ) - atmos_ic_state = initial_condition.atmosphere_data - ocean_ic_state = initial_condition.ocean_data + # The coupled stepper drives its components over a flat batch*ensemble + # dimension (the outer ensemble is reconstructed only at the coupled + # loss). The component initial conditions come from broadcast data and + # carry n_ensemble>1; reset to a flat view so they match the freshly + # built component forcings (n_ensemble=1) when the component Stepper + # reads BatchData.ensemble_data. + atmos_ic_state = PrognosticState( + dataclasses.replace( + initial_condition.atmosphere_data.as_batch_data(), n_ensemble=1 + ) + ) + ocean_ic_state = PrognosticState( + dataclasses.replace( + initial_condition.ocean_data.as_batch_data(), n_ensemble=1 + ) + ) n_outer_steps = forcing_data.ocean_data.n_timesteps - self.n_ic_timesteps @@ -1114,7 +1128,15 @@ def get_prediction_generator( # predict and yield atmosphere steps for i_inner in range(self.n_inner_steps): atmos_step_num = i_outer * self.n_inner_steps + i_inner - atmos_step, _ = next(atmos_generator) + # The component Stepper yields the explicit [batch, ensemble, + # *spatial] layout; the coupled stepper still threads folded + # component state internally (a separate follow-up to migrate), + # and drives the components over a flat batch (their BatchData + # has n_ensemble=1, so the yielded ensemble dim is size 1). Fold + # that dim back in using its own size, not the outer ensemble. + atmos_step = fold_ensemble_dim( + EnsembleTensorDict(next(atmos_generator)[0]) + )[0] yield ComponentStepPrediction( realm="atmosphere", data=atmos_step, @@ -1144,17 +1166,23 @@ def get_prediction_generator( time=ocean_window.time, labels=ocean_window.labels, ) - # predict and yield a single ocean step - ocean_step, _ = next( - iter( - self.ocean.get_prediction_generator( - ocean_ic_state, - ocean_forcings, - n_forward_steps=1, - optimizer=optimizer, - ) + # predict a single ocean step; fold the explicit [batch, ensemble, + # *spatial] yield back into the folded layout the coupled stepper + # threads internally (see the atmosphere step above). + ocean_step = fold_ensemble_dim( + EnsembleTensorDict( + next( + iter( + self.ocean.get_prediction_generator( + ocean_ic_state, + ocean_forcings, + n_forward_steps=1, + optimizer=optimizer, + ) + ) + )[0] ) - ) + )[0] yield ComponentStepPrediction( realm="ocean", data=ocean_step, @@ -1191,19 +1219,31 @@ def _process_prediction_generator_list( output_list: list[ComponentStepPrediction], forcing_data: CoupledBatchData, ) -> CoupledBatchData: + # process_prediction_generator_list consumes the explicit + # [batch, ensemble, *spatial] layout. The coupled stepper still carries + # folded component data internally (a separate follow-up to migrate), + # so unfold it at this boundary. + atmos_n_ensemble = forcing_data.atmosphere_data.n_ensemble + ocean_n_ensemble = forcing_data.ocean_data.n_ensemble atmos_data = process_prediction_generator_list( - [(x.data, None) for x in output_list if x.realm == "atmosphere"], + [ + (unfold_ensemble_dim(x.data, n_ensemble=atmos_n_ensemble), None) + for x in output_list + if x.realm == "atmosphere" + ], time=forcing_data.atmosphere_data.time[:, self.atmosphere.n_ic_timesteps :], horizontal_dims=forcing_data.atmosphere_data.horizontal_dims, labels=forcing_data.atmosphere_data.labels, - n_ensemble=forcing_data.atmosphere_data.n_ensemble, ) ocean_data = process_prediction_generator_list( - [(x.data, None) for x in output_list if x.realm == "ocean"], + [ + (unfold_ensemble_dim(x.data, n_ensemble=ocean_n_ensemble), None) + for x in output_list + if x.realm == "ocean" + ], time=forcing_data.ocean_data.time[:, self.ocean.n_ic_timesteps :], horizontal_dims=forcing_data.ocean_data.horizontal_dims, labels=forcing_data.ocean_data.labels, - n_ensemble=forcing_data.ocean_data.n_ensemble, ) return CoupledBatchData(ocean_data=ocean_data, atmosphere_data=atmos_data) From faa50ec7a3b77c2832174230388a3aaa84c577cf Mon Sep 17 00:00:00 2001 From: Jeremy McGibbon Date: Mon, 22 Jun 2026 20:14:16 +0000 Subject: [PATCH 4/4] Address review: drop the ensemble accessors, fold at the step entry Per review comments on #1302: - Remove BatchData.ensemble_data_mask and ensemble_stepper_state. The data_mask is constant across ensemble members, so it stays per-sample and broadcasts at apply; the stepper_state stays in its folded layout. - step_with_adjustments now folds the explicit [batch, ensemble] data into the batch at entry (each ensemble member is an independent sample) and unfolds the output, running the existing per-sample body on the folded data. This reverts the per-op network_call / mask-helper / global-mean-removal / corrector changes back to main, and drops the CorrectorState/StepperState fold-helpers and the single-tensor fold/unfold tensor helpers. - predict_generator consumes BatchData.ensemble_data (self-describing, no n_ensemble argument) but takes data_mask/stepper_state in their folded form. - Revert the predict_generator parameter rename (ic_dict/forcing_dict). - Keep Stepper.TIME_DIM = 1 (the coupled stepper indexes its folded component data via it); predict_generator uses a local time_dim = TIME_DIM + 1. Behavior-preserving: the step body is byte-identical to main on the folded batch. ace step/stepper, coupled, inference, aggregator and the spatial-parallel regression suites pass. --- fme/ace/data_loading/batch_data.py | 27 +----- fme/ace/step/fcn3.py | 15 +--- fme/ace/stepper/single_module.py | 39 ++++----- fme/ace/stepper/test_single_module.py | 19 ++--- fme/core/corrector/state.py | 26 ------ fme/core/step/args.py | 20 ++--- fme/core/step/radiation.py | 16 +--- fme/core/step/secondary_module.py | 28 ++---- fme/core/step/single_module.py | 117 ++++++++------------------ fme/core/step/test_step.py | 8 +- fme/core/stepper_state.py | 26 ------ fme/core/tensors.py | 20 ----- fme/core/test_tensors.py | 23 ----- 13 files changed, 87 insertions(+), 297 deletions(-) diff --git a/fme/ace/data_loading/batch_data.py b/fme/ace/data_loading/batch_data.py index 83ac4eb0b..c4adefc6e 100644 --- a/fme/ace/data_loading/batch_data.py +++ b/fme/ace/data_loading/batch_data.py @@ -213,34 +213,13 @@ def n_timesteps(self) -> int: @property def ensemble_data(self) -> EnsembleTensorDict: """ - The data with an explicit ``[batch, ensemble, time, *spatial]`` layout. + Add an explicit ensemble dimension to a data tensor dict. - Derived from the folded ``data`` and ``n_ensemble`` (an ensemble length - of 1 is valid even before ``broadcast_ensemble`` is called). Consumers - that need the ensemble dimension should read this rather than ``data`` - plus an ``n_ensemble`` argument. + Returns: + The tensor dict with an explicit ensemble dimension. """ return unfold_ensemble_dim(TensorDict(self.data), n_ensemble=self.n_ensemble) - @property - def ensemble_data_mask(self) -> TensorMapping | None: - """The per-variable ``data_mask`` with an explicit ``[batch, ensemble]`` - layout, or ``None``. Companion to :attr:`ensemble_data`. - """ - if self.data_mask is None: - return None - return unfold_ensemble_dim(dict(self.data_mask), n_ensemble=self.n_ensemble) - - @property - def ensemble_stepper_state(self) -> "StepperState | None": - """The ``stepper_state`` with its per-sample tensors carrying an explicit - ``[batch, ensemble, ...]`` leading pair, or ``None``. Companion to - :attr:`ensemble_data`. - """ - if self.stepper_state is None: - return None - return self.stepper_state.unfold_ensemble(self.n_ensemble) - def to_device(self) -> "BatchData": device = get_device() return self.__class__( diff --git a/fme/ace/step/fcn3.py b/fme/ace/step/fcn3.py index 3bd72ab52..51c9706d3 100644 --- a/fme/ace/step/fcn3.py +++ b/fme/ace/step/fcn3.py @@ -26,7 +26,6 @@ from fme.core.step.single_module import step_with_adjustments from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState -from fme.core.tensors import fold_ensemble_tensor, unfold_ensemble_tensor from fme.core.typing_ import TensorDict, TensorMapping DEFAULT_TIMESTEP = datetime.timedelta(hours=6) @@ -457,22 +456,14 @@ def network_call(input_norm: TensorDict) -> TensorDict: surface_tensor = self.surface_input_packer.pack( input_norm, axis=self.CHANNEL_DIM ) - # The module expects a single folded [batch*ensemble, channel, - # *spatial] sample dimension; fold the explicit ensemble dim in and - # unfold the outputs back to [batch, ensemble, ...]. - n_ensemble = atmosphere_tensor.shape[1] atmosphere_output_tensor, surface_output_tensor = wrapper(self.module)( - fold_ensemble_tensor(atmosphere_tensor, n_ensemble), - fold_ensemble_tensor(surface_tensor, n_ensemble), - fold_ensemble_tensor(forcing_tensor, n_ensemble), + atmosphere_tensor, surface_tensor, forcing_tensor ) atmosphere_output = self.atmosphere_output_packer.unpack( - unfold_ensemble_tensor(atmosphere_output_tensor, n_ensemble), - axis=self.CHANNEL_DIM, + atmosphere_output_tensor, axis=self.CHANNEL_DIM ) surface_output = self.surface_output_packer.unpack( - unfold_ensemble_tensor(surface_output_tensor, n_ensemble), - axis=self.CHANNEL_DIM, + surface_output_tensor, axis=self.CHANNEL_DIM ) return { **atmosphere_output, diff --git a/fme/ace/stepper/single_module.py b/fme/ace/stepper/single_module.py index 6fea83661..44e5928e0 100644 --- a/fme/ace/stepper/single_module.py +++ b/fme/ace/stepper/single_module.py @@ -505,8 +505,8 @@ def process_prediction_generator_list( this stacks over time into ``[batch, ensemble, time, *spatial]`` and folds the ensemble back into the batch only at this storage boundary (BatchData holds the folded ``data`` + ``n_ensemble``). Attaches the terminal - stepper_state (from the last entry in ``output_list``) so it can propagate - to the next ``Stepper.predict`` call. + stepper_state (from the last entry in ``output_list``, already in the folded + layout) so it can propagate to the next ``Stepper.predict`` call. """ output_dicts = [item[0] for item in output_list] terminal_state = output_list[-1][1] if output_list else None @@ -520,9 +520,7 @@ def process_prediction_generator_list( horizontal_dims=horizontal_dims, labels=labels, n_ensemble=n_ensemble, - stepper_state=( - None if terminal_state is None else terminal_state.fold_ensemble(n_ensemble) - ), + stepper_state=terminal_state, ) @@ -1101,8 +1099,8 @@ def get_prediction_generator( n_forward_steps, optimizer, forcing_data.labels, - data_mask=forcing_data.ensemble_data_mask, - stepper_state=ic_batch_data.ensemble_stepper_state, + data_mask=forcing_data.data_mask, + stepper_state=ic_batch_data.stepper_state, ) @property @@ -1113,33 +1111,32 @@ def _input_only_names(self) -> list[str]: def predict_generator( self, - ic_data: TensorMapping, - forcing_data: TensorMapping, + ic_dict: TensorMapping, + forcing_dict: TensorMapping, n_forward_steps: int, optimizer: OptimizationABC, labels: BatchLabels | None, data_mask: TensorMapping | None = None, stepper_state: StepperState | None = None, ) -> Generator[tuple[TensorDict, StepperState | None], None, None]: - # All tensors carry an explicit [batch, ensemble, time, *spatial] layout - # (e.g. BatchData.ensemble_data / ensemble_data_mask / ensemble_stepper_ - # state). The ensemble dimension is never folded into the batch outside - # the nn.Module call, which folds transiently inside the Step; the - # generator yields the same explicit layout. The time dimension is thus - # one past TIME_DIM (the ensemble dim is inserted before it). + # ic/forcing carry an explicit [batch, ensemble, time, *spatial] layout + # (BatchData.ensemble_data); the Step folds the ensemble into the batch + # internally and yields the same explicit layout. data_mask and + # stepper_state stay in their folded [batch*ensemble, ...] layout. The + # ensemble dim sits before time here, so time is at TIME_DIM + 1. time_dim = self.TIME_DIM + 1 - state = {k: ic_data[k].squeeze(time_dim) for k in ic_data} + state = {k: ic_dict[k].squeeze(time_dim) for k in ic_dict} for step in range(n_forward_steps): input_forcing = { k: ( - forcing_data[k][:, :, step] + forcing_dict[k].select(time_dim, step) if k not in self._step_obj.next_step_forcing_names - else forcing_data[k][:, :, step + 1] + else forcing_dict[k].select(time_dim, step + 1) ) for k in self._input_only_names } next_step_input_dict = { - k: forcing_data[k][:, :, step + 1] + k: forcing_dict[k].select(time_dim, step + 1) for k in self._step_obj.next_step_input_names } input_data = {**state, **input_forcing} @@ -1683,8 +1680,8 @@ def _accumulate_loss( n_forward_steps, optimization, labels=input_ensemble_data.labels, - data_mask=forcing_ensemble_data.ensemble_data_mask, - stepper_state=input_ensemble_data.ensemble_stepper_state, + data_mask=forcing_ensemble_data.data_mask, + stepper_state=input_ensemble_data.stepper_state, ) output_list: list[EnsembleTensorDict] = [] output_iterator = iter(output_generator) diff --git a/fme/ace/stepper/test_single_module.py b/fme/ace/stepper/test_single_module.py index 376c45ae0..b71550612 100644 --- a/fme/ace/stepper/test_single_module.py +++ b/fme/ace/stepper/test_single_module.py @@ -1273,10 +1273,8 @@ def __call__( self.call_count += 1 self.seen_states.append(corrector_state) if corrector_state is None or corrector_state.global_dry_air_mass is None: - # The corrector sees data with an explicit [batch, ensemble, ...] - # leading pair, so the per-sample state keeps that pair too: - # [batch, ensemble, 1, 1]. - seed = input_data["a"].mean(dim=(-1, -2), keepdim=True) + n = input_data["a"].shape[0] + seed = input_data["a"].mean(dim=(-1, -2), keepdim=True).reshape(n, 1, 1) corrector_state = CorrectorState(global_dry_air_mass=seed) else: corrector_state = CorrectorState( @@ -1312,10 +1310,7 @@ def test_predict_threads_stepper_state_across_calls(): pres_after_1 = ic_after_1.stepper_state.corrector_state.global_dry_air_mass assert pres_after_1 is not None # n_steps invocations after seeding: seed + (n_steps - 1) increments. - # ``seeded_1`` is in the corrector-facing [batch, ensemble, 1, 1] frame; - # the returned state is folded to [batch*ensemble, 1, 1], so fold the - # expectation (flatten the leading pair) before comparing. - expected = (seeded_1 + float(n_steps - 1)).flatten(0, 1) + expected = seeded_1 + float(n_steps - 1) torch.testing.assert_close(pres_after_1, expected) # Second predict: feed back the prognostic state from call 1; corrector @@ -1325,11 +1320,7 @@ def test_predict_threads_stepper_state_across_calls(): first_state_call_2 = recording_corrector.seen_states[seen_before_call_2] assert first_state_call_2 is not None assert first_state_call_2.global_dry_air_mass is not None - # The state the corrector sees is unfolded ([batch, ensemble, 1, 1]); the - # returned state from call 1 is folded. Fold before comparing. - torch.testing.assert_close( - first_state_call_2.global_dry_air_mass.flatten(0, 1), pres_after_1 - ) + torch.testing.assert_close(first_state_call_2.global_dry_air_mass, pres_after_1) ic_after_2 = new_state_2.as_batch_data() assert ic_after_2.stepper_state is not None @@ -2652,7 +2643,7 @@ def test_step_masked_nan_input_does_not_raise(): n_samples = 2 input_data = {x: torch.rand(n_samples, 1, 5, 5).to(DEVICE) for x in ["a", "b"]} input_data["b"][1] = torch.nan - data_mask = {"b": torch.tensor([[True], [False]], dtype=torch.bool, device=DEVICE)} + data_mask = {"b": torch.tensor([True, False], dtype=torch.bool, device=DEVICE)} output, _ = stepper.step( StepArgs( input=input_data, diff --git a/fme/core/corrector/state.py b/fme/core/corrector/state.py index 0ca4b02a8..79ed5bd5d 100644 --- a/fme/core/corrector/state.py +++ b/fme/core/corrector/state.py @@ -61,32 +61,6 @@ def broadcast_ensemble(self, n_ensemble: int) -> "CorrectorState": ), ) - def unfold_ensemble(self, n_ensemble: int) -> "CorrectorState": - """Unfold a folded ``[batch * ensemble, ...]`` state into an explicit - ``[batch, ensemble, ...]`` leading pair, matching the layout the Step - operates on. Inverse of :meth:`fold_ensemble`. - """ - if self.global_dry_air_mass is None: - return CorrectorState() - t = self.global_dry_air_mass - return CorrectorState( - global_dry_air_mass=t.reshape( - t.shape[0] // n_ensemble, n_ensemble, *t.shape[1:] - ), - ) - - def fold_ensemble(self, n_ensemble: int) -> "CorrectorState": - """Fold an explicit ``[batch, ensemble, ...]`` state back into a folded - ``[batch * ensemble, ...]`` sample dimension. Inverse of - :meth:`unfold_ensemble`. - """ - if self.global_dry_air_mass is None: - return CorrectorState() - t = self.global_dry_air_mass - return CorrectorState( - global_dry_air_mass=t.reshape(t.shape[0] * n_ensemble, *t.shape[2:]), - ) - def sample_dim_size(self) -> int | None: """Return the leading (sample) dim of any non-None field, or None if empty.""" if self.global_dry_air_mass is not None: diff --git a/fme/core/step/args.py b/fme/core/step/args.py index 0408455b2..9cf850ef6 100644 --- a/fme/core/step/args.py +++ b/fme/core/step/args.py @@ -11,19 +11,17 @@ class StepArgs: Parameters: input: Mapping from variable name to tensor of shape - [n_batch, n_ensemble, n_lat, n_lon]. This data is used as input for - pytorch module(s) and is assumed to contain all input variables and - be denormalized. The ensemble dimension is folded into the batch - only for the module call; the rest of the step sees it explicitly. + [n_batch, n_lat, n_lon]. This data is used as input for pytorch + module(s) and is assumed to contain all input variables + and be denormalized. next_step_input_data: Mapping from variable name to tensor of shape - [n_batch, n_ensemble, n_lat, n_lon]. This must contain the necessary - input data at the output timestep, such as might be needed to - prescribe sea surface temperature or use a corrector. - labels: Labels for each batch member, folded as [n_batch * n_ensemble] - to match the folded module call. + [n_batch, n_lat, n_lon]. This must contain the necessary input + data at the output timestep, such as might be needed to prescribe + sea surface temperature or use a corrector. + labels: Labels for each batch member. data_mask: Per-variable, per-sample masks indicating variable - presence. Keys are variable names, values are [n_batch, n_ensemble] - bool tensors where True means present and False means masked. + presence. Keys are variable names, values are [n_batch] bool + tensors where True means present and False means masked. stepper_state: Per-sample state carried across step calls (e.g. corrector references seeded from the IC). ``None`` if no state has been seeded yet. The step returns an updated stepper_state diff --git a/fme/core/step/radiation.py b/fme/core/step/radiation.py index c202b2dc2..3af649fd5 100644 --- a/fme/core/step/radiation.py +++ b/fme/core/step/radiation.py @@ -22,7 +22,6 @@ from fme.core.step.single_module import step_with_adjustments from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState -from fme.core.tensors import fold_ensemble_tensor, unfold_ensemble_tensor from fme.core.typing_ import TensorDict, TensorMapping @@ -358,18 +357,12 @@ def network_calls(input_norm: TensorDict) -> TensorDict: radiation_input_tensor = self.radiation_in_packer.pack( input_norm, axis=self.CHANNEL_DIM ) - # The modules expect a single folded [batch*ensemble, channel, - # *spatial] sample dimension; fold the explicit ensemble dim in and - # unfold each output back to [batch, ensemble, ...]. - n_ensemble = radiation_input_tensor.shape[1] radiation_output_tensor = self.radiation_module.wrap_module(wrapper)( - fold_ensemble_tensor(radiation_input_tensor, n_ensemble), - labels=args.labels, + radiation_input_tensor, labels=args.labels ) radiation_output_norm = self.radiation_out_packer.unpack( - unfold_ensemble_tensor(radiation_output_tensor, n_ensemble), - axis=self.CHANNEL_DIM, + radiation_output_tensor, axis=self.CHANNEL_DIM ) main_input_data = input_norm.copy() if self._config.detach_radiation: @@ -381,11 +374,10 @@ def network_calls(input_norm: TensorDict) -> TensorDict: main_input_data = {**input_norm, **radiation_output_norm} input_tensor = self.in_packer.pack(main_input_data, axis=self.CHANNEL_DIM) output_tensor = self.module.wrap_module(wrapper)( - fold_ensemble_tensor(input_tensor, n_ensemble), labels=args.labels + input_tensor, labels=args.labels ) main_output_norm = self.out_packer.unpack( - unfold_ensemble_tensor(output_tensor, n_ensemble), - axis=self.CHANNEL_DIM, + output_tensor, axis=self.CHANNEL_DIM ) return { **radiation_output_norm, diff --git a/fme/core/step/secondary_module.py b/fme/core/step/secondary_module.py index ccb9d9945..ff389109b 100644 --- a/fme/core/step/secondary_module.py +++ b/fme/core/step/secondary_module.py @@ -27,11 +27,6 @@ from fme.core.step.single_module import step_with_adjustments from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState -from fme.core.tensors import ( - fold_ensemble_tensor, - unfold_ensemble_dim, - unfold_ensemble_tensor, -) from fme.core.typing_ import TensorDict, TensorMapping @@ -395,26 +390,17 @@ def step( ) -> tuple[TensorDict, StepperState | None]: def network_call(input_norm: TensorDict) -> TensorDict: input_tensor = self.in_packer.pack(input_norm, axis=self.CHANNEL_DIM) - # The modules expect a single folded [batch*ensemble, channel, - # *spatial] sample dimension; fold the explicit ensemble dim in and - # unfold each output back to [batch, ensemble, ...]. - n_ensemble = input_tensor.shape[1] - folded_input = fold_ensemble_tensor(input_tensor, n_ensemble) - folded_output = self.module.wrap_module(wrapper)( - folded_input, + output_tensor = self.module.wrap_module(wrapper)( + input_tensor, labels=args.labels, ) - output_dict = self.out_packer.unpack( - unfold_ensemble_tensor(folded_output, n_ensemble), - axis=self.CHANNEL_DIM, - ) + output_dict = self.out_packer.unpack(output_tensor, axis=self.CHANNEL_DIM) secondary_tensor = self.secondary_module.wrap_module(wrapper)( - folded_input, + input_tensor, labels=args.labels, ) secondary_dict = self.secondary_out_packer.unpack( - unfold_ensemble_tensor(secondary_tensor, n_ensemble), - axis=self.CHANNEL_DIM, + secondary_tensor, axis=self.CHANNEL_DIM ) for name in self._config.secondary_out_names: output_dict[name] = secondary_dict[name] @@ -424,9 +410,9 @@ def network_call(input_norm: TensorDict) -> TensorDict: else: output_dict[name] = input_norm[name] + secondary_dict[name] secondary_output_dict = self.secondary_decoder.wrap_module(wrapper)( - folded_output.detach() # detach avoids changing base outputs + output_tensor.detach() # detach avoids changing base outputs ) - output_dict.update(unfold_ensemble_dim(secondary_output_dict, n_ensemble)) + output_dict.update(secondary_output_dict) return output_dict return step_with_adjustments( diff --git a/fme/core/step/single_module.py b/fme/core/step/single_module.py index 045a8fd80..1344d0269 100644 --- a/fme/core/step/single_module.py +++ b/fme/core/step/single_module.py @@ -36,12 +36,7 @@ ) from fme.core.step.step import StepABC, StepConfigABC, StepSelector from fme.core.stepper_state import StepperState -from fme.core.tensors import ( - fold_ensemble_tensor, - fold_sized_ensemble_dim, - unfold_ensemble_dim, - unfold_ensemble_tensor, -) +from fme.core.tensors import fold_sized_ensemble_dim, unfold_ensemble_dim from fme.core.typing_ import EnsembleTensorDict, TensorDict, TensorMapping DEFAULT_TIMESTEP = datetime.timedelta(hours=6) @@ -402,23 +397,15 @@ def network_call(input_norm: TensorDict) -> TensorDict: input_tensor = torch.cat( [input_tensor, mask_tensor], dim=self.CHANNEL_DIM ) - # The module expects a single folded [batch*ensemble, channel, - # *spatial] sample dimension; fold the explicit ensemble dim in and - # unfold the outputs back to [batch, ensemble, ...]. Labels stay - # folded ([batch*ensemble, ...]) and so already match the module. - n_ensemble = input_tensor.shape[1] - folded_output = self.module.wrap_module(wrapper)( - fold_ensemble_tensor(input_tensor, n_ensemble), + output_tensor = self.module.wrap_module(wrapper)( + input_tensor, labels=args.labels, ) - output_dict = self.out_packer.unpack( - unfold_ensemble_tensor(folded_output, n_ensemble), - axis=self.CHANNEL_DIM, - ) + output_dict = self.out_packer.unpack(output_tensor, axis=self.CHANNEL_DIM) secondary_output_dict = self.secondary_decoder.wrap_module(wrapper)( - folded_output.detach() # detach avoids changing base outputs + output_tensor.detach() # detach avoids changing base outputs ) - output_dict.update(unfold_ensemble_dim(secondary_output_dict, n_ensemble)) + output_dict.update(secondary_output_dict) return output_dict return step_with_adjustments( @@ -504,13 +491,8 @@ def _apply_input_mask(input_norm: TensorDict, data_mask: TensorMapping) -> Tenso result = dict(input_norm) for name, mask in data_mask.items(): if name in result: - # mask shape: [*leading], data shape: [*leading, *spatial], where - # leading is [batch] or [batch, ensemble]. Append singleton spatial - # dims so the mask broadcasts over the spatial dims regardless of how - # many leading (sample/ensemble) dims there are. - broadcast_mask = mask.view( - *mask.shape, *([1] * (result[name].ndim - mask.ndim)) - ) + # mask shape: [batch], data shape: [batch, ...spatial...] + broadcast_mask = mask.view(mask.shape[0], *([1] * (result[name].ndim - 1))) result[name] = torch.where(broadcast_mask, result[name], 0.0) return result @@ -529,14 +511,10 @@ def _build_channel_mask_dict( Args: in_names: Input variable names. - data_mask: Per-variable boolean masks of shape ``[*leading]`` (i.e. - ``[batch]`` or ``[batch, ensemble]``), or None. + data_mask: Per-variable boolean masks of shape ``[batch]``, or None. packed_input: The packed input tensor, used to infer shape and device. - Its leading (non-channel, non-spatial) dims define the mask shape. """ - # leading dims = everything except the channel (-3) and spatial (-2, -1) - # dims, i.e. [batch] or [batch, ensemble]. - leading = packed_input.shape[:-3] + batch = packed_input.shape[0] spatial = packed_input.shape[-2:] device = packed_input.device result: TensorDict = {} @@ -547,18 +525,16 @@ def _build_channel_mask_dict( source = extra_channel_source_field(name) lookup_name = source if source is not None else name if data_mask is not None and lookup_name in data_mask: - mask = data_mask[lookup_name].to(device=device, dtype=torch.float) - result[name] = mask.view(*leading, 1, 1).expand(*leading, *spatial) + mask_1d = data_mask[lookup_name].to(device=device, dtype=torch.float) + result[name] = mask_1d.view(batch, 1, 1).expand(batch, *spatial) else: - result[name] = torch.ones(*leading, *spatial, device=device) + result[name] = torch.ones(batch, *spatial, device=device) return result def _ensemble_size(data: TensorMapping) -> int: - """Return the size of the explicit ensemble dimension (dim 1) of a - ``[batch, ensemble, *spatial]`` tensor mapping. - - Returns 1 for an empty mapping (no ensemble structure to read). + """Size of the explicit ensemble dimension (dim 1) of a + ``[batch, ensemble, *spatial]`` tensor mapping; 1 for an empty mapping. """ for v in data.values(): return v.shape[1] @@ -582,24 +558,18 @@ def step_with_adjustments( """ Step the model forward one timestep given input data. - Tensors carry an explicit ``[n_batch, n_ensemble, *spatial]`` leading - dimension pair. The per-sample adjustments here (normalization, global mean - removal, corrector, ocean) operate transparently on that layout; only the - network module call folds the ensemble into the batch dimension (see the - ``network_calls`` closures), since the modules expect a single sample - dimension. - Args: input: Mapping from variable name to tensor of shape - [n_batch, n_ensemble, *spatial] containing denormalized data from - the initial timestep. In practice this contains the ML inputs. + [n_batch, n_ensemble, n_lat, n_lon] containing denormalized data + from the initial timestep. In practice this contains the ML inputs. + The ensemble dimension is folded into the batch for the per-sample + transforms and the network call, and the output is unfolded back. next_step_input_data: Mapping from variable name to tensor of shape - [n_batch, n_ensemble, *spatial] containing denormalized data from + [n_batch, n_ensemble, n_lat, n_lon] containing denormalized data from the output timestep. In practice this contains the necessary data at the output timestep for the ocean model and corrector. network_calls: Callable[[TensorMapping], TensorDict] that takes a - normalized input and returns a normalized output, both with an - explicit ensemble dimension. + normalized input and returns a normalized output. normalizer: The normalizer to use. corrector: The corrector to use at the end of each step. ocean: The ocean model to use. @@ -626,38 +596,25 @@ def step_with_adjustments( """ if prescribed_prognostic_names is None: prescribed_prognostic_names = [] + # Fold the explicit ensemble dimension into the batch so the per-sample + # transforms and the network operate on a single sample dimension (each + # ensemble member is an independent sample); the output is unfolded back at + # the end. data_mask and stepper_state are already in the folded layout. n_ensemble = _ensemble_size(input) + input = fold_sized_ensemble_dim(EnsembleTensorDict(dict(input)), n_ensemble) + next_step_input_data = fold_sized_ensemble_dim( + EnsembleTensorDict(dict(next_step_input_data)), n_ensemble + ) gmr_state: GlobalMeanRemovalState | None = None if global_mean_removal is not None: - # Global mean removal reduces every dimension after the leading sample - # dimension, so it must see a single folded sample dimension rather than - # a [batch, ensemble] pair (otherwise it would average across ensemble - # members and mis-shape the offsets). Each ensemble member is an - # independent sample for mean removal, so fold the pair into one - # dimension, transform, and unfold back to the [batch, ensemble] layout. - # This keeps the transform byte-identical to the pre-ensemble code path - # and agnostic to the spatial rank. - folded_input = fold_sized_ensemble_dim( - EnsembleTensorDict(dict(input)), n_ensemble - ) - folded_mask = ( - fold_sized_ensemble_dim(EnsembleTensorDict(dict(data_mask)), n_ensemble) - if data_mask is not None - else None - ) network_input, gmr_state = global_mean_removal.forward_transform( - folded_input, folded_mask - ) - input_norm = normalizer.normalize( - unfold_ensemble_dim(network_input, n_ensemble) + input, data_mask ) + input_norm = normalizer.normalize(network_input) # Synthetic GMR channels are produced in normalized space; merge # them in after normalization so the network sees a single uniform # input dict. - extras = unfold_ensemble_dim( - global_mean_removal.extras_normalized(gmr_state), n_ensemble - ) - input_norm = {**input_norm, **extras} + input_norm = {**input_norm, **global_mean_removal.extras_normalized(gmr_state)} else: input_norm = normalizer.normalize(input) output_norm = network_calls(input_norm) @@ -666,13 +623,7 @@ def step_with_adjustments( output = normalizer.denormalize(output_norm) if global_mean_removal is not None: assert gmr_state is not None - output = unfold_ensemble_dim( - global_mean_removal.inverse_transform( - fold_sized_ensemble_dim(EnsembleTensorDict(dict(output)), n_ensemble), - gmr_state, - ), - n_ensemble, - ) + output = global_mean_removal.inverse_transform(output, gmr_state) if corrector is not None: corrector_state: CorrectorState | None = ( stepper_state.corrector_state if stepper_state is not None else None @@ -691,4 +642,4 @@ def step_with_adjustments( raise ValueError( f"prescribed_prognostic_name '{name}' not in next_step_input_data" ) - return output, stepper_state + return unfold_ensemble_dim(output, n_ensemble), stepper_state diff --git a/fme/core/step/test_step.py b/fme/core/step/test_step.py index 0063a59e5..89ec081e6 100644 --- a/fme/core/step/test_step.py +++ b/fme/core/step/test_step.py @@ -1065,7 +1065,7 @@ def test_step_with_data_mask(): ) data_mask = { "forcing_shared": torch.tensor( - [[True], [True], [False], [False]], device=fme.get_device() + [True, True, False, False], device=fme.get_device() ), } output_no_mask, _ = step.step( @@ -1177,7 +1177,7 @@ def test_step_with_include_channel_mask_inputs(): ) data_mask = { "forcing_shared": torch.tensor( - [[True], [True], [False], [False]], device=fme.get_device() + [True, True, False, False], device=fme.get_device() ), } output_no_mask, _ = step.step( @@ -1241,7 +1241,7 @@ def test_step_with_include_channel_mask_inputs_no_data_mask(): ), ) all_unmasked = { - name: torch.ones(n_samples, 1, dtype=torch.bool, device=fme.get_device()) + name: torch.ones(n_samples, dtype=torch.bool, device=fme.get_device()) for name in step.input_names } output_all_unmasked, _ = step.step( @@ -1515,7 +1515,7 @@ def test_step_shared_global_mean_removal_raises_on_masked_reference(): step.next_step_input_names, DEFAULT_IMG_SHAPE, n_samples ) data_mask = { - "surface_temperature": torch.tensor([[True], [False]], device=fme.get_device()), + "surface_temperature": torch.tensor([True, False], device=fme.get_device()), } with pytest.raises(ValueError, match="masked"): step.step( diff --git a/fme/core/stepper_state.py b/fme/core/stepper_state.py index 2787b461d..25d820303 100644 --- a/fme/core/stepper_state.py +++ b/fme/core/stepper_state.py @@ -56,32 +56,6 @@ def broadcast_ensemble(self, n_ensemble: int) -> "StepperState": ), ) - def unfold_ensemble(self, n_ensemble: int) -> "StepperState": - """Unfold a folded ``[batch * ensemble, ...]`` state into an explicit - ``[batch, ensemble, ...]`` leading pair. Inverse of - :meth:`fold_ensemble`. - """ - return StepperState( - corrector_state=( - None - if self.corrector_state is None - else self.corrector_state.unfold_ensemble(n_ensemble) - ), - ) - - def fold_ensemble(self, n_ensemble: int) -> "StepperState": - """Fold an explicit ``[batch, ensemble, ...]`` state back into a folded - ``[batch * ensemble, ...]`` sample dimension. Inverse of - :meth:`unfold_ensemble`. - """ - return StepperState( - corrector_state=( - None - if self.corrector_state is None - else self.corrector_state.fold_ensemble(n_ensemble) - ), - ) - def sample_dim_size(self) -> int | None: """Return the leading (sample) dim of any non-None sub-state, or None.""" if self.corrector_state is not None: diff --git a/fme/core/tensors.py b/fme/core/tensors.py index b2e881c2e..f7613307e 100644 --- a/fme/core/tensors.py +++ b/fme/core/tensors.py @@ -48,26 +48,6 @@ def add_ensemble_dim(d: TensorMapping, repeats: int = 1) -> EnsembleTensorDict: ) -def fold_ensemble_tensor(t: torch.Tensor, n_ensemble: int) -> torch.Tensor: - """Fold a leading ``[batch, ensemble]`` dimension pair of a single tensor - into one ``[batch * ensemble]`` sample dimension. - - The inverse of :func:`unfold_ensemble_tensor`. Used to hand a - ``[batch, ensemble, channel, *spatial]`` tensor to an ``nn.Module`` that - expects a folded ``[sample, channel, *spatial]`` batch. - """ - return t.reshape(t.shape[0] * n_ensemble, *t.shape[2:]) - - -def unfold_ensemble_tensor(t: torch.Tensor, n_ensemble: int) -> torch.Tensor: - """Unfold the leading ``[batch * ensemble]`` sample dimension of a single - tensor into an explicit ``[batch, ensemble]`` pair. - - The inverse of :func:`fold_ensemble_tensor`. - """ - return t.reshape(t.shape[0] // n_ensemble, n_ensemble, *t.shape[1:]) - - def fold_sized_ensemble_dim(d: EnsembleTensorDict, n_ensemble: int) -> TensorDict: """ Take a tensor dict with an explicit ensemble dimension and fold it into a diff --git a/fme/core/test_tensors.py b/fme/core/test_tensors.py index bfe3d58ed..7dc079437 100644 --- a/fme/core/test_tensors.py +++ b/fme/core/test_tensors.py @@ -3,11 +3,9 @@ from fme.core.tensors import ( assert_dict_allclose, - fold_ensemble_tensor, fold_sized_ensemble_dim, repeat_interleave_batch_dim, unfold_ensemble_dim, - unfold_ensemble_tensor, ) from fme.core.typing_ import EnsembleTensorDict @@ -107,24 +105,3 @@ def test_unfold_ensemble_dim_increases_dimensionality(): assert set(unfolded.keys()) == {"a"} assert unfolded["a"].shape == (2, 3, 4, 8) torch.testing.assert_close(unfolded["a"], a.reshape(2, 3, 4, 8)) - - -@pytest.mark.parametrize("n_ensemble", [1, 3]) -def test_fold_unfold_ensemble_tensor_round_trip(n_ensemble: int): - # [batch, ensemble, channel, lat, lon] -> [batch*ensemble, ...] -> back. - t = torch.randn(2, n_ensemble, 4, 5, 6) - folded = fold_ensemble_tensor(t, n_ensemble) - assert folded.shape == (2 * n_ensemble, 4, 5, 6) - torch.testing.assert_close(unfold_ensemble_tensor(folded, n_ensemble), t) - - -def test_fold_ensemble_tensor_block_order_matches_unfold_ensemble_dim(): - # fold_ensemble_tensor must use the same block ordering as the dict-level - # unfold/fold helpers so a single tensor and a tensor dict stay aligned. - n_batch, n_ensemble = 3, 2 - t = torch.randn(n_batch, n_ensemble, 4, 8) - folded = fold_ensemble_tensor(t, n_ensemble) - # member e of base sample b lands at row b * n_ensemble + e - for b in range(n_batch): - for e in range(n_ensemble): - torch.testing.assert_close(folded[b * n_ensemble + e], t[b, e])