From b0dbf924be84a6cdc987375b497421bb175b5611 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Fri, 3 Oct 2025 06:35:43 -0700 Subject: [PATCH 01/26] Temporal interpolation training recipe --- .../weather/temporal_interpolation/README.md | 5 + .../config/train_interp.yaml | 56 +++ .../config/train_interp_lite.yaml | 60 ++++ .../datapipe/climate_interp.py | 159 +++++++++ .../weather/temporal_interpolation/train.py | 256 ++++++++++++++ .../utils/distribute.py | 43 +++ .../temporal_interpolation/utils/loss.py | 57 ++++ .../temporal_interpolation/utils/trainer.py | 321 ++++++++++++++++++ 8 files changed, 957 insertions(+) create mode 100644 examples/weather/temporal_interpolation/README.md create mode 100644 examples/weather/temporal_interpolation/config/train_interp.yaml create mode 100644 examples/weather/temporal_interpolation/config/train_interp_lite.yaml create mode 100644 examples/weather/temporal_interpolation/datapipe/climate_interp.py create mode 100644 examples/weather/temporal_interpolation/train.py create mode 100644 examples/weather/temporal_interpolation/utils/distribute.py create mode 100644 examples/weather/temporal_interpolation/utils/loss.py create mode 100644 examples/weather/temporal_interpolation/utils/trainer.py diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md new file mode 100644 index 0000000000..c93afd773c --- /dev/null +++ b/examples/weather/temporal_interpolation/README.md @@ -0,0 +1,5 @@ +# Earth-2 Time Interpolation Model + +## Getting started + +README is TODO diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml new file mode 100644 index 0000000000..e30a46a90c --- /dev/null +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -0,0 +1,56 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +model: + model_type: "modafno" # should always be "modafno" + model_name: "modafno-cplxscale-smallpatch" # name for the model + inp_shape: [720, 1440] # should be [720, 1440], must be divisible by patch_size + in_channels: 155 # number of input channels to the model, use 155 for 73-var ERA5 + out_channels: 73 # number of output channels from the model, use 73 for 73-var ERA5 + patch_size: [2,2] # size of AFNO patches + embed_dim: 512 # embedding dimension + mlp_ratio: 2.0 # multiplier for MLP hidden layer size + num_blocks: 12 # number of AFNO blocks + + scale_shift_mode: complex # "real" or "complex" + embed_model: + dim: 64 # width of time embedding net + depth: 1 # depth of time embedding net + method: sinusoidal # embedding type used in time embedding net + +datapipe: + data_dir: "/data/era5-73varQ-hourly" # directory where data files are located + metadata_path: "/data/era5-73varQ-hourly/metadata/data.json" # directory to metadata json file + geopotential_filename: "/data/era5-wind_gust/invariants/orography.nc" # location of orography file + lsm_filename: "/data/era5-wind_gust/invariants/land_sea_mask.nc" # location of lsm file + use_latlon: True # when True, return latitude and longitude from datapipe + num_samples_per_year_train: 8748 # number of training samples per year (8748 == 365 * 24 - 12) + num_samples_per_year_valid: 64 # number of validation samples per year + batch_size_train: 1 # batch size per GPU + +training: + max_epoch: 120 # number of data "epochs" + samples_per_epoch: 50000 # number of samples per "epoch" + checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved + optimizer_params: + lr: 5e-4 # learning rate + betas: [0.9, 0.95] # beta parameters for Adam + +logging: + mlflow: + use_mlflow: True # when True, produce logs with mlflow + experiment_name: "Forecast interpolation model" # experiment name, can be set freely + user_name: "PhysicsNeMo User" # user name, can be set freely diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml new file mode 100644 index 0000000000..f1f80e55aa --- /dev/null +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -0,0 +1,60 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +# Config file for testing training. Does a very short run with a small model. +# Can be used to test that training runs without errors, not expected to +# produce useful checkpoints. + +model: + model_type: "modafno" # should always be "modafno" + model_name: "modafno-test" # name for the model + inp_shape: [720, 1440] # should be [720, 1440], must be divisible by patch_size + in_channels: 155 # number of input channels to the model, use 155 for 73-var ERA5 + out_channels: 73 # number of output channels from the model, use 73 for 73-var ERA5 + patch_size: [8,8] # size of AFNO patches + embed_dim: 64 # embedding dimension + mlp_ratio: 2.0 # multiplier for MLP hidden layer size + num_blocks: 2 # number of AFNO blocks + + scale_shift_mode: complex # "real" or "complex" + embed_model: + dim: 64 # width of time embedding net + depth: 1 # depth of time embedding net + method: sinusoidal # embedding type used in time embedding net + +datapipe: + data_dir: "/data/era5-73varQ-hourly" # directory where data files are located + metadata_path: "/data/era5-73varQ-hourly/metadata/data.json" # directory to metadata json file + geopotential_filename: "/data/era5-wind_gust/invariants/orography.nc" # location of orography file + lsm_filename: "/data/era5-wind_gust/invariants/land_sea_mask.nc" # location of lsm file + use_latlon: True # when True, return latitude and longitude from datapipe + num_samples_per_year_train: 8748 # number of training samples per year (8748 == 365 * 24 - 12) + num_samples_per_year_valid: 64 # number of validation samples per year + batch_size_train: 1 # batch size per GPU + +training: + max_epoch: 4 # number of data "epochs" + samples_per_epoch: 50 # number of samples per "epoch" + checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved + optimizer_params: + lr: 5e-4 # learning rate + betas: [0.9, 0.95] # beta parameters for Adam + +logging: + mlflow: + use_mlflow: True # when True, produce logs with mlflow + experiment_name: "Forecast interpolation model" # experiment name, can be set freely + user_name: "PhysicsNeMo User" # user name, can be set freely diff --git a/examples/weather/temporal_interpolation/datapipe/climate_interp.py b/examples/weather/temporal_interpolation/datapipe/climate_interp.py new file mode 100644 index 0000000000..a2b6c5f65f --- /dev/null +++ b/examples/weather/temporal_interpolation/datapipe/climate_interp.py @@ -0,0 +1,159 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from datetime import datetime, timedelta +import time + +import numpy as np +import nvidia.dali as dali +from torch import Tensor + +from physicsnemo.datapipes.climate.climate import ( + ClimateDatapipe, + ClimateDaliExternalSource, + ClimateHDF5DaliExternalSource, +) + + +class InterpDaliExternalSource(ClimateDaliExternalSource): + """Data source specialized for interpolation training.""" + + def __init__(self, *args, all_steps: bool = False, **kwargs): + super().__init__(*args, **kwargs) + self.all_steps = all_steps + + def __call__( + self, sample_info: dali.types.SampleInfo + ) -> tuple[np.ndarray, np.ndarray]: + """Get data from source. + + Args: + sample_info: Information about the sample to retrieve. + Returns: + Sequence of training data along with the accompanying timestamps. + """ + + if sample_info.iteration >= self.num_batches: + raise StopIteration() + + # Shuffle before the next epoch starts + if self.shuffle and sample_info.epoch_idx != self.last_epoch: + # All workers use the same rng seed so the resulting + # indices are the same across workers + # np.random.default_rng(seed=sample_info.epoch_idx).shuffle(self.indices) + print("Shuffling indices") + np.random.shuffle(self.indices) + self.last_epoch = sample_info.epoch_idx + + # Get local indices from global index + # TODO: This is very hacky, but it works for now + idx = self.indices[sample_info.idx_in_epoch] + year_idx = idx // self.num_samples_per_year + in_idx = idx % self.num_samples_per_year + + # quasi-unique deterministic seed for each sample + seed = ( + (sample_info.epoch_idx << 32) + + (sample_info.idx_in_epoch << 16) + + sample_info.idx_in_batch + ) + + interp_idx = np.random.default_rng(seed=seed).integers(self.stride + 1) + if self.all_steps: + steps = np.arange(self.stride + 1) + else: + steps = np.array([0, self.stride, interp_idx]) + state_seq = self._load_sequence(year_idx, in_idx, steps) + + # Load sequence of timestamps + year = self.start_year + year_idx + start_time = datetime(year, 1, 1) + timedelta(hours=int(in_idx) * self.dt) + timestamps = np.array( + [(start_time + timedelta(hours=i * self.dt)).timestamp() for i in steps] + ) + return state_seq, timestamps + + def __len__(self) -> int: + return len(self.indices) // self.stride + + +class InterpHDF5DaliExternalSource( + ClimateHDF5DaliExternalSource, InterpDaliExternalSource +): + """DALI source for reading HDF5 formatted climate data files, + specialized for interpolation training. + """ + + def __init__(self, *args, **kwargs): + super().__init__(*args, **kwargs) + + def _get_read_buffer(self, steps: list[int], data) -> np.ndarray: + """Get memory buffer for reading data.""" + shape = (len(steps), len(self.chans)) + data.shape[-2:] + return np.empty(shape, dtype=np.float32) + + def _load_sequence( + self, year_idx: int, idx: int, steps: np.ndarray, num_retries: int = 10 + ) -> np.ndarray: + """Load sequence of data for interpolation training. + + Args: + year_idx: The index of the yearly data file. + idx: The starting index of the data sequence in the yearly file. + steps: A, array of index offsets relative to idx (e.g. [0, 6, 2]) + num_retries: number of times to retry in case of IO failure + + Returns: + Data of shape (len(steps), num_channels, height, width) + """ + + # the data is returned in a (time, channels, height, width) shape + data = self._get_data_file(year_idx)["fields"] + + seq = self._get_read_buffer(steps, data) + steps = list(steps) # so we can use .index() + for step_idx, s in enumerate(steps): + first_step_idx = steps.index(s) + if first_step_idx != step_idx: + # when two steps are the same, copy previous to avoid redundant data I/O + seq[step_idx] = seq[first_step_idx] + else: + for retry_num in range(num_retries + 1): + try: + # equivalent to: seq[step_idx] = data[idx + s] + data.read_direct(seq, np.s_[idx + s], np.s_[step_idx]) + break + except BlockingIOError: + # Some systems have had occasional IO issues that can often be + # resolved by retrying + if retry_num == num_retries: + raise + else: + print( + f"IO error reading year_idx={year_idx} idx={idx}, retrying in 5 sec..." + ) + time.sleep(5) + return seq + + +class InterpClimateDatapipe(ClimateDatapipe): + """Extends ClimateDatapipe to use interpolation source.""" + + def _source_cls_from_type(self, source_type: str) -> type[InterpDaliExternalSource]: + """Get the external source class based on a string descriptor.""" + return { + "hdf5": InterpHDF5DaliExternalSource, + }[source_type] diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py new file mode 100644 index 0000000000..7900746f89 --- /dev/null +++ b/examples/weather/temporal_interpolation/train.py @@ -0,0 +1,256 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os + +import hydra +from omegaconf import OmegaConf +import torch + +from physicsnemo import Module +from physicsnemo.datapipes.climate.climate import ClimateDataSourceSpec +from physicsnemo.datapipes.climate.utils import invariant +from physicsnemo.distributed import DistributedManager +from physicsnemo.launch.logging import LaunchLogger +from physicsnemo.launch.logging.mlflow import initialize_mlflow +from physicsnemo.models.afno import ModAFNO + +from datapipe.climate_interp import InterpClimateDatapipe +from utils import distribute, loss +from utils.trainer import Trainer + + +def setup_datapipes( + *, + data_dir: str, + dist_manager: DistributedManager, + metadata_path: str, + geopotential_filename: str | None = None, + lsm_filename: str | None = None, + use_latlon: bool = True, + num_samples_per_year_train: int = 365 * 24 - 6, + num_samples_per_year_valid: int = 4, + batch_size_train: int = 4, + batch_size_valid: int | None = None, + num_workers: int = 4, + valid_subdir: str = "test", + valid_start_year: int = 2017, + valid_shuffle: bool = False, +) -> tuple[InterpClimateDatapipe, InterpClimateDatapipe]: + """Setup datapipes for training. + + The arguments passed to this function can be modified in the 'datapipe' section + of the config. + + Args: + data_dir: path to data directory + dist_manager: an initialized DistributedManager instance + geopotential_filename: path to NetCDF file with global geopotential on the 0.25 deg grid + geopotential_filename: path to NetCDF file with global land-sea mask on the 0.25 deg grid + use_latlon: if True, will return latitude and longitude from the datapipe + num_samples_per_year_train: number of training samples per year + num_samples_per_year_valid: number of validation samples per year + batch_size_train: batch size per GPU for training + batch_size_valid: batch size per GPU for validation, when None equal to batch_size_train + num_workers: number of datapipe workers per training process + valid_subdir: subdirectory in data_dir where validation data is found + valid_shuffle: when True, shuffle order of validation set; recommend setting this to False for consistent validation results + Returns: + Tuple of training datapipe and validation datapipe. + """ + if batch_size_valid is None: + batch_size_valid = batch_size_train + + train_dir = os.path.join(data_dir, "train") + valid_dir = os.path.join(data_dir, valid_subdir) + mean_file = os.path.join(data_dir, "stats/global_means.npy") + std_file = os.path.join(data_dir, "stats/global_stds.npy") + + spec_kwargs = dict( + stats_files={"mean": mean_file, "std": std_file}, + use_cos_zenith=True, + name="atmos", + metadata_path=metadata_path, + stride=6, + ) + + spec_train = ClimateDataSourceSpec(data_dir=train_dir, **spec_kwargs) + + spec_valid = ClimateDataSourceSpec(data_dir=valid_dir, **spec_kwargs) + + invariants = {} + if use_latlon: + invariants["latlon"] = invariant.LatLon() + if geopotential_filename is not None: + invariants["geopotential"] = invariant.FileInvariant(geopotential_filename, "Z") + if lsm_filename is not None: + invariants["land_sea_mask"] = invariant.FileInvariant(lsm_filename, "LSM") + + pipe_kwargs = dict( + invariants=invariants, + crop_window=((0, 720), (0, 1440)), + num_workers=num_workers, + device=dist_manager.device, + dt=1.0, + ) + + pipe_train = InterpClimateDatapipe( + [spec_train], + batch_size=batch_size_train, + num_samples_per_year=num_samples_per_year_train, + process_rank=dist_manager.rank, + world_size=dist_manager.world_size, + **pipe_kwargs, + ) + + pipe_valid = InterpClimateDatapipe( + [spec_valid], + batch_size=batch_size_valid, + num_samples_per_year=num_samples_per_year_valid, + shuffle=valid_shuffle, + start_year=valid_start_year, + **pipe_kwargs, + ) + + return (pipe_train, pipe_valid) + + +# default parameters if not overridden by config +default_model_params = { + "modafno": { + "inp_shape": (720, 1440), + "in_channels": 155, + "out_channels": 73, + "patch_size": (8, 8), + "embed_dim": 768, + "depth": 12, + "num_blocks": 8, + } +} + + +def setup_model(model_cfg: dict | None = None) -> Module: + """Setup interpolation model. + + Args: + model_cfg: model configuration dict + Returns: + Model object + """ + if model_cfg is None: + model_cfg = {} + model_type = model_cfg.pop("model_type", "modafno") + if model_type != "modafno": + raise ValueError( + "Model types other than 'modafno' are not currently supported." + ) + model_name = model_cfg.pop("model_name") + model_kwargs = default_model_params[model_type].copy() + model_kwargs.update(model_cfg) + if model_type == "modafno": + model = ModAFNO(**model_kwargs) + + if model_name is not None: + model.meta.name = model_name + + return model + + +@torch.no_grad() +def input_output_from_batch_data( + batch: dict[str, torch.Tensor], time_scale: float = 6 * 3600.0 +) -> tuple[[tuple[torch.Tensor, torch.Tensor], torch.Tensor]]: + """Function to convert the datapipe output dict to model input and output batches. + + Args: + batch: The data dict returned by the datapipe. + time_scale: Number of seconds between the interpolation endpoints (default 6 hours) + Returns: + Nested tuple in the form ((input, time), output) + """ + batch = batch[0] + # concatenate all input variables to a single tensor + atmos_vars = batch["state_seq-atmos"] + cos_zenith = batch["cos_zenith-atmos"].squeeze(dim=2) + + sincos_latlon = batch["latlon"] + geop = batch["geopotential"] + lsm = batch["land_sea_mask"] + + atmos_vars_in = torch.cat( + [atmos_vars[:, 0], atmos_vars[:, 1], cos_zenith, sincos_latlon, geop, lsm], + dim=1, + ) + + atmos_vars_out = atmos_vars[:, 2] + + time = batch["timestamps-atmos"] + # normalize time coordinate + time = (time[:, -1:] - time[:, :1]).to(dtype=torch.float32) / time_scale + + return ((atmos_vars_in, time), atmos_vars_out) + + +def setup_trainer(**cfg: dict) -> Trainer: + """Setup training environment. + + Args: + cfg: The configuration dict passed from hydra. + Returns: + The Trainer object for training the interpolation model. + """ + + # setup model + model = setup_model(model_cfg=cfg["model"]) + (model, dist_manager) = distribute.distribute_model(model) + + # setup datapipes + (train_datapipe, valid_datapipe) = setup_datapipes( + **cfg["datapipe"], + dist_manager=dist_manager, + ) + + mlflow_cfg = cfg.get("logging", {}).get("mlflow", {}) + if mlflow_cfg.pop("use_mlflow", False): + initialize_mlflow(**mlflow_cfg) + LaunchLogger.initialize(use_mlflow=True) + + # setup training loop + loss_func = loss.GeometricL2Loss(num_lats_cropped=cfg["model"]["inp_shape"][0]).to( + device=dist_manager.device + ) + trainer = Trainer( + model, + dist_manager=dist_manager, + loss=loss_func, + train_datapipe=train_datapipe, + valid_datapipe=valid_datapipe, + input_output_from_batch_data=input_output_from_batch_data, + **cfg["training"], + ) + + return trainer + + +@hydra.main(version_base=None, config_path="config") +def main(cfg): + """Main function.""" + trainer = setup_trainer(**OmegaConf.to_container(cfg)) + trainer.fit() + + +if __name__ == "__main__": + main() diff --git a/examples/weather/temporal_interpolation/utils/distribute.py b/examples/weather/temporal_interpolation/utils/distribute.py new file mode 100644 index 0000000000..28f4f6d0dd --- /dev/null +++ b/examples/weather/temporal_interpolation/utils/distribute.py @@ -0,0 +1,43 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from physicsnemo.distributed import DistributedManager +import torch + + +def distribute_model( + model: torch.nn.Module, +) -> tuple[torch.nn.Module, DistributedManager]: + """Initialize DistributedManager and distribute model to multiple processes with DDP.""" + if not DistributedManager.is_initialized(): + DistributedManager.initialize() + + dist = DistributedManager() + model = model.to(dist.device) + + if dist.world_size > 1: + ddps = torch.cuda.Stream() + with torch.cuda.stream(ddps): + model = torch.nn.parallel.DistributedDataParallel( + model, + device_ids=[dist.local_rank], + output_device=dist.device, + broadcast_buffers=dist.broadcast_buffers, + find_unused_parameters=dist.find_unused_parameters, + ) + torch.cuda.current_stream().wait_stream(ddps) + + return (model, dist) diff --git a/examples/weather/temporal_interpolation/utils/loss.py b/examples/weather/temporal_interpolation/utils/loss.py new file mode 100644 index 0000000000..3223ce8dfc --- /dev/null +++ b/examples/weather/temporal_interpolation/utils/loss.py @@ -0,0 +1,57 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch +from torch import nn + + +class GeometricL2Loss(nn.Module): + """Latitude weighted L2 (MSE) loss. + + Args: + lat_range: range of latitudes to cover + num_lats: number of latitudes in lat_range + num_lats_cropped: use the first num_lats_cropped latitudes + input_dims: number of dimensions in the input tensors passed to `forward` + """ + + def __init__( + self, + lat_range: tuple[float, float] = (-90.0, 90.0), + num_lats: int = 721, + num_lats_cropped: int = 720, + input_dims: int = 4, + ): + super().__init__() + + lats = torch.linspace(lat_range[0], lat_range[1], num_lats) + if lat_range[0] == -90: # special handling for poles + lats[0] = 0.5 * (lats[0] + lats[1]) + if lat_range[1] == 90: + lats[-1] = 0.5 * (lats[-2] + lats[-1]) + lats = torch.deg2rad(lats[:num_lats_cropped]) + weights = torch.cos(lats) + weights = weights / torch.sum(weights) + weights = torch.reshape( + weights, (1,) * (input_dims - 2) + (num_lats_cropped, 1) + ) + self.register_buffer("weights", weights) + + def forward(self, pred: torch.Tensor, true: torch.Tensor) -> torch.Tensor: + """Compute loss.""" + err = torch.square(pred - true) + err = torch.sum(err * self.weights, dim=-2) + return torch.mean(err) diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py new file mode 100644 index 0000000000..c3ee90caac --- /dev/null +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -0,0 +1,321 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from collections.abc import Callable, Sequence +from typing import Any, Literal +import warnings + +from physicsnemo import Module +from physicsnemo.datapipes.climate.climate import ClimateDatapipe +from physicsnemo.distributed.manager import DistributedManager +from physicsnemo.utils import StaticCaptureTraining, StaticCaptureEvaluateNoGrad +from physicsnemo.launch.logging import LaunchLogger, PythonLogger +from physicsnemo.launch.utils import load_checkpoint, save_checkpoint +import torch + +try: + from apex.optimizers import FusedAdam +except ImportError: + warnings.warn("Apex is not installed, defaulting to PyTorch optimizers.") + + +class Trainer: + """Training loop. + + Args: + model: model to train + dist_manager: initialized DistributedManager + loss: loss function + train_datapipe: ClimateDatapipe providing training data + valid_datapipe: ClimateDatapipe providing validation data + samples_per_epoch: number of samples to draw from the datapipe per 'epoch' + input_output_from_batch_data: function that converts datapipe outputs to training + batches, if not provided will try to use outputs as-is + optimizer: optimizer class used for training, when None will setup + apex.optimizers.FusedAdam if available, otherwise PyTorch Adam + optimizer_params: dict of parameters (e.g. learning rate) to pass to optimizer + scheduler: learning rate scheduler class, when None will setup CosineAnnealingLR + scheduler_params: dict of parameters to pass to LR scheduler + max_epoch: the last training epoch + load_epoch: which epoch to load; one of: + - "latest" (to continue from latest checkpoint in checkpoint_dir) + - int (to continue from the specified epoch) + - None (to start from scratch) + checkpoint_dir: the directory where checkpoints are saved + validation_callbacks: optional callables to execute on validation, signature + callback(outvar_true, outvar_pred, epoch=epoch, batch_idx=batch_idx) + """ + + def __init__( + self, + model: Module, + dist_manager: DistributedManager, + loss: torch.nn.Module, + train_datapipe: ClimateDatapipe, + valid_datapipe: ClimateDatapipe, + samples_per_epoch: int, + input_output_from_batch_data: Callable = lambda x: x, + optimizer: type[torch.optim.Optimizer] | None = None, + optimizer_params: dict[str, Any] | None = None, + scheduler: type[torch.optim.lr_scheduler.LRScheduler] | None = None, + scheduler_params: dict[str, Any] | None = None, + max_epoch: int = 1, + load_epoch: int | Literal["latest"] = None, + checkpoint_every: int = 1, + checkpoint_dir: str | None = None, + validation_callbacks: Sequence[Callable] = (), + ): + self.model = model + self.dist_manager = dist_manager + self.loss = loss + self.train_datapipe = train_datapipe + self.valid_datapipe = valid_datapipe + self.max_epoch = max_epoch + self.input_output_from_batch_data = input_output_from_batch_data + self.optimizer = self.setup_optimizer( + model, opt_cls=optimizer, opt_params=optimizer_params + ) + self.lr_scheduler = self.setup_lr_scheduler( + self.optimizer, scheduler_cls=scheduler, scheduler_params=scheduler_params + ) + self.validation_callbacks = validation_callbacks + self.device = self.dist_manager.device + self.logger = PythonLogger() + + self.checkpoint_every = checkpoint_every + self.checkpoint_dir = checkpoint_dir + self.epoch = 1 + if load_epoch is not None: + epoch = None if load_epoch == "latest" else load_epoch + self.load_checkpoint(epoch=epoch) + self.epoch += 1 + + # wrap capture here instead of using decorator so it'll still be wrapped if + # overridden by a subclass + self.train_step_forward = StaticCaptureTraining( + model=self.model, + optim=self.optimizer, + logger=self.logger, + use_graphs=False, # use_graphs=True seems crash prone + )(self.train_step_forward) + + self.eval_step = StaticCaptureEvaluateNoGrad( + model=self.model, logger=self.logger, use_graphs=False + )(self.eval_step) + + self.train_iter = self._train_iter() + self.local_batches_per_epoch = samples_per_epoch // ( + train_datapipe.world_size * train_datapipe.batch_size + ) + + def eval_step(self, invar: tuple) -> torch.Tensor: + """Evaluate model for one step. + + Args: + invar: The inputs to the model, packed into a tuple. + + Returns: + The output of the model. + """ + return self.model(*invar) + + def train_step_forward( + self, invar: tuple, outvar_true: torch.Tensor + ) -> torch.Tensor: + """Training step. + + Args: + invar: model inputs packed into a tuple + outvar_true: correct output value + Returns: + Model loss on the given data. + """ + outvar_pred = self.model(*invar) + return self.loss(outvar_pred, outvar_true) + + def fit(self): + """Main function for training loop.""" + for self.epoch in range(self.epoch, self.max_epoch + 1): + self.train_on_epoch() + + if self.dist_manager.rank == 0: + self.logger.info("Finished training!") + + def _train_iter(self): + """Iterate training items.""" + while True: + yield from self.train_datapipe + + def _iter_n_train_batches(self, n): + """Iterate over n training items.""" + for _ in range(n): + yield next(self.train_iter) + + def train_on_epoch(self): + """Train for one epoch.""" + with LaunchLogger( + "train", + epoch=self.epoch, + num_mini_batch=self.local_batches_per_epoch, + epoch_alert_freq=10, + ) as log: + for batch in self._iter_n_train_batches(self.local_batches_per_epoch): + loss = self.train_step_forward( + *self.input_output_from_batch_data(batch) + ) + log.log_minibatch({"loss": loss.detach()}) + + log.log_epoch({"Learning Rate": self.optimizer.param_groups[0]["lr"]}) + + # Validation + if self.dist_manager.rank == 0: + with LaunchLogger("valid", epoch=self.epoch) as log: + error = self.validate_on_epoch() + log.log_epoch({"Validation error": error}) + + if self.dist_manager.world_size > 1: + torch.distributed.barrier() + + self.lr_scheduler.step() + + checkpoint_epoch = (self.checkpoint_dir is not None) and ( + (self.epoch % self.checkpoint_every == 0) or (self.epoch == self.max_epoch) + ) + if checkpoint_epoch and self.dist_manager.rank == 0: + # Save Modulus Launch checkpoint + self.save_checkpoint() + + @torch.no_grad() + def validate_on_epoch(self) -> torch.Tensor: + """Compute loss and metrics over one validation epoch. + + Returns: + Validation loss as a tensor. + """ + loss_epoch = 0 + num_examples = 0 # Number of validation examples + # Dealing with DDP wrapper + if hasattr(self.model, "module"): + model = self.model.module + else: + model = self.model + + try: + model.eval() + for i, batch in enumerate(self.valid_datapipe): + (invar, outvar_true) = self.input_output_from_batch_data(batch) + invar = tuple(v.detach() for v in invar) + outvar_true = outvar_true.detach() + outvar_pred = self.eval_step(invar) + + loss_epoch += self.loss(outvar_pred, outvar_true) + num_examples += 1 + + for callback in self.validation_callbacks: + callback(outvar_true, outvar_pred, epoch=self.epoch, batch_idx=i) + finally: # restore train state even if exception occurs + model.train() + return loss_epoch / num_examples + + def setup_optimizer( + self, + model: torch.nn.Module, + opt_cls: type[torch.optim.Optimizer] | None = None, + opt_params: dict | None = None, + ) -> torch.optim.Optimizer: + """Setup optimizer. + + Args: + model: model that optimizer is applied to + opt_cls: optimizer class; when None will setup + apex.optimizers.FusedAdam if available, otherwise PyTorch Adam + opt_params: dict of parameters (e.g. learning rate) to pass to optimizer + + Returns: + Initialized optimizer. + """ + + opt_kwargs = {"lr": 0.0005} + if opt_params is not None: + opt_kwargs.update(opt_params) + + if opt_cls is None: + try: + opt_cls = FusedAdam + except NameError: # in case we don't have apex + opt_cls = torch.optim.Adam + + return opt_cls(model.parameters(), **opt_kwargs) + + def setup_lr_scheduler( + self, + optimizer: torch.optim.Optimizer, + scheduler_cls: type[torch.optim.lr_scheduler.LRScheduler] | None = None, + scheduler_params: dict[str, Any] | None = None, + ) -> torch.optim.lr_scheduler.LRScheduler: + """Setup learning rate scheduler. + + Args: + optimizer: optimizer to which the scheduling is applied + scheduler_cls: scheduler class; when None will setup + apex.optimizers.FusedAdam if available, otherwise PyTorch Adam + scheduler_params: dict of parameters to pass to scheduler + + Returns: + Initialized optimizer. + """ + + scheduler_kwargs = {} + if scheduler_cls is None: + scheduler_cls = torch.optim.lr_scheduler.CosineAnnealingLR + scheduler_kwargs["T_max"] = self.max_epoch + if scheduler_params is not None: + scheduler_kwargs.update(scheduler_params) + + return scheduler_cls(optimizer, **scheduler_kwargs) + + def load_checkpoint(self, epoch: int | None = None) -> int: + """Try to load model state from a checkpoint. Do nothing if a checkpoint + is not found in self.checkpoint_dir. + + Args: + epoch: The number of epoch to load. When None, the latest epoch is loaded. + Returns: + The epoch of the loaded checkpoint, or 0 if no checkpoint was found. + """ + if self.checkpoint_dir is None: + raise ValueError("checkpoint_dir must be set in order to load checkpoints.") + self.epoch = load_checkpoint( + self.checkpoint_dir, + models=self.model, + optimizer=self.optimizer, + scheduler=self.lr_scheduler, + device=self.device, + epoch=epoch, + ) + return self.epoch + + def save_checkpoint(self): + """Save current model state as a checkpoint.""" + if self.checkpoint_dir is None: + raise ValueError("checkpoint_dir must be set in order to save checkpoints.") + save_checkpoint( + self.checkpoint_dir, + models=self.model, + optimizer=self.optimizer, + scheduler=self.lr_scheduler, + epoch=self.epoch, + ) From af84a7bec23dba3686df3b867847529c74138daa Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Wed, 8 Oct 2025 07:28:19 -0700 Subject: [PATCH 02/26] Add README --- .../weather/temporal_interpolation/README.md | 98 +- .../weather/temporal_interpolation/data.json | 2258 +++++++++++++++++ .../temporal_interpolation/utils/trainer.py | 2 +- 3 files changed, 2354 insertions(+), 4 deletions(-) create mode 100644 examples/weather/temporal_interpolation/data.json diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index c93afd773c..cf899db466 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -1,5 +1,97 @@ -# Earth-2 Time Interpolation Model +# Earth-2 Temporal Interpolation Model -## Getting started +The temporal interpolation model is used to increase the temporal resolution of AI-based +forecast models. These typically have a native temporal resolution of 6 hours; the +interpolation allows this to be improved to 1 hour. With appropriate training data, even +higher temporal resolutions should be achievable. -README is TODO +This PhysicsNeMo example shows how to train a ModAFNO-based temporal interpolation model +with a custom dataset. For access to the pre-trained model, see the [wrapper in +Earth2Studio](https://nvidia.github.io/earth2studio/modules/generated/models/px/earth2studio.models.px.InterpModAFNO.html#earth2studio.models.px.InterpModAFNO). +A technical description of the model can be found in the paper ["Modulated Adaptive +Fourier Neural Operators for Temporal Interpolation of Weather +Forecasts"](https://arxiv.org/abs/2410.18904). + +## Requirements + +### Environment + +You need to have PhysicsNeMo installed on a GPU system. Training useful models in +practice requires a multi-GPU system; for the original model, 64 H100 GPUs were used. +Using the [PhysicsNeMo +container](https://catalog.ngc.nvidia.com/orgs/nvidia/teams/physicsnemo/containers/physicsnemo) +is recommended. + +This example uses MLFlow to manage data logging. MLFlow is not installed by default; +install it by running + +```bash +pip install mlflow +``` + +### Data + +To train a temporal interpolation model, you need the following: + +* A dataset of yearly HDF5 files at 1-hour resolution. For more details, see the section + ["Data Format and Structure" in the diagnostic model + example](https://github.com/NVIDIA/physicsnemo/blob/5a64525c40eada2248cd3eacee0a6ac4735ae380/examples/weather/diagnostic/README.md#data-format-and-structure). + These datasets can be very large: the dataset used to train the original model, with + 73 variables from 1980 to 2017, is approximately 100 TB in size. The data used to + train the original model are on the ERA5 0.25 degree grid with shape `(721, 1440)` but + other resolutions should work too. +* Statistics files containing the mean and standard deviation of each channel in the + data files. They should be found in the `stats/global_means.npy` and + `stats/global_stds.npy` files in your data directory. They should be `.npy` files + containing a 1D array with length equal to the number of variables in the dataset, + with each value giving the mean (for `global_means.npy`) or standard deviation (for + `global_stds.npy`) of the corresponding variable. +* A JSON file with metadata about the contents of the HDF5 files. See [here](data.json) + for an example describing the dataset used to train the original model. +* Optional: NetCDF4 files containing the orography and land-sea mask for the grid + contained in the data. These should contain a variable of the same shape as the data + +## Configuration + +The model training is controlled by YAML configuration files managed by +[Hydra](https://hydra.cc/), found in the `config` directory. The full configuration for +training the original model is [`train_interp.yaml`](config/train_interp.yaml). +[`train_interp_lite.yaml`](config/train_interp_lite.yaml) runs a short test run with a +lightweight model, which is not expected to produce useful checkpoints but can be used +to test that training runs without errors. + +See the comments in the configuration files for an explanation of each configuration +parameter. To replicate the model from the paper, you only need to change the file and +directory paths to correspond to those on your system. If you train it with a custom +dataset, you may also need to change the `model.in_channels` and `model.out_channels` +parameters. + +## Starting training + +Test training by running the `train.py` script using the "lite" configuration file on a +system with a GPU: + +```bash +python train.py --config-name=train_interp_lite.yaml +``` + +For a multi-GPU or multi-node training job, launch the training with the +`train_interp.yaml` configuration file using `torchrun` or MPI. For example, to train on +8 nodes with 8 GPUs each for a total of 64 GPUs, start a distributed compute job (e.g. +using SLURM or Run:ai) and use: + +```bash +torchrun --nnodes=8 --nproc-per-node=8 train.py --config-name=train_interp.yaml +``` + +or the equivalent `mpirun` command. The code will automatically utilize all GPUs +available to the job. Remember to set `training.batch_size` in the configuration file to +the batch size *per process*. + +Configuration parameters can be overridden from the command line using the Hydra syntax. +For instance, to set the optimizer learning rate to 0.0001 for the current run, you +could use + +```bash +torchrun --nnodes=8 --nproc-per-node=8 train.py --config-name=train_interp.yaml ++training.optimizer_params.lr=0.0001 +``` diff --git a/examples/weather/temporal_interpolation/data.json b/examples/weather/temporal_interpolation/data.json new file mode 100644 index 0000000000..e930afdf7f --- /dev/null +++ b/examples/weather/temporal_interpolation/data.json @@ -0,0 +1,2258 @@ +{ + "dataset_name": "73ch-hourly", + "attrs": { + "selene_path": "/lustre/fsw/sw_earth2_ml/test_datasets/73varQ-hourly", + "description": "ERA5 data at 6 hourly frequency with snapshots at every hour 0000, 0100, 0200, 0300, ..., 2300 UTC. First snapshot in each file is Jan 01 0000 UTC. " + }, + "h5_path": "fields", + "dims": [ + "time", + "channel", + "lat", + "lon" + ], + "dhours": 1, + "coords": { + "grid_type": "equiangular", + "lat": [ + 90.0, + 89.75, + 89.5, + 89.25, + 89.0, + 88.75, + 88.5, + 88.25, + 88.0, + 87.75, + 87.5, + 87.25, + 87.0, + 86.75, + 86.5, + 86.25, + 86.0, + 85.75, + 85.5, + 85.25, + 85.0, + 84.75, + 84.5, + 84.25, + 84.0, + 83.75, + 83.5, + 83.25, + 83.0, + 82.75, + 82.5, + 82.25, + 82.0, + 81.75, + 81.5, + 81.25, + 81.0, + 80.75, + 80.5, + 80.25, + 80.0, + 79.75, + 79.5, + 79.25, + 79.0, + 78.75, + 78.5, + 78.25, + 78.0, + 77.75, + 77.5, + 77.25, + 77.0, + 76.75, + 76.5, + 76.25, + 76.0, + 75.75, + 75.5, + 75.25, + 75.0, + 74.75, + 74.5, + 74.25, + 74.0, + 73.75, + 73.5, + 73.25, + 73.0, + 72.75, + 72.5, + 72.25, + 72.0, + 71.75, + 71.5, + 71.25, + 71.0, + 70.75, + 70.5, + 70.25, + 70.0, + 69.75, + 69.5, + 69.25, + 69.0, + 68.75, + 68.5, + 68.25, + 68.0, + 67.75, + 67.5, + 67.25, + 67.0, + 66.75, + 66.5, + 66.25, + 66.0, + 65.75, + 65.5, + 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"u300", + "u400", + "u500", + "u600", + "u700", + "u850", + "u925", + "u1000", + "v50", + "v100", + "v150", + "v200", + "v250", + "v300", + "v400", + "v500", + "v600", + "v700", + "v850", + "v925", + "v1000", + "z50", + "z100", + "z150", + "z200", + "z250", + "z300", + "z400", + "z500", + "z600", + "z700", + "z850", + "z925", + "z1000", + "t50", + "t100", + "t150", + "t200", + "t250", + "t300", + "t400", + "t500", + "t600", + "t700", + "t850", + "t925", + "t1000", + "q50", + "q100", + "q150", + "q200", + "q250", + "q300", + "q400", + "q500", + "q600", + "q700", + "q850", + "q925", + "q1000" + ] + } +} diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index c3ee90caac..115184042a 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -73,7 +73,7 @@ def __init__( scheduler: type[torch.optim.lr_scheduler.LRScheduler] | None = None, scheduler_params: dict[str, Any] | None = None, max_epoch: int = 1, - load_epoch: int | Literal["latest"] = None, + load_epoch: int | Literal["latest"] | None = "latest", checkpoint_every: int = 1, checkpoint_dir: str | None = None, validation_callbacks: Sequence[Callable] = (), From f56991e4ea3c67a02096811634c496e5560e717a Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Mon, 13 Oct 2025 08:35:06 -0700 Subject: [PATCH 03/26] Docs changes based on comments --- examples/weather/temporal_interpolation/README.md | 5 ++--- .../weather/temporal_interpolation/config/train_interp.yaml | 4 ++-- .../temporal_interpolation/config/train_interp_lite.yaml | 5 ++--- examples/weather/temporal_interpolation/requirements.txt | 1 + 4 files changed, 7 insertions(+), 8 deletions(-) create mode 100644 examples/weather/temporal_interpolation/requirements.txt diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index cf899db466..eae941fbc5 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -22,11 +22,10 @@ Using the [PhysicsNeMo container](https://catalog.ngc.nvidia.com/orgs/nvidia/teams/physicsnemo/containers/physicsnemo) is recommended. -This example uses MLFlow to manage data logging. MLFlow is not installed by default; -install it by running +Install additional packages (MLFlow) needed by this example: ```bash -pip install mlflow +pip install -r requirements.txt ``` ### Data diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index e30a46a90c..126cb44df2 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -25,11 +25,11 @@ model: mlp_ratio: 2.0 # multiplier for MLP hidden layer size num_blocks: 12 # number of AFNO blocks - scale_shift_mode: complex # "real" or "complex" + scale_shift_mode: complex # type of numbers used for the ModAFNO modulation, "real" or "complex" embed_model: dim: 64 # width of time embedding net depth: 1 # depth of time embedding net - method: sinusoidal # embedding type used in time embedding net + method: sinusoidal # embedding type used in time embedding net, "sinusoidal" or "learned" datapipe: data_dir: "/data/era5-73varQ-hourly" # directory where data files are located diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index f1f80e55aa..93316c102d 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -29,12 +29,11 @@ model: mlp_ratio: 2.0 # multiplier for MLP hidden layer size num_blocks: 2 # number of AFNO blocks - scale_shift_mode: complex # "real" or "complex" + scale_shift_mode: complex # type of numbers used for the ModAFNO modulation, "real" or "complex" embed_model: dim: 64 # width of time embedding net depth: 1 # depth of time embedding net - method: sinusoidal # embedding type used in time embedding net - + method: sinusoidal # embedding type used in time embedding net, "sinusoidal" or "learned" datapipe: data_dir: "/data/era5-73varQ-hourly" # directory where data files are located metadata_path: "/data/era5-73varQ-hourly/metadata/data.json" # directory to metadata json file diff --git a/examples/weather/temporal_interpolation/requirements.txt b/examples/weather/temporal_interpolation/requirements.txt new file mode 100644 index 0000000000..c51f257854 --- /dev/null +++ b/examples/weather/temporal_interpolation/requirements.txt @@ -0,0 +1 @@ +mlflow>=2.1.1 \ No newline at end of file From ae6eed1770027d972d6ce87008c2ab1d82b8f3de Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Tue, 14 Oct 2025 03:43:40 -0700 Subject: [PATCH 04/26] Update docstrings and README --- .../weather/temporal_interpolation/README.md | 23 ++- .../datapipe/climate_interp.py | 92 ++++++++--- .../weather/temporal_interpolation/train.py | 124 ++++++++++----- .../utils/distribute.py | 18 ++- .../temporal_interpolation/utils/loss.py | 31 +++- .../temporal_interpolation/utils/trainer.py | 147 ++++++++++++------ 6 files changed, 313 insertions(+), 122 deletions(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index eae941fbc5..2367efec5d 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -6,7 +6,17 @@ interpolation allows this to be improved to 1 hour. With appropriate training da higher temporal resolutions should be achievable. This PhysicsNeMo example shows how to train a ModAFNO-based temporal interpolation model -with a custom dataset. For access to the pre-trained model, see the [wrapper in +with a custom dataset. This architecture uses an embedding network to determine +parameters for a shift+scale operation that is used to modify the behavior of the AFNO +network depending on a given conditionning variable. In the case of temporal +interpolation, the atmospheric states at both ends of the interpolation interval are +passed as inputs along with some auxiliary data such as orography, and the conditioning +indicates which time step between the endpoints will be generated by the model. The +interpolation is deterministic and trained with latitude-weighted L2 loss. However, it +can still be used to produce probabilistic forecasts if used to interpolate results of +probabilistic forecast models. + +For access to the pre-trained model, see the [wrapper in Earth2Studio](https://nvidia.github.io/earth2studio/modules/generated/models/px/earth2studio.models.px.InterpModAFNO.html#earth2studio.models.px.InterpModAFNO). A technical description of the model can be found in the paper ["Modulated Adaptive Fourier Neural Operators for Temporal Interpolation of Weather @@ -45,7 +55,7 @@ To train a temporal interpolation model, you need the following: containing a 1D array with length equal to the number of variables in the dataset, with each value giving the mean (for `global_means.npy`) or standard deviation (for `global_stds.npy`) of the corresponding variable. -* A JSON file with metadata about the contents of the HDF5 files. See [here](data.json) +* A JSON file with metadata about the contents of the HDF5 files. See [here](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/data.json) for an example describing the dataset used to train the original model. * Optional: NetCDF4 files containing the orography and land-sea mask for the grid contained in the data. These should contain a variable of the same shape as the data @@ -54,10 +64,11 @@ To train a temporal interpolation model, you need the following: The model training is controlled by YAML configuration files managed by [Hydra](https://hydra.cc/), found in the `config` directory. The full configuration for -training the original model is [`train_interp.yaml`](config/train_interp.yaml). -[`train_interp_lite.yaml`](config/train_interp_lite.yaml) runs a short test run with a -lightweight model, which is not expected to produce useful checkpoints but can be used -to test that training runs without errors. +training the original model is +[`train_interp.yaml`](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/config/train_interp.yaml). +[`train_interp_lite.yaml`](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/config/train_interp_lite.yaml) +runs a short test run with a lightweight model, which is not expected to produce useful +checkpoints but can be used to test that training runs without errors. See the comments in the configuration files for an explanation of each configuration parameter. To replicate the model from the paper, you only need to change the file and diff --git a/examples/weather/temporal_interpolation/datapipe/climate_interp.py b/examples/weather/temporal_interpolation/datapipe/climate_interp.py index a2b6c5f65f..d1263112b9 100644 --- a/examples/weather/temporal_interpolation/datapipe/climate_interp.py +++ b/examples/weather/temporal_interpolation/datapipe/climate_interp.py @@ -29,7 +29,18 @@ class InterpDaliExternalSource(ClimateDaliExternalSource): - """Data source specialized for interpolation training.""" + """ + Data source specialized for interpolation training. + + Parameters + ---------- + *args : tuple + Positional arguments passed to parent class. + all_steps : bool, optional + Whether to return all steps in the sequence. Default is False. + **kwargs : dict + Keyword arguments passed to parent class. + """ def __init__(self, *args, all_steps: bool = False, **kwargs): super().__init__(*args, **kwargs) @@ -38,12 +49,20 @@ def __init__(self, *args, all_steps: bool = False, **kwargs): def __call__( self, sample_info: dali.types.SampleInfo ) -> tuple[np.ndarray, np.ndarray]: - """Get data from source. - - Args: - sample_info: Information about the sample to retrieve. - Returns: - Sequence of training data along with the accompanying timestamps. + """ + Get data from source. + + Parameters + ---------- + sample_info : dali.types.SampleInfo + Information about the sample to retrieve. + + Returns + ------- + state_seq : np.ndarray + Sequence of training data. + timestamps : np.ndarray + Accompanying timestamps for the sequence. """ if sample_info.iteration >= self.num_batches: @@ -93,8 +112,17 @@ def __len__(self) -> int: class InterpHDF5DaliExternalSource( ClimateHDF5DaliExternalSource, InterpDaliExternalSource ): - """DALI source for reading HDF5 formatted climate data files, - specialized for interpolation training. + """ + DALI source for reading HDF5 formatted climate data files. + + Specialized for interpolation training with HDF5 climate data. + + Parameters + ---------- + *args : tuple + Positional arguments passed to parent classes. + **kwargs : dict + Keyword arguments passed to parent classes. """ def __init__(self, *args, **kwargs): @@ -108,16 +136,24 @@ def _get_read_buffer(self, steps: list[int], data) -> np.ndarray: def _load_sequence( self, year_idx: int, idx: int, steps: np.ndarray, num_retries: int = 10 ) -> np.ndarray: - """Load sequence of data for interpolation training. - - Args: - year_idx: The index of the yearly data file. - idx: The starting index of the data sequence in the yearly file. - steps: A, array of index offsets relative to idx (e.g. [0, 6, 2]) - num_retries: number of times to retry in case of IO failure - - Returns: - Data of shape (len(steps), num_channels, height, width) + """ + Load sequence of data for interpolation training. + + Parameters + ---------- + year_idx : int + The index of the yearly data file. + idx : int + The starting index of the data sequence in the yearly file. + steps : np.ndarray + Array of index offsets relative to idx (e.g. [0, 6, 2]). + num_retries : int, optional + Number of times to retry in case of IO failure. Default is 10. + + Returns + ------- + np.ndarray + Data of shape (len(steps), num_channels, height, width). """ # the data is returned in a (time, channels, height, width) shape @@ -150,10 +186,24 @@ def _load_sequence( class InterpClimateDatapipe(ClimateDatapipe): - """Extends ClimateDatapipe to use interpolation source.""" + """ + Extends ClimateDatapipe to use interpolation source. + """ def _source_cls_from_type(self, source_type: str) -> type[InterpDaliExternalSource]: - """Get the external source class based on a string descriptor.""" + """ + Get the external source class based on a string descriptor. + + Parameters + ---------- + source_type : str + String identifier for the source type (e.g., 'hdf5'). + + Returns + ------- + type[InterpDaliExternalSource] + The appropriate external source class for the given type. + """ return { "hdf5": InterpHDF5DaliExternalSource, }[source_type] diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index 7900746f89..ee71259b55 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -50,25 +50,47 @@ def setup_datapipes( valid_start_year: int = 2017, valid_shuffle: bool = False, ) -> tuple[InterpClimateDatapipe, InterpClimateDatapipe]: - """Setup datapipes for training. + """ + Setup datapipes for training. The arguments passed to this function can be modified in the 'datapipe' section of the config. - Args: - data_dir: path to data directory - dist_manager: an initialized DistributedManager instance - geopotential_filename: path to NetCDF file with global geopotential on the 0.25 deg grid - geopotential_filename: path to NetCDF file with global land-sea mask on the 0.25 deg grid - use_latlon: if True, will return latitude and longitude from the datapipe - num_samples_per_year_train: number of training samples per year - num_samples_per_year_valid: number of validation samples per year - batch_size_train: batch size per GPU for training - batch_size_valid: batch size per GPU for validation, when None equal to batch_size_train - num_workers: number of datapipe workers per training process - valid_subdir: subdirectory in data_dir where validation data is found - valid_shuffle: when True, shuffle order of validation set; recommend setting this to False for consistent validation results - Returns: + Parameters + ---------- + data_dir : str + Path to data directory. + dist_manager : DistributedManager + An initialized DistributedManager instance. + metadata_path : str + Path to metadata file. + geopotential_filename : str or None, optional + Path to NetCDF file with global geopotential on the 0.25 deg grid. + lsm_filename : str or None, optional + Path to NetCDF file with global land-sea mask on the 0.25 deg grid. + use_latlon : bool, optional + If True, will return latitude and longitude from the datapipe. + num_samples_per_year_train : int, optional + Number of training samples per year. + num_samples_per_year_valid : int, optional + Number of validation samples per year. + batch_size_train : int, optional + Batch size per GPU for training. + batch_size_valid : int or None, optional + Batch size per GPU for validation, when None equal to batch_size_train. + num_workers : int, optional + Number of datapipe workers per training process. + valid_subdir : str, optional + Subdirectory in data_dir where validation data is found. + valid_start_year : int, optional + Starting year for validation data. + valid_shuffle : bool, optional + When True, shuffle order of validation set; recommend setting to False + for consistent validation results. + + Returns + ------- + tuple of (InterpClimateDatapipe, InterpClimateDatapipe) Tuple of training datapipe and validation datapipe. """ if batch_size_valid is None: @@ -128,7 +150,7 @@ def setup_datapipes( return (pipe_train, pipe_valid) -# default parameters if not overridden by config +# Default parameters if not overridden by config default_model_params = { "modafno": { "inp_shape": (720, 1440), @@ -143,12 +165,18 @@ def setup_datapipes( def setup_model(model_cfg: dict | None = None) -> Module: - """Setup interpolation model. + """ + Setup interpolation model. + + Parameters + ---------- + model_cfg : dict or None, optional + Model configuration dict. - Args: - model_cfg: model configuration dict - Returns: - Model object + Returns + ------- + Module + Model object. """ if model_cfg is None: model_cfg = {} @@ -173,16 +201,23 @@ def setup_model(model_cfg: dict | None = None) -> Module: def input_output_from_batch_data( batch: dict[str, torch.Tensor], time_scale: float = 6 * 3600.0 ) -> tuple[[tuple[torch.Tensor, torch.Tensor], torch.Tensor]]: - """Function to convert the datapipe output dict to model input and output batches. - - Args: - batch: The data dict returned by the datapipe. - time_scale: Number of seconds between the interpolation endpoints (default 6 hours) - Returns: - Nested tuple in the form ((input, time), output) + """ + Convert the datapipe output dict to model input and output batches. + + Parameters + ---------- + batch : dict[str, torch.Tensor] + The data dict returned by the datapipe. + time_scale : float, optional + Number of seconds between the interpolation endpoints (default 6 hours). + + Returns + ------- + tuple + Nested tuple in the form ((input, time), output). """ batch = batch[0] - # concatenate all input variables to a single tensor + # Concatenate all input variables to a single tensor atmos_vars = batch["state_seq-atmos"] cos_zenith = batch["cos_zenith-atmos"].squeeze(dim=2) @@ -198,26 +233,32 @@ def input_output_from_batch_data( atmos_vars_out = atmos_vars[:, 2] time = batch["timestamps-atmos"] - # normalize time coordinate + # Normalize time coordinate time = (time[:, -1:] - time[:, :1]).to(dtype=torch.float32) / time_scale return ((atmos_vars_in, time), atmos_vars_out) def setup_trainer(**cfg: dict) -> Trainer: - """Setup training environment. + """ + Setup training environment. + + Parameters + ---------- + **cfg : dict + The configuration dict passed from hydra. - Args: - cfg: The configuration dict passed from hydra. - Returns: + Returns + ------- + Trainer The Trainer object for training the interpolation model. """ - # setup model + # Setup model model = setup_model(model_cfg=cfg["model"]) (model, dist_manager) = distribute.distribute_model(model) - # setup datapipes + # Setup datapipes (train_datapipe, valid_datapipe) = setup_datapipes( **cfg["datapipe"], dist_manager=dist_manager, @@ -228,7 +269,7 @@ def setup_trainer(**cfg: dict) -> Trainer: initialize_mlflow(**mlflow_cfg) LaunchLogger.initialize(use_mlflow=True) - # setup training loop + # Setup training loop loss_func = loss.GeometricL2Loss(num_lats_cropped=cfg["model"]["inp_shape"][0]).to( device=dist_manager.device ) @@ -247,7 +288,14 @@ def setup_trainer(**cfg: dict) -> Trainer: @hydra.main(version_base=None, config_path="config") def main(cfg): - """Main function.""" + """ + Main entry point for training the interpolation model. + + Parameters + ---------- + cfg : DictConfig + Hydra configuration object. + """ trainer = setup_trainer(**OmegaConf.to_container(cfg)) trainer.fit() diff --git a/examples/weather/temporal_interpolation/utils/distribute.py b/examples/weather/temporal_interpolation/utils/distribute.py index 28f4f6d0dd..0497c76c2c 100644 --- a/examples/weather/temporal_interpolation/utils/distribute.py +++ b/examples/weather/temporal_interpolation/utils/distribute.py @@ -21,7 +21,23 @@ def distribute_model( model: torch.nn.Module, ) -> tuple[torch.nn.Module, DistributedManager]: - """Initialize DistributedManager and distribute model to multiple processes with DDP.""" + """ + Initialize DistributedManager and distribute model to multiple processes with DDP. + + Parameters + ---------- + model : torch.nn.Module + The PyTorch model to be distributed across multiple processes. + + Returns + ------- + tuple[torch.nn.Module, DistributedManager] + A tuple containing: + - model : torch.nn.Module + The model, wrapped with DistributedDataParallel if needed. + - dist : DistributedManager + The initialized DistributedManager instance. + """ if not DistributedManager.is_initialized(): DistributedManager.initialize() diff --git a/examples/weather/temporal_interpolation/utils/loss.py b/examples/weather/temporal_interpolation/utils/loss.py index 3223ce8dfc..74209cbe21 100644 --- a/examples/weather/temporal_interpolation/utils/loss.py +++ b/examples/weather/temporal_interpolation/utils/loss.py @@ -21,11 +21,16 @@ class GeometricL2Loss(nn.Module): """Latitude weighted L2 (MSE) loss. - Args: - lat_range: range of latitudes to cover - num_lats: number of latitudes in lat_range - num_lats_cropped: use the first num_lats_cropped latitudes - input_dims: number of dimensions in the input tensors passed to `forward` + Parameters + ---------- + lat_range : tuple[float, float], optional + Range of latitudes to cover, by default (-90.0, 90.0) + num_lats : int, optional + Number of latitudes in lat_range, by default 721 + num_lats_cropped : int, optional + Use the first num_lats_cropped latitudes, by default 720 + input_dims : int, optional + Number of dimensions in the input tensors passed to `forward`, by default 4 """ def __init__( @@ -51,7 +56,21 @@ def __init__( self.register_buffer("weights", weights) def forward(self, pred: torch.Tensor, true: torch.Tensor) -> torch.Tensor: - """Compute loss.""" + """Compute loss. + + Parameters + ---------- + pred : torch.Tensor + Predicted values, shape (..., num_lats_cropped, num_lons), + number of dimensions must equal ``input_dims`` + true : torch.Tensor + True values, shape equal to pred + + Returns + ------- + torch.Tensor + The computed loss + """ err = torch.square(pred - true) err = torch.sum(err * self.weights, dim=-2) return torch.mean(err) diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index 115184042a..f1e6adb8aa 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -35,28 +35,46 @@ class Trainer: """Training loop. - Args: - model: model to train - dist_manager: initialized DistributedManager - loss: loss function - train_datapipe: ClimateDatapipe providing training data - valid_datapipe: ClimateDatapipe providing validation data - samples_per_epoch: number of samples to draw from the datapipe per 'epoch' - input_output_from_batch_data: function that converts datapipe outputs to training - batches, if not provided will try to use outputs as-is - optimizer: optimizer class used for training, when None will setup - apex.optimizers.FusedAdam if available, otherwise PyTorch Adam - optimizer_params: dict of parameters (e.g. learning rate) to pass to optimizer - scheduler: learning rate scheduler class, when None will setup CosineAnnealingLR - scheduler_params: dict of parameters to pass to LR scheduler - max_epoch: the last training epoch - load_epoch: which epoch to load; one of: - - "latest" (to continue from latest checkpoint in checkpoint_dir) - - int (to continue from the specified epoch) - - None (to start from scratch) - checkpoint_dir: the directory where checkpoints are saved - validation_callbacks: optional callables to execute on validation, signature - callback(outvar_true, outvar_pred, epoch=epoch, batch_idx=batch_idx) + Parameters + ---------- + model : Module + Model to train. + dist_manager : DistributedManager + Initialized DistributedManager. + loss : torch.nn.Module + Loss function. + train_datapipe : ClimateDatapipe + ClimateDatapipe providing training data. + valid_datapipe : ClimateDatapipe + ClimateDatapipe providing validation data. + samples_per_epoch : int + Number of samples to draw from the datapipe per 'epoch'. + input_output_from_batch_data : Callable, optional + Function that converts datapipe outputs to training batches. + If not provided, will try to use outputs as-is. + optimizer : type[torch.optim.Optimizer] or None, optional + Optimizer class used for training. When None, will setup + apex.optimizers.FusedAdam if available, otherwise PyTorch Adam. + optimizer_params : dict[str, Any] or None, optional + Dict of parameters (e.g. learning rate) to pass to optimizer. + scheduler : type[torch.optim.lr_scheduler.LRScheduler] or None, optional + Learning rate scheduler class. When None, will setup CosineAnnealingLR. + scheduler_params : dict[str, Any] or None, optional + Dict of parameters to pass to LR scheduler. + max_epoch : int, optional + The last training epoch. + load_epoch : int, "latest", or None, optional + Which epoch to load. Options: + - "latest": continue from latest checkpoint in checkpoint_dir + - int: continue from the specified epoch + - None: start from scratch + checkpoint_every : int, optional + Save checkpoint every N epochs. + checkpoint_dir : str or None, optional + The directory where checkpoints are saved. + validation_callbacks : Sequence[Callable], optional + Optional callables to execute on validation. Signature: + callback(outvar_true, outvar_pred, epoch=epoch, batch_idx=batch_idx). """ def __init__( @@ -124,10 +142,14 @@ def __init__( def eval_step(self, invar: tuple) -> torch.Tensor: """Evaluate model for one step. - Args: - invar: The inputs to the model, packed into a tuple. + Parameters + ---------- + invar : tuple + The inputs to the model, packed into a tuple. - Returns: + Returns + ------- + torch.Tensor The output of the model. """ return self.model(*invar) @@ -137,10 +159,16 @@ def train_step_forward( ) -> torch.Tensor: """Training step. - Args: - invar: model inputs packed into a tuple - outvar_true: correct output value - Returns: + Parameters + ---------- + invar : tuple + Model inputs packed into a tuple. + outvar_true : torch.Tensor + Correct output value. + + Returns + ------- + torch.Tensor Model loss on the given data. """ outvar_pred = self.model(*invar) @@ -202,7 +230,9 @@ def train_on_epoch(self): def validate_on_epoch(self) -> torch.Tensor: """Compute loss and metrics over one validation epoch. - Returns: + Returns + ------- + torch.Tensor Validation loss as a tensor. """ loss_epoch = 0 @@ -238,13 +268,19 @@ def setup_optimizer( ) -> torch.optim.Optimizer: """Setup optimizer. - Args: - model: model that optimizer is applied to - opt_cls: optimizer class; when None will setup - apex.optimizers.FusedAdam if available, otherwise PyTorch Adam - opt_params: dict of parameters (e.g. learning rate) to pass to optimizer - - Returns: + Parameters + ---------- + model : torch.nn.Module + Model that optimizer is applied to. + opt_cls : type[torch.optim.Optimizer] or None, optional + Optimizer class. When None, will setup apex.optimizers.FusedAdam + if available, otherwise PyTorch Adam. + opt_params : dict or None, optional + Dict of parameters (e.g. learning rate) to pass to optimizer. + + Returns + ------- + torch.optim.Optimizer Initialized optimizer. """ @@ -268,14 +304,19 @@ def setup_lr_scheduler( ) -> torch.optim.lr_scheduler.LRScheduler: """Setup learning rate scheduler. - Args: - optimizer: optimizer to which the scheduling is applied - scheduler_cls: scheduler class; when None will setup - apex.optimizers.FusedAdam if available, otherwise PyTorch Adam - scheduler_params: dict of parameters to pass to scheduler - - Returns: - Initialized optimizer. + Parameters + ---------- + optimizer : torch.optim.Optimizer + Optimizer to which the scheduling is applied. + scheduler_cls : type[torch.optim.lr_scheduler.LRScheduler] or None, optional + Scheduler class. When None, will setup CosineAnnealingLR. + scheduler_params : dict[str, Any] or None, optional + Dict of parameters to pass to scheduler. + + Returns + ------- + torch.optim.lr_scheduler.LRScheduler + Initialized scheduler. """ scheduler_kwargs = {} @@ -288,12 +329,18 @@ def setup_lr_scheduler( return scheduler_cls(optimizer, **scheduler_kwargs) def load_checkpoint(self, epoch: int | None = None) -> int: - """Try to load model state from a checkpoint. Do nothing if a checkpoint - is not found in self.checkpoint_dir. + """Try to load model state from a checkpoint. + + Do nothing if a checkpoint is not found in self.checkpoint_dir. + + Parameters + ---------- + epoch : int or None, optional + The number of epoch to load. When None, the latest epoch is loaded. - Args: - epoch: The number of epoch to load. When None, the latest epoch is loaded. - Returns: + Returns + ------- + int The epoch of the loaded checkpoint, or 0 if no checkpoint was found. 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zWSeASQ=npjKnMKwI{Xz#QFdl&wq|YiW^p!Wb#`ZAX<|tL2o4HIbf5`FfL}9~XOT8( zm3C>FwrQPKU^(_+QE`_@U}z0WXo)sEbUO3E&3^syuXHZD*!!-*#^e_izz6aTT{~?_mIb zKt>2EaLFTZeZXxO_i`~eb2WE!L$+}r*9XQ!d~{$uL_h~Bw{ST(byatDS+{ln!E z_kNYPan~1;W?+Bg*L~?1e+77e2{>~bHw6Aye%CjFQGfxgw}2ryf+cut5BNJkVE+a# z7zE-5gXPzOC-{RwID~n&aXUb6Oc(@mKyFg_ggsb&EpPB@2sIEj^biBF4!YuJR1*objhhncvFt+&%bIE=-ZhqJhg%~*@Sn2N`EjoCPY^9_@QxF6bhkNFsX-#Cu% zxQ_*odw_>05G2Qd7mNn9-z6NFPWbOdY}<@p6%w2?M47h znV=cEq3gAk;rNvkT8$mLqAePhlHs4_IH4E%qCNVf4F`_tn4M7 Date: Tue, 14 Oct 2025 05:25:25 -0700 Subject: [PATCH 06/26] Add animation link --- examples/weather/temporal_interpolation/README.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 2367efec5d..1b33f6f638 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -22,6 +22,8 @@ A technical description of the model can be found in the paper ["Modulated Adapt Fourier Neural Operators for Temporal Interpolation of Weather Forecasts"](https://arxiv.org/abs/2410.18904). +![CorrDiff-based downscaling over Taiwan](../../../docs/img/temporal_interpolation.png) + ## Requirements ### Environment From 6f09aa1e5a05838828242cf6203ac322f4332255 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Tue, 14 Oct 2025 06:34:59 -0700 Subject: [PATCH 07/26] Add shape check in loss --- examples/weather/temporal_interpolation/utils/loss.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/examples/weather/temporal_interpolation/utils/loss.py b/examples/weather/temporal_interpolation/utils/loss.py index 74209cbe21..8ca43cad39 100644 --- a/examples/weather/temporal_interpolation/utils/loss.py +++ b/examples/weather/temporal_interpolation/utils/loss.py @@ -71,6 +71,12 @@ def forward(self, pred: torch.Tensor, true: torch.Tensor) -> torch.Tensor: torch.Tensor The computed loss """ + if not (pred.ndim == true.ndim == self.weights.ndim): + raise ValueError( + "Shape mismatch: pred, true and weights must have the same number of dimensions." + ) + if pred.shape != true.shape: + raise ValueError("Shape mismatch: pred and true must have the same shape") err = torch.square(pred - true) err = torch.sum(err * self.weights, dim=-2) return torch.mean(err) From 811a38a94e52a6fc7f2b2fa7e9a55a89f88ce999 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Wed, 15 Oct 2025 07:10:19 -0700 Subject: [PATCH 08/26] Updates of configs + trainer --- .../config/train_interp.yaml | 7 +- .../config/train_interp_lite.yaml | 8 +- .../weather/temporal_interpolation/data.json | 2170 +---------------- .../weather/temporal_interpolation/train.py | 40 +- .../temporal_interpolation/utils/trainer.py | 136 +- 5 files changed, 95 insertions(+), 2266 deletions(-) diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index 126cb44df2..d03c26443e 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -18,8 +18,8 @@ model: model_type: "modafno" # should always be "modafno" model_name: "modafno-cplxscale-smallpatch" # name for the model inp_shape: [720, 1440] # should be [720, 1440], must be divisible by patch_size - in_channels: 155 # number of input channels to the model, use 155 for 73-var ERA5 - out_channels: 73 # number of output channels from the model, use 73 for 73-var ERA5 + in_channels: null # number of input channels to the model, null determines it from datapipe + out_channels: null # number of output channels from the model, null determines it from datapipe patch_size: [2,2] # size of AFNO patches embed_dim: 512 # embedding dimension mlp_ratio: 2.0 # multiplier for MLP hidden layer size @@ -37,13 +37,14 @@ datapipe: geopotential_filename: "/data/era5-wind_gust/invariants/orography.nc" # location of orography file lsm_filename: "/data/era5-wind_gust/invariants/land_sea_mask.nc" # location of lsm file use_latlon: True # when True, return latitude and longitude from datapipe - num_samples_per_year_train: 8748 # number of training samples per year (8748 == 365 * 24 - 12) + num_samples_per_year_train: null # number of training samples per year, null uses all available num_samples_per_year_valid: 64 # number of validation samples per year batch_size_train: 1 # batch size per GPU training: max_epoch: 120 # number of data "epochs" samples_per_epoch: 50000 # number of samples per "epoch" + load_epoch: "latest" # int, null or "latest"; "latest" loads the most recent checkpoint in checkpoint_dir checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved optimizer_params: lr: 5e-4 # learning rate diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index 93316c102d..ca4ab8f79b 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -22,8 +22,8 @@ model: model_type: "modafno" # should always be "modafno" model_name: "modafno-test" # name for the model inp_shape: [720, 1440] # should be [720, 1440], must be divisible by patch_size - in_channels: 155 # number of input channels to the model, use 155 for 73-var ERA5 - out_channels: 73 # number of output channels from the model, use 73 for 73-var ERA5 + in_channels: null # number of input channels to the model, null determines it from datapipe + out_channels: null # number of output channels from the model, null determines it from datapipe patch_size: [8,8] # size of AFNO patches embed_dim: 64 # embedding dimension mlp_ratio: 2.0 # multiplier for MLP hidden layer size @@ -34,19 +34,21 @@ model: dim: 64 # width of time embedding net depth: 1 # depth of time embedding net method: sinusoidal # embedding type used in time embedding net, "sinusoidal" or "learned" + datapipe: data_dir: "/data/era5-73varQ-hourly" # directory where data files are located metadata_path: "/data/era5-73varQ-hourly/metadata/data.json" # directory to metadata json file geopotential_filename: "/data/era5-wind_gust/invariants/orography.nc" # location of orography file lsm_filename: "/data/era5-wind_gust/invariants/land_sea_mask.nc" # location of lsm file use_latlon: True # when True, return latitude and longitude from datapipe - num_samples_per_year_train: 8748 # number of training samples per year (8748 == 365 * 24 - 12) + num_samples_per_year_train: null # number of training samples per year, null uses all available num_samples_per_year_valid: 64 # number of validation samples per year batch_size_train: 1 # batch size per GPU training: max_epoch: 4 # number of data "epochs" samples_per_epoch: 50 # number of samples per "epoch" + load_epoch: "latest" # int, null or "latest"; "latest" loads the most recent checkpoint in checkpoint_dir checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved optimizer_params: lr: 5e-4 # learning rate diff --git a/examples/weather/temporal_interpolation/data.json b/examples/weather/temporal_interpolation/data.json index e930afdf7f..e9593b8449 100644 --- a/examples/weather/temporal_interpolation/data.json +++ b/examples/weather/temporal_interpolation/data.json @@ -1,8 +1,7 @@ { "dataset_name": "73ch-hourly", "attrs": { - "selene_path": "/lustre/fsw/sw_earth2_ml/test_datasets/73varQ-hourly", - "description": "ERA5 data at 6 hourly frequency with snapshots at every hour 0000, 0100, 0200, 0300, ..., 2300 UTC. First snapshot in each file is Jan 01 0000 UTC. " + "description": "ERA5 data at 1 hourly frequency with snapshots at every hour 0000, 0100, 0200, 0300, ..., 2300 UTC. First snapshot in each file is Jan 01 0000 UTC. " }, "h5_path": "fields", "dims": [ @@ -11,2174 +10,7 @@ "lat", "lon" ], - "dhours": 1, "coords": { - "grid_type": "equiangular", - "lat": [ - 90.0, - 89.75, - 89.5, - 89.25, - 89.0, - 88.75, - 88.5, - 88.25, - 88.0, - 87.75, - 87.5, - 87.25, - 87.0, - 86.75, - 86.5, - 86.25, - 86.0, - 85.75, - 85.5, - 85.25, - 85.0, - 84.75, - 84.5, - 84.25, - 84.0, - 83.75, - 83.5, - 83.25, - 83.0, - 82.75, - 82.5, - 82.25, - 82.0, - 81.75, - 81.5, - 81.25, - 81.0, - 80.75, - 80.5, - 80.25, - 80.0, - 79.75, - 79.5, - 79.25, - 79.0, - 78.75, - 78.5, - 78.25, - 78.0, - 77.75, - 77.5, - 77.25, - 77.0, - 76.75, - 76.5, - 76.25, - 76.0, - 75.75, - 75.5, - 75.25, - 75.0, - 74.75, - 74.5, - 74.25, - 74.0, - 73.75, - 73.5, - 73.25, - 73.0, - 72.75, - 72.5, - 72.25, - 72.0, - 71.75, - 71.5, - 71.25, - 71.0, - 70.75, - 70.5, - 70.25, - 70.0, - 69.75, - 69.5, - 69.25, - 69.0, - 68.75, - 68.5, - 68.25, - 68.0, - 67.75, - 67.5, - 67.25, - 67.0, - 66.75, - 66.5, - 66.25, - 66.0, - 65.75, - 65.5, - 65.25, - 65.0, - 64.75, - 64.5, - 64.25, - 64.0, - 63.75, - 63.5, - 63.25, - 63.0, - 62.75, - 62.5, - 62.25, - 62.0, - 61.75, - 61.5, - 61.25, - 61.0, - 60.75, - 60.5, - 60.25, - 60.0, - 59.75, - 59.5, - 59.25, - 59.0, - 58.75, - 58.5, - 58.25, - 58.0, - 57.75, - 57.5, - 57.25, - 57.0, - 56.75, - 56.5, - 56.25, - 56.0, - 55.75, - 55.5, - 55.25, - 55.0, - 54.75, - 54.5, - 54.25, - 54.0, - 53.75, - 53.5, - 53.25, - 53.0, - 52.75, - 52.5, - 52.25, - 52.0, - 51.75, - 51.5, - 51.25, - 51.0, - 50.75, - 50.5, - 50.25, - 50.0, - 49.75, - 49.5, - 49.25, - 49.0, - 48.75, - 48.5, - 48.25, - 48.0, - 47.75, - 47.5, - 47.25, - 47.0, - 46.75, - 46.5, - 46.25, - 46.0, - 45.75, - 45.5, - 45.25, - 45.0, - 44.75, - 44.5, - 44.25, - 44.0, - 43.75, - 43.5, - 43.25, - 43.0, - 42.75, - 42.5, - 42.25, - 42.0, - 41.75, - 41.5, - 41.25, - 41.0, - 40.75, - 40.5, - 40.25, - 40.0, - 39.75, - 39.5, - 39.25, - 39.0, - 38.75, - 38.5, - 38.25, - 38.0, - 37.75, - 37.5, - 37.25, - 37.0, - 36.75, - 36.5, - 36.25, - 36.0, - 35.75, - 35.5, - 35.25, - 35.0, - 34.75, - 34.5, - 34.25, - 34.0, - 33.75, - 33.5, - 33.25, - 33.0, - 32.75, - 32.5, - 32.25, - 32.0, - 31.75, - 31.5, - 31.25, - 31.0, - 30.75, - 30.5, - 30.25, - 30.0, - 29.75, - 29.5, - 29.25, - 29.0, - 28.75, - 28.5, - 28.25, - 28.0, - 27.75, - 27.5, - 27.25, - 27.0, - 26.75, - 26.5, - 26.25, - 26.0, - 25.75, - 25.5, - 25.25, - 25.0, - 24.75, - 24.5, - 24.25, - 24.0, - 23.75, - 23.5, - 23.25, - 23.0, - 22.75, - 22.5, - 22.25, - 22.0, - 21.75, - 21.5, - 21.25, - 21.0, - 20.75, - 20.5, - 20.25, - 20.0, - 19.75, - 19.5, - 19.25, - 19.0, - 18.75, - 18.5, - 18.25, - 18.0, - 17.75, - 17.5, - 17.25, - 17.0, - 16.75, - 16.5, - 16.25, - 16.0, - 15.75, - 15.5, - 15.25, - 15.0, - 14.75, - 14.5, - 14.25, - 14.0, - 13.75, - 13.5, - 13.25, - 13.0, - 12.75, - 12.5, - 12.25, - 12.0, - 11.75, - 11.5, - 11.25, - 11.0, - 10.75, - 10.5, - 10.25, - 10.0, - 9.75, - 9.5, - 9.25, - 9.0, - 8.75, - 8.5, - 8.25, - 8.0, - 7.75, - 7.5, - 7.25, - 7.0, - 6.75, - 6.5, - 6.25, - 6.0, - 5.75, - 5.5, - 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num_samples_per_year_train: int = 365 * 24 - 6, + num_samples_per_year_train: int | None = None, num_samples_per_year_valid: int = 4, batch_size_train: int = 4, batch_size_valid: int | None = None, @@ -70,8 +70,8 @@ def setup_datapipes( Path to NetCDF file with global land-sea mask on the 0.25 deg grid. use_latlon : bool, optional If True, will return latitude and longitude from the datapipe. - num_samples_per_year_train : int, optional - Number of training samples per year. + num_samples_per_year_train : int or None, optional + Number of training samples per year, if None will use all available samples. num_samples_per_year_valid : int, optional Number of validation samples per year. batch_size_train : int, optional @@ -110,16 +110,19 @@ def setup_datapipes( ) spec_train = ClimateDataSourceSpec(data_dir=train_dir, **spec_kwargs) - spec_valid = ClimateDataSourceSpec(data_dir=valid_dir, **spec_kwargs) invariants = {} + num_aux_channels = 3 # 3 channels for cos_zenith if use_latlon: invariants["latlon"] = invariant.LatLon() + num_aux_channels += 4 if geopotential_filename is not None: invariants["geopotential"] = invariant.FileInvariant(geopotential_filename, "Z") + num_aux_channels += 1 if lsm_filename is not None: invariants["land_sea_mask"] = invariant.FileInvariant(lsm_filename, "LSM") + num_aux_channels += 1 pipe_kwargs = dict( invariants=invariants, @@ -129,6 +132,9 @@ def setup_datapipes( dt=1.0, ) + if num_samples_per_year_train is None: + num_samples_per_year_train = 365 * 24 - 12 # -12 to prevent overflow + pipe_train = InterpClimateDatapipe( [spec_train], batch_size=batch_size_train, @@ -147,7 +153,7 @@ def setup_datapipes( **pipe_kwargs, ) - return (pipe_train, pipe_valid) + return (pipe_train, pipe_valid, num_aux_channels) # Default parameters if not overridden by config @@ -164,7 +170,9 @@ def setup_datapipes( } -def setup_model(model_cfg: dict | None = None) -> Module: +def setup_model( + num_variables: int, num_auxiliaries: int, model_cfg: dict | None = None +) -> Module: """ Setup interpolation model. @@ -185,6 +193,10 @@ def setup_model(model_cfg: dict | None = None) -> Module: raise ValueError( "Model types other than 'modafno' are not currently supported." ) + if model_cfg.get("in_channels") is None: + model_cfg["in_channels"] = 2 * num_variables + num_auxiliaries + if model_cfg.get("out_channels") is None: + model_cfg["out_channels"] = num_variables model_name = model_cfg.pop("model_name") model_kwargs = default_model_params[model_type].copy() model_kwargs.update(model_cfg) @@ -254,16 +266,22 @@ def setup_trainer(**cfg: dict) -> Trainer: The Trainer object for training the interpolation model. """ - # Setup model - model = setup_model(model_cfg=cfg["model"]) - (model, dist_manager) = distribute.distribute_model(model) + DistributedManager.initialize() # Setup datapipes - (train_datapipe, valid_datapipe) = setup_datapipes( + (train_datapipe, valid_datapipe, num_aux_channels) = setup_datapipes( **cfg["datapipe"], - dist_manager=dist_manager, + dist_manager=DistributedManager(), ) + # Setup model + model = setup_model( + num_variables=len(train_datapipe.sources[0].variables), + num_auxiliaries=num_aux_channels, + model_cfg=cfg["model"], + ) + (model, dist_manager) = distribute.distribute_model(model) + mlflow_cfg = cfg.get("logging", {}).get("mlflow", {}) if mlflow_cfg.pop("use_mlflow", False): initialize_mlflow(**mlflow_cfg) diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index f1e6adb8aa..0f70d53785 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -100,14 +100,16 @@ def __init__( self.dist_manager = dist_manager self.loss = loss self.train_datapipe = train_datapipe + self.train_iterator = iter(self.train_datapipe) self.valid_datapipe = valid_datapipe self.max_epoch = max_epoch self.input_output_from_batch_data = input_output_from_batch_data - self.optimizer = self.setup_optimizer( - model, opt_cls=optimizer, opt_params=optimizer_params - ) - self.lr_scheduler = self.setup_lr_scheduler( - self.optimizer, scheduler_cls=scheduler, scheduler_params=scheduler_params + self.optimizer, self.lr_scheduler = self.setup_optimizer( + model, + opt_cls=optimizer, + opt_params=optimizer_params, + scheduler_cls=scheduler, + scheduler_params=scheduler_params, ) self.validation_callbacks = validation_callbacks self.device = self.dist_manager.device @@ -134,7 +136,6 @@ def __init__( model=self.model, logger=self.logger, use_graphs=False )(self.eval_step) - self.train_iter = self._train_iter() self.local_batches_per_epoch = samples_per_epoch // ( train_datapipe.world_size * train_datapipe.batch_size ) @@ -177,55 +178,47 @@ def train_step_forward( def fit(self): """Main function for training loop.""" for self.epoch in range(self.epoch, self.max_epoch + 1): - self.train_on_epoch() + with LaunchLogger( + "train", + epoch=self.epoch, + num_mini_batch=self.local_batches_per_epoch, + epoch_alert_freq=10, + ) as log: + for _ in range(self.local_batches_per_epoch): + try: + batch = next(self.train_iterator) + except StopIteration: + self.train_iterator = iter(self.train_datapipe) + batch = next(self.train_iterator) + loss = self.train_step_forward( + *self.input_output_from_batch_data(batch) + ) + log.log_minibatch({"loss": loss.detach()}) + + log.log_epoch({"Learning Rate": self.optimizer.param_groups[0]["lr"]}) + + # Validation + if self.dist_manager.rank == 0: + with LaunchLogger("valid", epoch=self.epoch) as log: + error = self.validate_on_epoch() + log.log_epoch({"Validation error": error}) + + if self.dist_manager.world_size > 1: + torch.distributed.barrier() + + self.lr_scheduler.step() + + checkpoint_epoch = (self.checkpoint_dir is not None) and ( + (self.epoch % self.checkpoint_every == 0) + or (self.epoch == self.max_epoch) + ) + if checkpoint_epoch and self.dist_manager.rank == 0: + # Save Modulus Launch checkpoint + self.save_checkpoint() if self.dist_manager.rank == 0: self.logger.info("Finished training!") - def _train_iter(self): - """Iterate training items.""" - while True: - yield from self.train_datapipe - - def _iter_n_train_batches(self, n): - """Iterate over n training items.""" - for _ in range(n): - yield next(self.train_iter) - - def train_on_epoch(self): - """Train for one epoch.""" - with LaunchLogger( - "train", - epoch=self.epoch, - num_mini_batch=self.local_batches_per_epoch, - epoch_alert_freq=10, - ) as log: - for batch in self._iter_n_train_batches(self.local_batches_per_epoch): - loss = self.train_step_forward( - *self.input_output_from_batch_data(batch) - ) - log.log_minibatch({"loss": loss.detach()}) - - log.log_epoch({"Learning Rate": self.optimizer.param_groups[0]["lr"]}) - - # Validation - if self.dist_manager.rank == 0: - with LaunchLogger("valid", epoch=self.epoch) as log: - error = self.validate_on_epoch() - log.log_epoch({"Validation error": error}) - - if self.dist_manager.world_size > 1: - torch.distributed.barrier() - - self.lr_scheduler.step() - - checkpoint_epoch = (self.checkpoint_dir is not None) and ( - (self.epoch % self.checkpoint_every == 0) or (self.epoch == self.max_epoch) - ) - if checkpoint_epoch and self.dist_manager.rank == 0: - # Save Modulus Launch checkpoint - self.save_checkpoint() - @torch.no_grad() def validate_on_epoch(self) -> torch.Tensor: """Compute loss and metrics over one validation epoch. @@ -265,7 +258,9 @@ def setup_optimizer( model: torch.nn.Module, opt_cls: type[torch.optim.Optimizer] | None = None, opt_params: dict | None = None, - ) -> torch.optim.Optimizer: + scheduler_cls: type[torch.optim.lr_scheduler.LRScheduler] | None = None, + scheduler_params: dict[str, Any] | None = None, + ) -> tuple[torch.optim.Optimizer, torch.optim.lr_scheduler.LRScheduler]: """Setup optimizer. Parameters @@ -277,11 +272,15 @@ def setup_optimizer( if available, otherwise PyTorch Adam. opt_params : dict or None, optional Dict of parameters (e.g. learning rate) to pass to optimizer. + scheduler_cls : type[torch.optim.lr_scheduler.LRScheduler] or None, optional + Scheduler class. When None, will setup CosineAnnealingLR. + scheduler_params : dict[str, Any] or None, optional + Dict of parameters to pass to scheduler. Returns ------- - torch.optim.Optimizer - Initialized optimizer. + tuple[torch.optim.Optimizer, torch.optim.lr_scheduler.LRScheduler] + The initialized optimizer and learning rate scheduler. """ opt_kwargs = {"lr": 0.0005} @@ -294,31 +293,6 @@ def setup_optimizer( except NameError: # in case we don't have apex opt_cls = torch.optim.Adam - return opt_cls(model.parameters(), **opt_kwargs) - - def setup_lr_scheduler( - self, - optimizer: torch.optim.Optimizer, - scheduler_cls: type[torch.optim.lr_scheduler.LRScheduler] | None = None, - scheduler_params: dict[str, Any] | None = None, - ) -> torch.optim.lr_scheduler.LRScheduler: - """Setup learning rate scheduler. - - Parameters - ---------- - optimizer : torch.optim.Optimizer - Optimizer to which the scheduling is applied. - scheduler_cls : type[torch.optim.lr_scheduler.LRScheduler] or None, optional - Scheduler class. When None, will setup CosineAnnealingLR. - scheduler_params : dict[str, Any] or None, optional - Dict of parameters to pass to scheduler. - - Returns - ------- - torch.optim.lr_scheduler.LRScheduler - Initialized scheduler. - """ - scheduler_kwargs = {} if scheduler_cls is None: scheduler_cls = torch.optim.lr_scheduler.CosineAnnealingLR @@ -326,7 +300,9 @@ def setup_lr_scheduler( if scheduler_params is not None: scheduler_kwargs.update(scheduler_params) - return scheduler_cls(optimizer, **scheduler_kwargs) + optimizer = opt_cls(model.parameters(), **opt_kwargs) + scheduler = scheduler_cls(optimizer, **scheduler_kwargs) + return (optimizer, scheduler) def load_checkpoint(self, epoch: int | None = None) -> int: """Try to load model state from a checkpoint. From cb23fe62ac5768ed516f466b962923fa6f90628d Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Wed, 15 Oct 2025 07:11:40 -0700 Subject: [PATCH 09/26] Update config comments --- .../weather/temporal_interpolation/config/train_interp.yaml | 2 +- .../temporal_interpolation/config/train_interp_lite.yaml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index d03c26443e..d69435da5e 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -42,7 +42,7 @@ datapipe: batch_size_train: 1 # batch size per GPU training: - max_epoch: 120 # number of data "epochs" + max_epoch: 120 # number of data "epochs" (each epoch we save a checkpoint, run validation, update LR) samples_per_epoch: 50000 # number of samples per "epoch" load_epoch: "latest" # int, null or "latest"; "latest" loads the most recent checkpoint in checkpoint_dir checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index ca4ab8f79b..9325ae6b2e 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -46,7 +46,7 @@ datapipe: batch_size_train: 1 # batch size per GPU training: - max_epoch: 4 # number of data "epochs" + max_epoch: 4 # number of data "epochs" (each epoch we save a checkpoint, run validation, update LR) samples_per_epoch: 50 # number of samples per "epoch" load_epoch: "latest" # int, null or "latest"; "latest" loads the most recent checkpoint in checkpoint_dir checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved From 8d6ae4280438cd24acf1c37f89781053620851b1 Mon Sep 17 00:00:00 2001 From: megnvidia Date: Tue, 21 Oct 2025 14:37:04 -0700 Subject: [PATCH 10/26] Update README.md style guide edits --- .../weather/temporal_interpolation/README.md | 62 +++++++++---------- 1 file changed, 31 insertions(+), 31 deletions(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 1b33f6f638..fb12dbfdcf 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -1,22 +1,22 @@ # Earth-2 Temporal Interpolation Model The temporal interpolation model is used to increase the temporal resolution of AI-based -forecast models. These typically have a native temporal resolution of 6 hours; the -interpolation allows this to be improved to 1 hour. With appropriate training data, even -higher temporal resolutions should be achievable. +forecast models. These typically have a native temporal resolution of six hours; the +interpolation allows this to be improved to one hour. With appropriate training data, even +higher temporal resolutions might be achievable. This PhysicsNeMo example shows how to train a ModAFNO-based temporal interpolation model with a custom dataset. This architecture uses an embedding network to determine -parameters for a shift+scale operation that is used to modify the behavior of the AFNO -network depending on a given conditionning variable. In the case of temporal +parameters for a shift and scale operation that is used to modify the behavior of the AFNO +network depending on a given conditionning variable. For temporal interpolation, the atmospheric states at both ends of the interpolation interval are -passed as inputs along with some auxiliary data such as orography, and the conditioning +passed as inputs along with some auxiliary data, such as orography, and the conditioning indicates which time step between the endpoints will be generated by the model. The -interpolation is deterministic and trained with latitude-weighted L2 loss. However, it -can still be used to produce probabilistic forecasts if used to interpolate results of +interpolation is deterministic and trained with a latitude-weighted L2 loss. However, it +can still be used to produce probabilistic forecasts, if used to interpolate results of probabilistic forecast models. -For access to the pre-trained model, see the [wrapper in +For access to the pre-trained model, refer to the [wrapper in Earth2Studio](https://nvidia.github.io/earth2studio/modules/generated/models/px/earth2studio.models.px.InterpModAFNO.html#earth2studio.models.px.InterpModAFNO). A technical description of the model can be found in the paper ["Modulated Adaptive Fourier Neural Operators for Temporal Interpolation of Weather @@ -28,13 +28,13 @@ Forecasts"](https://arxiv.org/abs/2410.18904). ### Environment -You need to have PhysicsNeMo installed on a GPU system. Training useful models in -practice requires a multi-GPU system; for the original model, 64 H100 GPUs were used. +You must have PhysicsNeMo installed on a GPU system. Training useful models, in +practice, requires a multi-GPU system; for the original model, 64 H100 GPUs were used. Using the [PhysicsNeMo container](https://catalog.ngc.nvidia.com/orgs/nvidia/teams/physicsnemo/containers/physicsnemo) is recommended. -Install additional packages (MLFlow) needed by this example: +Install the additional packages (MLFlow) needed by this example: ```bash pip install -r requirements.txt @@ -42,45 +42,45 @@ pip install -r requirements.txt ### Data -To train a temporal interpolation model, you need the following: +To train a temporal interpolation model, ensure you have the following: -* A dataset of yearly HDF5 files at 1-hour resolution. For more details, see the section +* A dataset of yearly HDF5 files at one-hour resolution. For more details, refer to the section ["Data Format and Structure" in the diagnostic model example](https://github.com/NVIDIA/physicsnemo/blob/5a64525c40eada2248cd3eacee0a6ac4735ae380/examples/weather/diagnostic/README.md#data-format-and-structure). - These datasets can be very large: the dataset used to train the original model, with + These datasets can be very large. The dataset used to train the original model, with 73 variables from 1980 to 2017, is approximately 100 TB in size. The data used to train the original model are on the ERA5 0.25 degree grid with shape `(721, 1440)` but - other resolutions should work too. + other resolutions can work too. * Statistics files containing the mean and standard deviation of each channel in the - data files. They should be found in the `stats/global_means.npy` and - `stats/global_stds.npy` files in your data directory. They should be `.npy` files + data files. They must be in the `stats/global_means.npy` and + `stats/global_stds.npy` files in your data directory. They must be `.npy` files containing a 1D array with length equal to the number of variables in the dataset, with each value giving the mean (for `global_means.npy`) or standard deviation (for `global_stds.npy`) of the corresponding variable. -* A JSON file with metadata about the contents of the HDF5 files. See [here](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/data.json) +* A JSON file with metadata about the contents of the HDF5 files. Refer to [data sample](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/data.json) for an example describing the dataset used to train the original model. * Optional: NetCDF4 files containing the orography and land-sea mask for the grid - contained in the data. These should contain a variable of the same shape as the data + contained in the data. These should contain a variable of the same shape as the data. ## Configuration -The model training is controlled by YAML configuration files managed by -[Hydra](https://hydra.cc/), found in the `config` directory. The full configuration for -training the original model is +The model training is controlled by YAML configuration files that are managed by +[Hydra](https://hydra.cc/), which is found in the `config` directory. The full configuration for +training of the original model is [`train_interp.yaml`](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/config/train_interp.yaml). [`train_interp_lite.yaml`](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/config/train_interp_lite.yaml) -runs a short test run with a lightweight model, which is not expected to produce useful -checkpoints but can be used to test that training runs without errors. +runs a short test with a lightweight model, which is not expected to produce useful +checkpoints but can be used to verify that training runs without errors. See the comments in the configuration files for an explanation of each configuration parameter. To replicate the model from the paper, you only need to change the file and directory paths to correspond to those on your system. If you train it with a custom -dataset, you may also need to change the `model.in_channels` and `model.out_channels` +dataset, you might also need to change the `model.in_channels` and `model.out_channels` parameters. -## Starting training +## Starting Training -Test training by running the `train.py` script using the "lite" configuration file on a +Test the training by running the `train.py` script using the "lite" configuration file on a system with a GPU: ```bash @@ -89,20 +89,20 @@ python train.py --config-name=train_interp_lite.yaml For a multi-GPU or multi-node training job, launch the training with the `train_interp.yaml` configuration file using `torchrun` or MPI. For example, to train on -8 nodes with 8 GPUs each for a total of 64 GPUs, start a distributed compute job (e.g. +eight nodes with eight GPUs each, for a total of 64 GPUs, start a distributed compute job (for example, using SLURM or Run:ai) and use: ```bash torchrun --nnodes=8 --nproc-per-node=8 train.py --config-name=train_interp.yaml ``` -or the equivalent `mpirun` command. The code will automatically utilize all GPUs +Or the equivalent `mpirun` command. The code will automatically use all GPUs available to the job. Remember to set `training.batch_size` in the configuration file to the batch size *per process*. Configuration parameters can be overridden from the command line using the Hydra syntax. For instance, to set the optimizer learning rate to 0.0001 for the current run, you -could use +can use: ```bash torchrun --nnodes=8 --nproc-per-node=8 train.py --config-name=train_interp.yaml ++training.optimizer_params.lr=0.0001 From e1c202be77ab51f333d71a887cf99a6a2584aec1 Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Tue, 21 Oct 2025 18:27:28 -0700 Subject: [PATCH 11/26] Added wandb logging Signed-off-by: Charlelie Laurent --- .../config/train_interp.yaml | 6 ++ .../config/train_interp_lite.yaml | 6 ++ .../temporal_interpolation/requirements.txt | 3 +- .../weather/temporal_interpolation/train.py | 42 ++++++++++++ .../temporal_interpolation/utils/trainer.py | 65 ++++++++++++++++++- 5 files changed, 120 insertions(+), 2 deletions(-) diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index d69435da5e..981f004142 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -55,3 +55,9 @@ logging: use_mlflow: True # when True, produce logs with mlflow experiment_name: "Forecast interpolation model" # experiment name, can be set freely user_name: "PhysicsNeMo User" # user name, can be set freely + wandb: + use_wandb: False # when True, produce logs with wandb + mode: "offline" # "online", "offline", or "disabled" + project: "Temporal-Interpolation-Training" # project name for wandb + entity: null # entity (username or team) for Weights & Biases + results_dir: "./wandb/" # directory to save wandb logs diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index 9325ae6b2e..cf763df2b6 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -59,3 +59,9 @@ logging: use_mlflow: True # when True, produce logs with mlflow experiment_name: "Forecast interpolation model" # experiment name, can be set freely user_name: "PhysicsNeMo User" # user name, can be set freely + wandb: + use_wandb: False # when True, produce logs with wandb + mode: "offline" # "online", "offline", or "disabled" + project: "Temporal-Interpolation-Training" # project name for wandb + entity: null # entity (username or team) for Weights & Biases + results_dir: "./wandb/" # directory to save wandb logs diff --git a/examples/weather/temporal_interpolation/requirements.txt b/examples/weather/temporal_interpolation/requirements.txt index c51f257854..cf7cc3b60f 100644 --- a/examples/weather/temporal_interpolation/requirements.txt +++ b/examples/weather/temporal_interpolation/requirements.txt @@ -1 +1,2 @@ -mlflow>=2.1.1 \ No newline at end of file +mlflow>=2.1.1 +wandb>=0.13.7 \ No newline at end of file diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index 057d0a2f16..62c0409465 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -15,10 +15,12 @@ # limitations under the License. import os +import datetime import hydra from omegaconf import OmegaConf import torch +import wandb from physicsnemo import Module from physicsnemo.datapipes.climate.climate import ClimateDataSourceSpec @@ -26,7 +28,9 @@ from physicsnemo.distributed import DistributedManager from physicsnemo.launch.logging import LaunchLogger from physicsnemo.launch.logging.mlflow import initialize_mlflow +from physicsnemo.launch.logging.wandb import initialize_wandb from physicsnemo.models.afno import ModAFNO +from physicsnemo.launch.utils import load_checkpoint from datapipe.climate_interp import InterpClimateDatapipe from utils import distribute, loss @@ -287,6 +291,38 @@ def setup_trainer(**cfg: dict) -> Trainer: initialize_mlflow(**mlflow_cfg) LaunchLogger.initialize(use_mlflow=True) + # Initialize wandb + use_wandb = False + wandb_cfg = cfg.get("logging", {}).get("wandb", {}) + if wandb_cfg.get("use_wandb", False): + use_wandb = True + timestamp = datetime.datetime.now().strftime("%Y-%m-%d-%H-%M-%S") + # Get checkpoint directory + checkpoint_dir = cfg.get("training", {}).get("checkpoint_dir") + # Check if we need to resume from checkpoint + wandb_id = None + resume = None + load_epoch = cfg.get("training", {}).get("load_epoch") + if checkpoint_dir is not None and load_epoch is not None: + metadata = {"wandb_id": None} + load_checkpoint(checkpoint_dir, metadata_dict=metadata) + wandb_id = metadata.get("wandb_id") + if wandb_id is not None: + resume = "must" + + initialize_wandb( + project=wandb_cfg.get("project", "Temporal-Interpolation-Training"), + entity=wandb_cfg.get("entity"), + mode=wandb_cfg.get("mode", "offline"), + config=OmegaConf.to_container(cfg, resolve=True, throw_on_missing=False), + results_dir=wandb_cfg.get("results_dir", "./wandb/"), + wandb_id=wandb_id, + resume=resume, + save_code=True, + name=f"train-{timestamp}", + init_timeout=600, + ) + # Setup training loop loss_func = loss.GeometricL2Loss(num_lats_cropped=cfg["model"]["inp_shape"][0]).to( device=dist_manager.device @@ -298,6 +334,7 @@ def setup_trainer(**cfg: dict) -> Trainer: train_datapipe=train_datapipe, valid_datapipe=valid_datapipe, input_output_from_batch_data=input_output_from_batch_data, + use_wandb=use_wandb, **cfg["training"], ) @@ -317,6 +354,11 @@ def main(cfg): trainer = setup_trainer(**OmegaConf.to_container(cfg)) trainer.fit() + # Finish wandb logging if it was used + use_wandb = cfg.get("logging", {}).get("wandb", {}).get("use_wandb", False) + if use_wandb: + wandb.finish() + if __name__ == "__main__": main() diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index 0f70d53785..0113beefb2 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -17,6 +17,10 @@ from collections.abc import Callable, Sequence from typing import Any, Literal import warnings +import time + +import torch +import wandb from physicsnemo import Module from physicsnemo.datapipes.climate.climate import ClimateDatapipe @@ -24,7 +28,6 @@ from physicsnemo.utils import StaticCaptureTraining, StaticCaptureEvaluateNoGrad from physicsnemo.launch.logging import LaunchLogger, PythonLogger from physicsnemo.launch.utils import load_checkpoint, save_checkpoint -import torch try: from apex.optimizers import FusedAdam @@ -75,6 +78,8 @@ class Trainer: validation_callbacks : Sequence[Callable], optional Optional callables to execute on validation. Signature: callback(outvar_true, outvar_pred, epoch=epoch, batch_idx=batch_idx). + use_wandb : bool, optional + When True, log metrics to Weights & Biases. """ def __init__( @@ -95,6 +100,7 @@ def __init__( checkpoint_every: int = 1, checkpoint_dir: str | None = None, validation_callbacks: Sequence[Callable] = (), + use_wandb: bool = False, ): self.model = model self.dist_manager = dist_manager @@ -114,10 +120,12 @@ def __init__( self.validation_callbacks = validation_callbacks self.device = self.dist_manager.device self.logger = PythonLogger() + self.use_wandb = use_wandb self.checkpoint_every = checkpoint_every self.checkpoint_dir = checkpoint_dir self.epoch = 1 + self.total_samples_trained = 0 if load_epoch is not None: epoch = None if load_epoch == "latest" else load_epoch self.load_checkpoint(epoch=epoch) @@ -177,7 +185,17 @@ def train_step_forward( def fit(self): """Main function for training loop.""" + # Log initial learning rate to wandb + use_wandb_log = self.use_wandb and self.dist_manager.rank == 0 + if use_wandb_log: + current_lr = self.optimizer.param_groups[0]["lr"] + wandb.log({"lr": current_lr, "epoch": self.epoch - 1}) + for self.epoch in range(self.epoch, self.max_epoch + 1): + epoch_loss = 0.0 + epoch_samples = 0 + time_start = time.time() + with LaunchLogger( "train", epoch=self.epoch, @@ -195,14 +213,52 @@ def fit(self): ) log.log_minibatch({"loss": loss.detach()}) + # Track loss for epoch average + batch_size = self.train_datapipe.batch_size + epoch_loss += loss.item() * batch_size + epoch_samples += batch_size + + # Log batch-level metrics to wandb + if use_wandb_log: + current_lr = self.optimizer.param_groups[0]["lr"] + wandb.log({"batch_loss": loss.item(), "lr": current_lr}) + log.log_epoch({"Learning Rate": self.optimizer.param_groups[0]["lr"]}) + # Compute epoch statistics + time_end = time.time() + mean_loss = epoch_loss / epoch_samples if epoch_samples > 0 else 0.0 + self.total_samples_trained += epoch_samples + + # Log epoch-level metrics to wandb + if use_wandb_log: + current_lr = self.optimizer.param_groups[0]["lr"] + metrics = { + "epoch": self.epoch, + "mean_loss": mean_loss, + "time_per_epoch": time_end - time_start, + "lr": current_lr, + "total_samples_trained": self.total_samples_trained, + "epoch_samples": epoch_samples, + } + wandb.log(metrics) + # Validation if self.dist_manager.rank == 0: with LaunchLogger("valid", epoch=self.epoch) as log: error = self.validate_on_epoch() log.log_epoch({"Validation error": error}) + # Log validation metrics to wandb + if use_wandb_log: + val_loss = error.item() if torch.is_tensor(error) else error + val_metrics = { + "val_loss": val_loss, + "epoch": self.epoch, + "total_samples_trained": (self.total_samples_trained), + } + wandb.log(val_metrics) + if self.dist_manager.world_size > 1: torch.distributed.barrier() @@ -321,6 +377,7 @@ def load_checkpoint(self, epoch: int | None = None) -> int: """ if self.checkpoint_dir is None: raise ValueError("checkpoint_dir must be set in order to load checkpoints.") + metadata = {"total_samples_trained": self.total_samples_trained} self.epoch = load_checkpoint( self.checkpoint_dir, models=self.model, @@ -328,17 +385,23 @@ def load_checkpoint(self, epoch: int | None = None) -> int: scheduler=self.lr_scheduler, device=self.device, epoch=epoch, + metadata_dict=metadata, ) + self.total_samples_trained = metadata.get("total_samples_trained", 0) return self.epoch def save_checkpoint(self): """Save current model state as a checkpoint.""" if self.checkpoint_dir is None: raise ValueError("checkpoint_dir must be set in order to save checkpoints.") + metadata = {"total_samples_trained": self.total_samples_trained} + if self.use_wandb and wandb.run is not None: + metadata["wandb_id"] = wandb.run.id save_checkpoint( self.checkpoint_dir, models=self.model, optimizer=self.optimizer, scheduler=self.lr_scheduler, epoch=self.epoch, + metadata=metadata, ) From a253d6e7e226a266b6c8c2d12b990563c27648aa Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Tue, 21 Oct 2025 18:49:58 -0700 Subject: [PATCH 12/26] Reformated sections in docstring for GeometricL2Loss Signed-off-by: Charlelie Laurent --- .../temporal_interpolation/utils/loss.py | 31 +++++++++---------- 1 file changed, 15 insertions(+), 16 deletions(-) diff --git a/examples/weather/temporal_interpolation/utils/loss.py b/examples/weather/temporal_interpolation/utils/loss.py index 8ca43cad39..aca592347c 100644 --- a/examples/weather/temporal_interpolation/utils/loss.py +++ b/examples/weather/temporal_interpolation/utils/loss.py @@ -30,7 +30,21 @@ class GeometricL2Loss(nn.Module): num_lats_cropped : int, optional Use the first num_lats_cropped latitudes, by default 720 input_dims : int, optional - Number of dimensions in the input tensors passed to `forward`, by default 4 + Number of dimensions in the input tensors passed to `forward`, by + default 4. + + Forward + ------- + pred : torch.Tensor + Predicted values, shape (..., num_lats_cropped, num_lons), + number of dimensions must equal ``input_dims`` + true : torch.Tensor + True values, shape equal to pred + + Outputs + ------- + torch.Tensor + The computed loss """ def __init__( @@ -56,21 +70,6 @@ def __init__( self.register_buffer("weights", weights) def forward(self, pred: torch.Tensor, true: torch.Tensor) -> torch.Tensor: - """Compute loss. - - Parameters - ---------- - pred : torch.Tensor - Predicted values, shape (..., num_lats_cropped, num_lons), - number of dimensions must equal ``input_dims`` - true : torch.Tensor - True values, shape equal to pred - - Returns - ------- - torch.Tensor - The computed loss - """ if not (pred.ndim == true.ndim == self.weights.ndim): raise ValueError( "Shape mismatch: pred, true and weights must have the same number of dimensions." From e25aaebf43a8484c8453f94227eef40d497f5715 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Wed, 22 Oct 2025 02:18:42 -0700 Subject: [PATCH 13/26] Update README and configs --- examples/weather/temporal_interpolation/README.md | 2 +- .../weather/temporal_interpolation/config/train_interp.yaml | 2 +- .../temporal_interpolation/config/train_interp_lite.yaml | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 1b33f6f638..55b5e66dea 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -22,7 +22,7 @@ A technical description of the model can be found in the paper ["Modulated Adapt Fourier Neural Operators for Temporal Interpolation of Weather Forecasts"](https://arxiv.org/abs/2410.18904). -![CorrDiff-based downscaling over Taiwan](../../../docs/img/temporal_interpolation.png) +![Example of temporal interpolation of wind speed](../../../docs/img/temporal_interpolation.gif) ## Requirements diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index d69435da5e..cd6d39624e 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -22,7 +22,7 @@ model: out_channels: null # number of output channels from the model, null determines it from datapipe patch_size: [2,2] # size of AFNO patches embed_dim: 512 # embedding dimension - mlp_ratio: 2.0 # multiplier for MLP hidden layer size + mlp_ratio: 2.0 # multiplier for MLP hidden layer size (may be a non-integer value, e.g. 2.5) num_blocks: 12 # number of AFNO blocks scale_shift_mode: complex # type of numbers used for the ModAFNO modulation, "real" or "complex" diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index 9325ae6b2e..5b83f75ef7 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -26,7 +26,7 @@ model: out_channels: null # number of output channels from the model, null determines it from datapipe patch_size: [8,8] # size of AFNO patches embed_dim: 64 # embedding dimension - mlp_ratio: 2.0 # multiplier for MLP hidden layer size + mlp_ratio: 2.0 # multiplier for MLP hidden layer size (may be a non-integer value, e.g. 2.5) num_blocks: 2 # number of AFNO blocks scale_shift_mode: complex # type of numbers used for the ModAFNO modulation, "real" or "complex" From 8475e1d1582ef7f2896a0fadc658628625b7541b Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Wed, 22 Oct 2025 05:22:27 -0700 Subject: [PATCH 14/26] README changes + type hint fixes --- .../weather/temporal_interpolation/README.md | 32 ++++++++++++------- .../weather/temporal_interpolation/train.py | 8 ++--- 2 files changed, 25 insertions(+), 15 deletions(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 08586a2958..bd0ad0c853 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -8,13 +8,20 @@ higher temporal resolutions might be achievable. This PhysicsNeMo example shows how to train a ModAFNO-based temporal interpolation model with a custom dataset. This architecture uses an embedding network to determine parameters for a shift and scale operation that is used to modify the behavior of the AFNO -network depending on a given conditionning variable. For temporal +network depending on a given conditioning variable. For temporal interpolation, the atmospheric states at both ends of the interpolation interval are passed as inputs along with some auxiliary data, such as orography, and the conditioning indicates which time step between the endpoints will be generated by the model. The interpolation is deterministic and trained with a latitude-weighted L2 loss. However, it can still be used to produce probabilistic forecasts, if used to interpolate results of -probabilistic forecast models. +probabilistic forecast models. More formally, the ModAFNO $f_{\theta}$ is a conditional +expected-value model that approximates: +$$ +f_{\theta} (x_{t}, x_{t+T}, \Delta t) \approx +\mathbb{E} \left[ x_{t + \Delta t} | x_{t}, x_{t+T}, \Delta t \right] +$$ +$0 \leq \Delta t \leq T$. In the pre-trained model, $T = 6$ hours and +$\Delta t \in {0, 1, 2, 3, 4, 5, 6}$ hours. For access to the pre-trained model, refer to the [wrapper in Earth2Studio](https://nvidia.github.io/earth2studio/modules/generated/models/px/earth2studio.models.px.InterpModAFNO.html#earth2studio.models.px.InterpModAFNO). @@ -44,13 +51,16 @@ pip install -r requirements.txt To train a temporal interpolation model, ensure you have the following: -* A dataset of yearly HDF5 files at one-hour resolution. For more details, refer to the section - ["Data Format and Structure" in the diagnostic model +* A dataset of yearly HDF5 files at one-hour resolution. For more details, refer to the + section ["Data Format and Structure" in the diagnostic model example](https://github.com/NVIDIA/physicsnemo/blob/5a64525c40eada2248cd3eacee0a6ac4735ae380/examples/weather/diagnostic/README.md#data-format-and-structure). These datasets can be very large. The dataset used to train the original model, with 73 variables from 1980 to 2017, is approximately 100 TB in size. The data used to train the original model are on the ERA5 0.25 degree grid with shape `(721, 1440)` but - other resolutions can work too. + other resolutions can work too. The ERA5 data is freely accessible; a recommended + method to download it is the [ERA5 interface in + Earth2Studio](https://nvidia.github.io/earth2studio/modules/generated/data/earth2studio.data.CDS.html). + The data downloaded from this interface must then be inserted into the HDF5 file. * Statistics files containing the mean and standard deviation of each channel in the data files. They must be in the `stats/global_means.npy` and `stats/global_stds.npy` files in your data directory. They must be `.npy` files @@ -65,8 +75,8 @@ To train a temporal interpolation model, ensure you have the following: ## Configuration The model training is controlled by YAML configuration files that are managed by -[Hydra](https://hydra.cc/), which is found in the `config` directory. The full configuration for -training of the original model is +[Hydra](https://hydra.cc/), which is found in the `config` directory. The full +configuration for training of the original model is [`train_interp.yaml`](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/config/train_interp.yaml). [`train_interp_lite.yaml`](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/config/train_interp_lite.yaml) runs a short test with a lightweight model, which is not expected to produce useful @@ -80,8 +90,8 @@ parameters. ## Starting Training -Test the training by running the `train.py` script using the "lite" configuration file on a -system with a GPU: +Test the training by running the `train.py` script using the "lite" configuration file +on a system with a GPU: ```bash python train.py --config-name=train_interp_lite.yaml @@ -89,8 +99,8 @@ python train.py --config-name=train_interp_lite.yaml For a multi-GPU or multi-node training job, launch the training with the `train_interp.yaml` configuration file using `torchrun` or MPI. For example, to train on -eight nodes with eight GPUs each, for a total of 64 GPUs, start a distributed compute job (for example, -using SLURM or Run:ai) and use: +eight nodes with eight GPUs each, for a total of 64 GPUs, start a distributed compute +job (for example, using SLURM or Run:ai) and use: ```bash torchrun --nnodes=8 --nproc-per-node=8 train.py --config-name=train_interp.yaml diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index 62c0409465..658b579e19 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -53,7 +53,7 @@ def setup_datapipes( valid_subdir: str = "test", valid_start_year: int = 2017, valid_shuffle: bool = False, -) -> tuple[InterpClimateDatapipe, InterpClimateDatapipe]: +) -> tuple[InterpClimateDatapipe, InterpClimateDatapipe, int]: """ Setup datapipes for training. @@ -94,8 +94,8 @@ def setup_datapipes( Returns ------- - tuple of (InterpClimateDatapipe, InterpClimateDatapipe) - Tuple of training datapipe and validation datapipe. + tuple of (InterpClimateDatapipe, InterpClimateDatapipe, int) + Tuple of training datapipe and validation datapipe, and the number of auxiliary channels. """ if batch_size_valid is None: batch_size_valid = batch_size_train @@ -216,7 +216,7 @@ def setup_model( @torch.no_grad() def input_output_from_batch_data( batch: dict[str, torch.Tensor], time_scale: float = 6 * 3600.0 -) -> tuple[[tuple[torch.Tensor, torch.Tensor], torch.Tensor]]: +) -> tuple[tuple[torch.Tensor, torch.Tensor], torch.Tensor]: """ Convert the datapipe output dict to model input and output batches. From 547f10d42fd648309e9c3b3ebe1c5c0d45100521 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Wed, 22 Oct 2025 11:42:59 -0700 Subject: [PATCH 15/26] Update README.md --- examples/weather/temporal_interpolation/README.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index bd0ad0c853..4d57121aa5 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -16,12 +16,14 @@ interpolation is deterministic and trained with a latitude-weighted L2 loss. How can still be used to produce probabilistic forecasts, if used to interpolate results of probabilistic forecast models. More formally, the ModAFNO $f_{\theta}$ is a conditional expected-value model that approximates: + $$ f_{\theta} (x_{t}, x_{t+T}, \Delta t) \approx \mathbb{E} \left[ x_{t + \Delta t} | x_{t}, x_{t+T}, \Delta t \right] $$ + $0 \leq \Delta t \leq T$. In the pre-trained model, $T = 6$ hours and -$\Delta t \in {0, 1, 2, 3, 4, 5, 6}$ hours. +$\Delta t \in \{0, 1, 2, 3, 4, 5, 6\}$ hours. For access to the pre-trained model, refer to the [wrapper in Earth2Studio](https://nvidia.github.io/earth2studio/modules/generated/models/px/earth2studio.models.px.InterpModAFNO.html#earth2studio.models.px.InterpModAFNO). From 59125551b1349fe562d9092066860aba21a696f3 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Thu, 23 Oct 2025 09:42:03 -0700 Subject: [PATCH 16/26] Draft of validation script --- .../weather/temporal_interpolation/README.md | 3 +- .../config/train_interp.yaml | 7 +- .../config/train_interp_lite.yaml | 7 +- .../{ => data}/data.json | 0 .../datapipe/climate_interp.py | 3 - .../weather/temporal_interpolation/train.py | 100 +++++- .../temporal_interpolation/utils/trainer.py | 87 +---- .../temporal_interpolation/validate.py | 328 ++++++++++++++++++ 8 files changed, 435 insertions(+), 100 deletions(-) rename examples/weather/temporal_interpolation/{ => data}/data.json (100%) create mode 100644 examples/weather/temporal_interpolation/validate.py diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 4d57121aa5..0ed69e88eb 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -69,7 +69,8 @@ To train a temporal interpolation model, ensure you have the following: containing a 1D array with length equal to the number of variables in the dataset, with each value giving the mean (for `global_means.npy`) or standard deviation (for `global_stds.npy`) of the corresponding variable. -* A JSON file with metadata about the contents of the HDF5 files. Refer to [data sample](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/data.json) +* A JSON file with metadata about the contents of the HDF5 files. Refer to the [data + sample](https://github.com/NVIDIA/physicsnemo/blob/main/examples/weather/temporal_interpolation/data/data.json) for an example describing the dataset used to train the original model. * Optional: NetCDF4 files containing the orography and land-sea mask for the grid contained in the data. These should contain a variable of the same shape as the data. diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index 56ac02f16b..632757339b 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -46,9 +46,10 @@ training: samples_per_epoch: 50000 # number of samples per "epoch" load_epoch: "latest" # int, null or "latest"; "latest" loads the most recent checkpoint in checkpoint_dir checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved - optimizer_params: - lr: 5e-4 # learning rate - betas: [0.9, 0.95] # beta parameters for Adam + +optimizer_params: + lr: 5e-4 # learning rate + betas: [0.9, 0.95] # beta parameters for Adam logging: mlflow: diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index 9f83ebebe7..e5b9e6dd09 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -50,9 +50,10 @@ training: samples_per_epoch: 50 # number of samples per "epoch" load_epoch: "latest" # int, null or "latest"; "latest" loads the most recent checkpoint in checkpoint_dir checkpoint_dir: "/checkpoints/fcinterp/" # location where checkpoints are saved - optimizer_params: - lr: 5e-4 # learning rate - betas: [0.9, 0.95] # beta parameters for Adam + +optimizer_params: + lr: 5e-4 # learning rate + betas: [0.9, 0.95] # beta parameters for Adam logging: mlflow: diff --git a/examples/weather/temporal_interpolation/data.json b/examples/weather/temporal_interpolation/data/data.json similarity index 100% rename from examples/weather/temporal_interpolation/data.json rename to examples/weather/temporal_interpolation/data/data.json diff --git a/examples/weather/temporal_interpolation/datapipe/climate_interp.py b/examples/weather/temporal_interpolation/datapipe/climate_interp.py index d1263112b9..e71433d12b 100644 --- a/examples/weather/temporal_interpolation/datapipe/climate_interp.py +++ b/examples/weather/temporal_interpolation/datapipe/climate_interp.py @@ -70,9 +70,6 @@ def __call__( # Shuffle before the next epoch starts if self.shuffle and sample_info.epoch_idx != self.last_epoch: - # All workers use the same rng seed so the resulting - # indices are the same across workers - # np.random.default_rng(seed=sample_info.epoch_idx).shuffle(self.indices) print("Shuffling indices") np.random.shuffle(self.indices) self.last_epoch = sample_info.epoch_idx diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index 658b579e19..d8e1311578 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -16,6 +16,8 @@ import os import datetime +from typing import Any +import warnings import hydra from omegaconf import OmegaConf @@ -36,6 +38,11 @@ from utils import distribute, loss from utils.trainer import Trainer +try: + from apex.optimizers import FusedAdam +except ImportError: + warnings.warn("Apex is not installed, defaulting to PyTorch optimizers.") + def setup_datapipes( *, @@ -182,6 +189,10 @@ def setup_model( Parameters ---------- + num_variables : int + Number of atmospheric variables in the model. + num_auxiliaries : int + Number of auxiliary input channels. model_cfg : dict or None, optional Model configuration dict. @@ -213,17 +224,70 @@ def setup_model( return model +def setup_optimizer( + model: torch.nn.Module, + max_epoch: int, + opt_cls: type[torch.optim.Optimizer] | None = None, + opt_params: dict | None = None, + scheduler_cls: type[torch.optim.lr_scheduler.LRScheduler] | None = None, + scheduler_params: dict[str, Any] | None = None, +) -> tuple[torch.optim.Optimizer, torch.optim.lr_scheduler.LRScheduler]: + """Setup optimizer. + + Parameters + ---------- + model : torch.nn.Module + Model that optimizer is applied to. + max_epoch : int + Maximum number of training epochs (used for scheduler setup). + opt_cls : type[torch.optim.Optimizer] or None, optional + Optimizer class. When None, will setup apex.optimizers.FusedAdam + if available, otherwise PyTorch Adam. + opt_params : dict or None, optional + Dict of parameters (e.g. learning rate) to pass to optimizer. + scheduler_cls : type[torch.optim.lr_scheduler.LRScheduler] or None, optional + Scheduler class. When None, will setup CosineAnnealingLR. + scheduler_params : dict[str, Any] or None, optional + Dict of parameters to pass to scheduler. + + Returns + ------- + tuple[torch.optim.Optimizer, torch.optim.lr_scheduler.LRScheduler] + The initialized optimizer and learning rate scheduler. + """ + + opt_kwargs = {"lr": 0.0005} + if opt_params is not None: + opt_kwargs.update(opt_params) + if opt_cls is None: + try: + opt_cls = FusedAdam + except NameError: # in case we don't have apex + opt_cls = torch.optim.Adam + + scheduler_kwargs = {} + if scheduler_cls is None: + scheduler_cls = torch.optim.lr_scheduler.CosineAnnealingLR + scheduler_kwargs["T_max"] = max_epoch + if scheduler_params is not None: + scheduler_kwargs.update(scheduler_params) + + optimizer = opt_cls(model.parameters(), **opt_kwargs) + scheduler = scheduler_cls(optimizer, **scheduler_kwargs) + return (optimizer, scheduler) + + @torch.no_grad() def input_output_from_batch_data( - batch: dict[str, torch.Tensor], time_scale: float = 6 * 3600.0 + batch: list[dict[str, torch.Tensor]], time_scale: float = 6 * 3600.0 ) -> tuple[tuple[torch.Tensor, torch.Tensor], torch.Tensor]: """ Convert the datapipe output dict to model input and output batches. Parameters ---------- - batch : dict[str, torch.Tensor] - The data dict returned by the datapipe. + batch : list[dict[str, torch.Tensor]] + The list data dicts returned by the datapipe. time_scale : float, optional Number of seconds between the interpolation endpoints (default 6 hours). @@ -235,16 +299,17 @@ def input_output_from_batch_data( batch = batch[0] # Concatenate all input variables to a single tensor atmos_vars = batch["state_seq-atmos"] - cos_zenith = batch["cos_zenith-atmos"].squeeze(dim=2) - sincos_latlon = batch["latlon"] - geop = batch["geopotential"] - lsm = batch["land_sea_mask"] - - atmos_vars_in = torch.cat( - [atmos_vars[:, 0], atmos_vars[:, 1], cos_zenith, sincos_latlon, geop, lsm], - dim=1, - ) + atmos_vars_in = [atmos_vars[:, 0], atmos_vars[:, 1]] + if "cos_zenith-atmos" in batch: + atmos_vars_in = atmos_vars_in + [batch["cos_zenith-atmos"].squeeze(dim=2)] + if "latlon" in batch: + atmos_vars_in = atmos_vars_in + [batch["latlon"]] + if "geopotential" in batch: + atmos_vars_in = atmos_vars_in + [batch["geopotential"]] + if "land_sea_mask" in batch: + atmos_vars_in = atmos_vars_in + [batch["land_sea_mask"]] + atmos_vars_in = torch.cat(atmos_vars_in, dim=1) atmos_vars_out = atmos_vars[:, 2] @@ -286,6 +351,15 @@ def setup_trainer(**cfg: dict) -> Trainer: ) (model, dist_manager) = distribute.distribute_model(model) + # Setup optimizer and learning rate scheduler + (optimizer, scheduler) = setup_optimizer( + model, + cfg["training"].get("max_epoch", 1), + opt_params=cfg.get("optimizer_params", {}), + scheduler_params=cfg.get("scheduler_params", {}), + ) + + # Initialize mlflow mlflow_cfg = cfg.get("logging", {}).get("mlflow", {}) if mlflow_cfg.pop("use_mlflow", False): initialize_mlflow(**mlflow_cfg) @@ -334,6 +408,8 @@ def setup_trainer(**cfg: dict) -> Trainer: train_datapipe=train_datapipe, valid_datapipe=valid_datapipe, input_output_from_batch_data=input_output_from_batch_data, + optimizer=optimizer, + scheduler=scheduler, use_wandb=use_wandb, **cfg["training"], ) diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index 0113beefb2..1874a3a954 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -16,7 +16,6 @@ from collections.abc import Callable, Sequence from typing import Any, Literal -import warnings import time import torch @@ -29,11 +28,6 @@ from physicsnemo.launch.logging import LaunchLogger, PythonLogger from physicsnemo.launch.utils import load_checkpoint, save_checkpoint -try: - from apex.optimizers import FusedAdam -except ImportError: - warnings.warn("Apex is not installed, defaulting to PyTorch optimizers.") - class Trainer: """Training loop. @@ -52,18 +46,13 @@ class Trainer: ClimateDatapipe providing validation data. samples_per_epoch : int Number of samples to draw from the datapipe per 'epoch'. + optimizer : torch.optim.Optimizer + Optimizer used for training. + scheduler : torch.optim.lr_scheduler.LRScheduler + Learning rate scheduler. input_output_from_batch_data : Callable, optional Function that converts datapipe outputs to training batches. If not provided, will try to use outputs as-is. - optimizer : type[torch.optim.Optimizer] or None, optional - Optimizer class used for training. When None, will setup - apex.optimizers.FusedAdam if available, otherwise PyTorch Adam. - optimizer_params : dict[str, Any] or None, optional - Dict of parameters (e.g. learning rate) to pass to optimizer. - scheduler : type[torch.optim.lr_scheduler.LRScheduler] or None, optional - Learning rate scheduler class. When None, will setup CosineAnnealingLR. - scheduler_params : dict[str, Any] or None, optional - Dict of parameters to pass to LR scheduler. max_epoch : int, optional The last training epoch. load_epoch : int, "latest", or None, optional @@ -90,11 +79,9 @@ def __init__( train_datapipe: ClimateDatapipe, valid_datapipe: ClimateDatapipe, samples_per_epoch: int, + optimizer: torch.optim.Optimizer, + scheduler: torch.optim.lr_scheduler.LRScheduler, input_output_from_batch_data: Callable = lambda x: x, - optimizer: type[torch.optim.Optimizer] | None = None, - optimizer_params: dict[str, Any] | None = None, - scheduler: type[torch.optim.lr_scheduler.LRScheduler] | None = None, - scheduler_params: dict[str, Any] | None = None, max_epoch: int = 1, load_epoch: int | Literal["latest"] | None = "latest", checkpoint_every: int = 1, @@ -110,13 +97,8 @@ def __init__( self.valid_datapipe = valid_datapipe self.max_epoch = max_epoch self.input_output_from_batch_data = input_output_from_batch_data - self.optimizer, self.lr_scheduler = self.setup_optimizer( - model, - opt_cls=optimizer, - opt_params=optimizer_params, - scheduler_cls=scheduler, - scheduler_params=scheduler_params, - ) + self.optimizer = optimizer + self.lr_scheduler = scheduler self.validation_callbacks = validation_callbacks self.device = self.dist_manager.device self.logger = PythonLogger() @@ -309,57 +291,6 @@ def validate_on_epoch(self) -> torch.Tensor: model.train() return loss_epoch / num_examples - def setup_optimizer( - self, - model: torch.nn.Module, - opt_cls: type[torch.optim.Optimizer] | None = None, - opt_params: dict | None = None, - scheduler_cls: type[torch.optim.lr_scheduler.LRScheduler] | None = None, - scheduler_params: dict[str, Any] | None = None, - ) -> tuple[torch.optim.Optimizer, torch.optim.lr_scheduler.LRScheduler]: - """Setup optimizer. - - Parameters - ---------- - model : torch.nn.Module - Model that optimizer is applied to. - opt_cls : type[torch.optim.Optimizer] or None, optional - Optimizer class. When None, will setup apex.optimizers.FusedAdam - if available, otherwise PyTorch Adam. - opt_params : dict or None, optional - Dict of parameters (e.g. learning rate) to pass to optimizer. - scheduler_cls : type[torch.optim.lr_scheduler.LRScheduler] or None, optional - Scheduler class. When None, will setup CosineAnnealingLR. - scheduler_params : dict[str, Any] or None, optional - Dict of parameters to pass to scheduler. - - Returns - ------- - tuple[torch.optim.Optimizer, torch.optim.lr_scheduler.LRScheduler] - The initialized optimizer and learning rate scheduler. - """ - - opt_kwargs = {"lr": 0.0005} - if opt_params is not None: - opt_kwargs.update(opt_params) - - if opt_cls is None: - try: - opt_cls = FusedAdam - except NameError: # in case we don't have apex - opt_cls = torch.optim.Adam - - scheduler_kwargs = {} - if scheduler_cls is None: - scheduler_cls = torch.optim.lr_scheduler.CosineAnnealingLR - scheduler_kwargs["T_max"] = self.max_epoch - if scheduler_params is not None: - scheduler_kwargs.update(scheduler_params) - - optimizer = opt_cls(model.parameters(), **opt_kwargs) - scheduler = scheduler_cls(optimizer, **scheduler_kwargs) - return (optimizer, scheduler) - def load_checkpoint(self, epoch: int | None = None) -> int: """Try to load model state from a checkpoint. @@ -377,7 +308,7 @@ def load_checkpoint(self, epoch: int | None = None) -> int: """ if self.checkpoint_dir is None: raise ValueError("checkpoint_dir must be set in order to load checkpoints.") - metadata = {"total_samples_trained": self.total_samples_trained} + metadata = {} self.epoch = load_checkpoint( self.checkpoint_dir, models=self.model, diff --git a/examples/weather/temporal_interpolation/validate.py b/examples/weather/temporal_interpolation/validate.py new file mode 100644 index 0000000000..d83651b860 --- /dev/null +++ b/examples/weather/temporal_interpolation/validate.py @@ -0,0 +1,328 @@ +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: All rights reserved. +# SPDX-License-Identifier: Apache-2.0 +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from datetime import datetime, timedelta +from typing import Generator, Literal + +import hydra +from omegaconf import DictConfig, OmegaConf +import numpy as np +import torch +import xarray as xr + +from train_interp import setup_trainer, Trainer + + +def setup_analysis( + cfg: dict, checkpoint: str | None = None, shuffle: bool = False +) -> Trainer: + """Setup trainer for validation analysis. + + Parameters + ---------- + cfg : dict + Configuration dictionary. + checkpoint : str or None, optional + Path to model checkpoint file. + shuffle : bool, optional + Whether to shuffle validation data. + + Returns + ------- + Trainer + Configured trainer instance. + """ + cfg["datapipe"]["num_samples_per_year_valid"] = cfg["datapipe"][ + "num_samples_per_year_train" + ] + cfg["datapipe"]["batch_size_valid"] = 1 + cfg["datapipe"]["valid_shuffle"] = shuffle + + trainer = setup_trainer(**cfg) + if checkpoint is not None: + trainer.model.load(checkpoint) + + return trainer + + +@torch.no_grad() +def inference_model( + trainer: Trainer, + timesteps: int = 6, + denorm: bool = True, + method: Literal["fcinterp", "linear"] = "fcinterp", +) -> Generator[tuple[torch.Tensor, torch.Tensor], None, None]: + """Run inference on validation data. + + Parameters + ---------- + trainer : Trainer + Trainer instance containing model and datapipe. + timesteps : int, optional + Number of timesteps between interpolation endpoints. + denorm : bool, optional + Whether to denormalize outputs. + method : {"fcinterp", "linear"}, optional + Interpolation method to use. + + Yields + ------ + tuple[torch.Tensor, torch.Tensor] + True and predicted values for each batch. + """ + for batch in trainer.valid_datapipe: + y_true_step = [] + y_pred_step = [] + for step in range(timesteps + 1): + (invar, outvar_true) = input_output_from_batch_data_analysis(batch, step) + invar = tuple(v.detach() for v in invar) + outvar_true = outvar_true.detach() + y_true_step.append(outvar_true) + if method == "fcinterp": + y_pred_step.append(trainer.eval_step(invar)) + elif method == "linear": + y_pred_step.append(linear_interp_batch_data(batch, step)) + + y_true = torch.stack(y_true_step, dim=1) + y_pred = torch.stack(y_pred_step, dim=1) + if denorm: + y_true = denormalize(trainer, y_true) + y_pred = denormalize(trainer, y_pred) + + yield (y_true, y_pred) + + +@torch.no_grad() +def input_output_from_batch_data_analysis( + batch: list[dict[str, torch.Tensor]], step: int, time_scale: float = 6 * 3600.0 +) -> tuple[tuple[torch.Tensor, torch.Tensor], torch.Tensor]: + """Convert batch data to model inputs and outputs for a specific timestep. + + Parameters + ---------- + batch : list[dict[str, torch.Tensor]] + Batch dictionary from datapipe. + step : int + Timestep index for output. + time_scale : float, optional + Length of the interpolation interval in seconds. + + Returns + ------- + tuple[tuple[torch.Tensor, torch.Tensor], torch.Tensor] + Model inputs (atmospheric variables, time) and ground truth output. + """ + batch = batch[0] + + # concatenate all input variables to a single tensor + atmos_vars = batch["state_seq-atmos"] + + atmos_vars_in = [atmos_vars[:, 0], atmos_vars[:, -1]] + if "cos_zenith-atmos" in batch: + atmos_vars_in = atmos_vars_in + [batch["cos_zenith-atmos"].squeeze(dim=2)] + if "latlon" in batch: + atmos_vars_in = atmos_vars_in + [batch["latlon"]] + if "geopotential" in batch: + atmos_vars_in = atmos_vars_in + [batch["geopotential"]] + if "land_sea_mask" in batch: + atmos_vars_in = atmos_vars_in + [batch["land_sea_mask"]] + atmos_vars_in = torch.cat(atmos_vars_in, dim=1) + + atmos_vars_out = atmos_vars[:, step] + + time = batch["timestamps-atmos"] + # normalize time coordinate + time = (time[:, step : step + 1] - time[:, :1]).to(dtype=torch.float32) / time_scale + + return ((atmos_vars_in, time), atmos_vars_out) + + +def linear_interp_batch_data(batch: dict[str, torch.Tensor], step: int) -> torch.Tensor: + """Perform linear interpolation on batch data. + + Parameters + ---------- + batch : dict[str, torch.Tensor] + Batch dictionary from datapipe. + step : int + Timestep index for interpolation. + + Returns + ------- + torch.Tensor + Linearly interpolated atmospheric variables. + """ + atmos_vars = batch[0]["state_seq-atmos"] + x0 = atmos_vars[:, 0] + x1 = atmos_vars[:, -1] + alpha = step / (atmos_vars.shape[1] - 1) + return (1 - alpha) * x0 + alpha * x1 + + +def denormalize(trainer: Trainer, y: torch.Tensor) -> torch.Tensor: + """Denormalize predictions using dataset statistics. + + Parameters + ---------- + trainer : Trainer + Trainer instance containing datapipe with statistics. + y : torch.Tensor + Normalized tensor to denormalize. + + Returns + ------- + torch.Tensor + Denormalized tensor. + """ + mean = torch.Tensor(trainer.valid_datapipe.sources[0].mu).to(device=y.device)[ + :, None, ... + ] + std = torch.Tensor(trainer.valid_datapipe.sources[0].sd).to(device=y.device)[ + :, None, ... + ] + return y * std + mean + + +def error_by_time( + cfg: dict, + checkpoint: str | None = None, + timesteps: int = 6, + method: Literal["fcinterp", "linear"] = "fcinterp", + max_error: float = 1.0, + nbins: int = 10000, + n_samples: int = 1000, +) -> tuple[list[torch.Tensor], torch.Tensor]: + """Compute error statistics for each interpolation step. + + Parameters + ---------- + cfg : dict + The configuration dict passed from hydra. + checkpoint : str or None, optional + Path to model checkpoint file. + timesteps : int, optional + Number of timesteps between interpolation endpoints. + method : {"fcinterp", "linear"}, optional + Interpolation method to use. + max_error : float, optional + Maximum error value for histogram bins. + nbins : int, optional + Number of histogram bins. + n_samples : int, optional + Number of samples to process. + + Returns + ------- + tuple[list[torch.Tensor], torch.Tensor] + Histogram counts for each timestep and bin edges. + """ + trainer = setup_analysis(cfg=cfg, checkpoint=checkpoint, shuffle=True) + + lat = torch.linspace(90, -90, 721)[:-1].to(device=trainer.model.device) + lat[0] = 0.5 * (lat[0] + lat[1]) + cos_lat = torch.cos(lat * (torch.pi / 180))[None, None, :, None] + + bins = torch.linspace(0, max_error, nbins + 1) + + def _hist(y_true, y_pred): + err = (y_true - y_pred) ** 2 + weights = torch.ones_like(err) * cos_lat + return torch.histogram( + err.ravel().cpu(), bins=bins, weight=weights.ravel().cpu() + )[0] + + hist_counts = [None] * (timesteps + 1) + + for i_sample, (y_true, y_pred) in enumerate( + inference_model(trainer, timesteps=timesteps, denorm=False, method=method) + ): + if i_sample % 100 == 0: + print(f"{i_sample}/{n_samples}") + + for step in range(timesteps + 1): + hist_counts_step = _hist(y_true[:, step, ...], y_pred[:, step, ...]) + if hist_counts[step] is None: + hist_counts[step] = hist_counts_step + else: + hist_counts[step] += hist_counts_step + + if i_sample >= n_samples: # len(trainer.valid_datapipe): + break + + return (hist_counts, bins) + + +def save_histogram( + hist_counts: list[torch.Tensor], bins: torch.Tensor, output_path: str +) -> None: + """Save histogram data to netCDF4 file. + + Parameters + ---------- + hist_counts : list[torch.Tensor] + List of histogram counts for each timestep. + bins : torch.Tensor + Bin edges for the histogram. + output_path : str + Path to output netCDF4 file. + """ + # Convert torch tensors to numpy + hist_counts_np = np.stack([h.cpu().numpy() for h in hist_counts], axis=0) + bins_np = bins.cpu().numpy() + + # Compute bin centers from edges + bin_centers = (bins_np[:-1] + bins_np[1:]) / 2 + + # Create xarray Dataset + ds = xr.Dataset( + { + "hist_counts": (["timestep", "bin"], hist_counts_np), + "bin_edges": (["bin_edge"], bins_np), + }, + coords={ + "timestep": np.arange(len(hist_counts)), + "bin": bin_centers, + "bin_edge": bins_np, + }, + attrs={ + "description": "Histogram of squared errors for temporal interpolation", + "created": datetime.now().isoformat(), + }, + ) + + # Save to netCDF4 + ds.to_netcdf(output_path, format="NETCDF4") + print(f"Histogram saved to {output_path}") + + +@hydra.main(version_base=None, config_path="config") +def main(cfg: DictConfig): + """Main entry point for validation and error analysis. + + Parameters + ---------- + cfg : DictConfig + Hydra configuration object. + """ + cfg = OmegaConf.to_container(cfg) + validation_cfg = cfg.pop("validation") + output_path = validation_cfg.pop("output_path") + (hist_counts, bins) = error_by_time(cfg, **validation_cfg) + save_histogram(hist_counts, bins, output_path) + + +if __name__ == "__main__": + main() From 2a6c06a934e5f41848bc0f0a460a3d6d229e5f86 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Mon, 27 Oct 2025 08:40:28 -0700 Subject: [PATCH 17/26] Update validation and README --- .../weather/temporal_interpolation/README.md | 16 +++ .../temporal_interpolation/validate.py | 124 +++++++----------- 2 files changed, 61 insertions(+), 79 deletions(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 0ed69e88eb..40ca84d1c0 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -120,3 +120,19 @@ can use: ```bash torchrun --nnodes=8 --nproc-per-node=8 train.py --config-name=train_interp.yaml ++training.optimizer_params.lr=0.0001 ``` + +## Validation + +To evaluate checkpoints, you can use the `validate.py` script. The script computes a +histogram of squared errors as a function of the interpolation step (+0 h to +6 h), +which can be used to produce a plot similar to Figure 3 of the paper. The validation +uses the same configuration files as training, with validation-specific options passed +through the `validation` configuration group. Refer to the docstring of `error_by_time` +in `validate.py` for the recognized options. + +For example, to run the validation of a model trained with `train_interp.yaml` and save +the resulting error histogram to `validation.nc`: + +```bash +python validate.py --config-name="train_interp ++validation.output_path=validation.nc +``` diff --git a/examples/weather/temporal_interpolation/validate.py b/examples/weather/temporal_interpolation/validate.py index d83651b860..5f858402ba 100644 --- a/examples/weather/temporal_interpolation/validate.py +++ b/examples/weather/temporal_interpolation/validate.py @@ -23,13 +23,14 @@ import torch import xarray as xr -from train_interp import setup_trainer, Trainer +from train import input_output_from_batch_data, setup_trainer, Trainer def setup_analysis( cfg: dict, checkpoint: str | None = None, shuffle: bool = False ) -> Trainer: - """Setup trainer for validation analysis. + """ + Setup trainer for validation analysis. Parameters ---------- @@ -64,8 +65,9 @@ def inference_model( timesteps: int = 6, denorm: bool = True, method: Literal["fcinterp", "linear"] = "fcinterp", -) -> Generator[tuple[torch.Tensor, torch.Tensor], None, None]: - """Run inference on validation data. +) -> Generator[tuple[torch.Tensor, torch.Tensor, int], None, None]: + """ + Run inference on validation data. Parameters ---------- @@ -80,21 +82,21 @@ def inference_model( Yields ------ - tuple[torch.Tensor, torch.Tensor] - True and predicted values for each batch. + tuple[torch.Tensor, torch.Tensor, int] + True values, predicted values, and timestep index for each batch. """ for batch in trainer.valid_datapipe: y_true_step = [] y_pred_step = [] - for step in range(timesteps + 1): - (invar, outvar_true) = input_output_from_batch_data_analysis(batch, step) - invar = tuple(v.detach() for v in invar) - outvar_true = outvar_true.detach() - y_true_step.append(outvar_true) - if method == "fcinterp": - y_pred_step.append(trainer.eval_step(invar)) - elif method == "linear": - y_pred_step.append(linear_interp_batch_data(batch, step)) + (invar, outvar_true) = input_output_from_batch_data(batch) + invar = tuple(v.detach() for v in invar) + outvar_true = outvar_true.detach() + y_true_step.append(outvar_true) + step = int(round(invar[1].item() * timesteps)) + if method == "fcinterp": + y_pred_step.append(trainer.eval_step(invar)) + elif method == "linear": + y_pred_step.append(linear_interp_batch_data(batch, step)) y_true = torch.stack(y_true_step, dim=1) y_pred = torch.stack(y_pred_step, dim=1) @@ -102,61 +104,19 @@ def inference_model( y_true = denormalize(trainer, y_true) y_pred = denormalize(trainer, y_pred) - yield (y_true, y_pred) - + yield (y_true, y_pred, step) -@torch.no_grad() -def input_output_from_batch_data_analysis( - batch: list[dict[str, torch.Tensor]], step: int, time_scale: float = 6 * 3600.0 -) -> tuple[tuple[torch.Tensor, torch.Tensor], torch.Tensor]: - """Convert batch data to model inputs and outputs for a specific timestep. - - Parameters - ---------- - batch : list[dict[str, torch.Tensor]] - Batch dictionary from datapipe. - step : int - Timestep index for output. - time_scale : float, optional - Length of the interpolation interval in seconds. - Returns - ------- - tuple[tuple[torch.Tensor, torch.Tensor], torch.Tensor] - Model inputs (atmospheric variables, time) and ground truth output. +def linear_interp_batch_data( + batch: list[dict[str, torch.Tensor]], step: int +) -> torch.Tensor: """ - batch = batch[0] - - # concatenate all input variables to a single tensor - atmos_vars = batch["state_seq-atmos"] - - atmos_vars_in = [atmos_vars[:, 0], atmos_vars[:, -1]] - if "cos_zenith-atmos" in batch: - atmos_vars_in = atmos_vars_in + [batch["cos_zenith-atmos"].squeeze(dim=2)] - if "latlon" in batch: - atmos_vars_in = atmos_vars_in + [batch["latlon"]] - if "geopotential" in batch: - atmos_vars_in = atmos_vars_in + [batch["geopotential"]] - if "land_sea_mask" in batch: - atmos_vars_in = atmos_vars_in + [batch["land_sea_mask"]] - atmos_vars_in = torch.cat(atmos_vars_in, dim=1) - - atmos_vars_out = atmos_vars[:, step] - - time = batch["timestamps-atmos"] - # normalize time coordinate - time = (time[:, step : step + 1] - time[:, :1]).to(dtype=torch.float32) / time_scale - - return ((atmos_vars_in, time), atmos_vars_out) - - -def linear_interp_batch_data(batch: dict[str, torch.Tensor], step: int) -> torch.Tensor: - """Perform linear interpolation on batch data. + Perform linear interpolation on batch data. Parameters ---------- - batch : dict[str, torch.Tensor] - Batch dictionary from datapipe. + batch : list[dict[str, torch.Tensor]] + Batch data from datapipe (list containing a dictionary). step : int Timestep index for interpolation. @@ -173,7 +133,8 @@ def linear_interp_batch_data(batch: dict[str, torch.Tensor], step: int) -> torch def denormalize(trainer: Trainer, y: torch.Tensor) -> torch.Tensor: - """Denormalize predictions using dataset statistics. + """ + Denormalize predictions using dataset statistics. Parameters ---------- @@ -205,7 +166,12 @@ def error_by_time( nbins: int = 10000, n_samples: int = 1000, ) -> tuple[list[torch.Tensor], torch.Tensor]: - """Compute error statistics for each interpolation step. + """ + Compute error statistics for each interpolation step. The error + is computed as the squared difference of the prediction and truth + and is area-weighted (i.e. multiplied by the cosine of the latitude). + It is calculated on the values normalized to zero mean and unit variance, + so that errors of all variables are comparable. Parameters ---------- @@ -229,7 +195,7 @@ def error_by_time( tuple[list[torch.Tensor], torch.Tensor] Histogram counts for each timestep and bin edges. """ - trainer = setup_analysis(cfg=cfg, checkpoint=checkpoint, shuffle=True) + trainer = setup_analysis(cfg=cfg, checkpoint=checkpoint) lat = torch.linspace(90, -90, 721)[:-1].to(device=trainer.model.device) lat[0] = 0.5 * (lat[0] + lat[1]) @@ -237,29 +203,27 @@ def error_by_time( bins = torch.linspace(0, max_error, nbins + 1) - def _hist(y_true, y_pred): + def _hist(y_true: torch.Tensor, y_pred: torch.Tensor) -> torch.Tensor: err = (y_true - y_pred) ** 2 weights = torch.ones_like(err) * cos_lat return torch.histogram( err.ravel().cpu(), bins=bins, weight=weights.ravel().cpu() )[0] - hist_counts = [None] * (timesteps + 1) + hist_counts = [ + torch.zeros(nbins, dtype=torch.float64) for _ in range(timesteps + 1) + ] - for i_sample, (y_true, y_pred) in enumerate( + for i_sample, (y_true, y_pred, step) in enumerate( inference_model(trainer, timesteps=timesteps, denorm=False, method=method) ): if i_sample % 100 == 0: print(f"{i_sample}/{n_samples}") - for step in range(timesteps + 1): - hist_counts_step = _hist(y_true[:, step, ...], y_pred[:, step, ...]) - if hist_counts[step] is None: - hist_counts[step] = hist_counts_step - else: - hist_counts[step] += hist_counts_step + hist_counts_step = _hist(y_true[:, -1, ...], y_pred[:, -1, ...]) + hist_counts[step] += hist_counts_step - if i_sample >= n_samples: # len(trainer.valid_datapipe): + if i_sample + 1 >= n_samples: break return (hist_counts, bins) @@ -268,7 +232,8 @@ def _hist(y_true, y_pred): def save_histogram( hist_counts: list[torch.Tensor], bins: torch.Tensor, output_path: str ) -> None: - """Save histogram data to netCDF4 file. + """ + Save histogram data to netCDF4 file. Parameters ---------- @@ -310,7 +275,8 @@ def save_histogram( @hydra.main(version_base=None, config_path="config") def main(cfg: DictConfig): - """Main entry point for validation and error analysis. + """ + Run validation for interpolation error as a function of step. Parameters ---------- From 551486ec6f70b03ad886214fa46c872e73148fc4 Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 16:32:52 -0700 Subject: [PATCH 18/26] Fixed command in README.md for temporal_interpolation example Signed-off-by: Charlelie Laurent --- examples/weather/temporal_interpolation/README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/weather/temporal_interpolation/README.md b/examples/weather/temporal_interpolation/README.md index 40ca84d1c0..56080b1cd4 100644 --- a/examples/weather/temporal_interpolation/README.md +++ b/examples/weather/temporal_interpolation/README.md @@ -134,5 +134,5 @@ For example, to run the validation of a model trained with `train_interp.yaml` a the resulting error histogram to `validation.nc`: ```bash -python validate.py --config-name="train_interp ++validation.output_path=validation.nc +python validate.py --config-name="train_interp" ++validation.output_path=validation.nc ``` From d0d2214490d266f6a9359ed81080b75e8b657d18 Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 17:16:09 -0700 Subject: [PATCH 19/26] Removed unused import in datapipe/climate_interp.py Signed-off-by: Charlelie Laurent --- .../weather/temporal_interpolation/datapipe/climate_interp.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/examples/weather/temporal_interpolation/datapipe/climate_interp.py b/examples/weather/temporal_interpolation/datapipe/climate_interp.py index e71433d12b..635ef2ea25 100644 --- a/examples/weather/temporal_interpolation/datapipe/climate_interp.py +++ b/examples/weather/temporal_interpolation/datapipe/climate_interp.py @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # @@ -19,7 +19,6 @@ import numpy as np import nvidia.dali as dali -from torch import Tensor from physicsnemo.datapipes.climate.climate import ( ClimateDatapipe, From 2792ae666061cf623af82b99a09ff5ecc182fd6d Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 17:18:02 -0700 Subject: [PATCH 20/26] Updated license headers in temporal_interpolation example Signed-off-by: Charlelie Laurent --- .../weather/temporal_interpolation/config/train_interp.yaml | 2 +- .../temporal_interpolation/config/train_interp_lite.yaml | 2 +- examples/weather/temporal_interpolation/train.py | 2 +- examples/weather/temporal_interpolation/utils/distribute.py | 2 +- examples/weather/temporal_interpolation/utils/loss.py | 2 +- examples/weather/temporal_interpolation/utils/trainer.py | 2 +- examples/weather/temporal_interpolation/validate.py | 2 +- 7 files changed, 7 insertions(+), 7 deletions(-) diff --git a/examples/weather/temporal_interpolation/config/train_interp.yaml b/examples/weather/temporal_interpolation/config/train_interp.yaml index 632757339b..54df9c9ee4 100644 --- a/examples/weather/temporal_interpolation/config/train_interp.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp.yaml @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # diff --git a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml index e5b9e6dd09..bb4a210993 100644 --- a/examples/weather/temporal_interpolation/config/train_interp_lite.yaml +++ b/examples/weather/temporal_interpolation/config/train_interp_lite.yaml @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index d8e1311578..f94bfa4e18 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # diff --git a/examples/weather/temporal_interpolation/utils/distribute.py b/examples/weather/temporal_interpolation/utils/distribute.py index 0497c76c2c..c409b9008e 100644 --- a/examples/weather/temporal_interpolation/utils/distribute.py +++ b/examples/weather/temporal_interpolation/utils/distribute.py @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # diff --git a/examples/weather/temporal_interpolation/utils/loss.py b/examples/weather/temporal_interpolation/utils/loss.py index aca592347c..ffe17474cf 100644 --- a/examples/weather/temporal_interpolation/utils/loss.py +++ b/examples/weather/temporal_interpolation/utils/loss.py @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index 1874a3a954..9d74a4c9b6 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # diff --git a/examples/weather/temporal_interpolation/validate.py b/examples/weather/temporal_interpolation/validate.py index 5f858402ba..bc1059241d 100644 --- a/examples/weather/temporal_interpolation/validate.py +++ b/examples/weather/temporal_interpolation/validate.py @@ -1,4 +1,4 @@ -# SPDX-FileCopyrightText: Copyright (c) 2023 - 2024 NVIDIA CORPORATION & AFFILIATES. +# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # From f600d13fd6d7743fe2edcd522d57de583cad05cf Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 17:36:50 -0700 Subject: [PATCH 21/26] Renamed methods to avoid implicit shadowing in Trainer class Signed-off-by: Charlelie Laurent --- examples/weather/temporal_interpolation/utils/trainer.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/examples/weather/temporal_interpolation/utils/trainer.py b/examples/weather/temporal_interpolation/utils/trainer.py index 9d74a4c9b6..4558589397 100644 --- a/examples/weather/temporal_interpolation/utils/trainer.py +++ b/examples/weather/temporal_interpolation/utils/trainer.py @@ -120,17 +120,17 @@ def __init__( optim=self.optimizer, logger=self.logger, use_graphs=False, # use_graphs=True seems crash prone - )(self.train_step_forward) + )(self._train_step_forward) self.eval_step = StaticCaptureEvaluateNoGrad( model=self.model, logger=self.logger, use_graphs=False - )(self.eval_step) + )(self._eval_step) self.local_batches_per_epoch = samples_per_epoch // ( train_datapipe.world_size * train_datapipe.batch_size ) - def eval_step(self, invar: tuple) -> torch.Tensor: + def _eval_step(self, invar: tuple) -> torch.Tensor: """Evaluate model for one step. Parameters @@ -145,7 +145,7 @@ def eval_step(self, invar: tuple) -> torch.Tensor: """ return self.model(*invar) - def train_step_forward( + def _train_step_forward( self, invar: tuple, outvar_true: torch.Tensor ) -> torch.Tensor: """Training step. From f1fd540cd0aa7f539d4be626035799b539aa53d0 Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 17:52:14 -0700 Subject: [PATCH 22/26] Cosmetic changes in train.py and removed unused import in validate.py Signed-off-by: Charlelie Laurent --- examples/weather/temporal_interpolation/train.py | 8 ++++---- examples/weather/temporal_interpolation/validate.py | 1 - 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index f94bfa4e18..dcc94ed069 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -16,7 +16,7 @@ import os import datetime -from typing import Any +from typing import Any, Dict import warnings import hydra @@ -112,7 +112,7 @@ def setup_datapipes( mean_file = os.path.join(data_dir, "stats/global_means.npy") std_file = os.path.join(data_dir, "stats/global_stds.npy") - spec_kwargs = dict( + spec_kwargs: Dict[str, Any] = dict( stats_files={"mean": mean_file, "std": std_file}, use_cos_zenith=True, name="atmos", @@ -124,7 +124,7 @@ def setup_datapipes( spec_valid = ClimateDataSourceSpec(data_dir=valid_dir, **spec_kwargs) invariants = {} - num_aux_channels = 3 # 3 channels for cos_zenith + num_aux_channels = 3 # 3 channels for cos_zenith if use_latlon: invariants["latlon"] = invariant.LatLon() num_aux_channels += 4 @@ -144,7 +144,7 @@ def setup_datapipes( ) if num_samples_per_year_train is None: - num_samples_per_year_train = 365 * 24 - 12 # -12 to prevent overflow + num_samples_per_year_train = 365 * 24 - 12 # -12 to prevent overflow pipe_train = InterpClimateDatapipe( [spec_train], diff --git a/examples/weather/temporal_interpolation/validate.py b/examples/weather/temporal_interpolation/validate.py index bc1059241d..e4f7260210 100644 --- a/examples/weather/temporal_interpolation/validate.py +++ b/examples/weather/temporal_interpolation/validate.py @@ -14,7 +14,6 @@ # See the License for the specific language governing permissions and # limitations under the License. -from datetime import datetime, timedelta from typing import Generator, Literal import hydra From 2b8de5c064c1a7ddbe1fefabd573eb263a91b1c9 Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 18:18:03 -0700 Subject: [PATCH 23/26] Added clamp in validate.py to make sure step does not go out of bounds Signed-off-by: Charlelie Laurent --- examples/weather/temporal_interpolation/validate.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/weather/temporal_interpolation/validate.py b/examples/weather/temporal_interpolation/validate.py index e4f7260210..695ecedb8c 100644 --- a/examples/weather/temporal_interpolation/validate.py +++ b/examples/weather/temporal_interpolation/validate.py @@ -91,7 +91,7 @@ def inference_model( invar = tuple(v.detach() for v in invar) outvar_true = outvar_true.detach() y_true_step.append(outvar_true) - step = int(round(invar[1].item() * timesteps)) + step = min(int(round(invar[1].item() * timesteps)), timesteps) if method == "fcinterp": y_pred_step.append(trainer.eval_step(invar)) elif method == "linear": From d719952bdf6e5703442343962798bc5f33d66e8c Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Thu, 30 Oct 2025 18:57:30 -0700 Subject: [PATCH 24/26] Added the temporal_interpolation example to the docs + updated CHANGELOG.md Signed-off-by: Charlelie Laurent --- CHANGELOG.md | 2 ++ docs/examples_weather.rst | 3 ++- examples/README.md | 1 + 3 files changed, 5 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 6044555ece..e4f493de58 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -31,6 +31,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 to compose and define an active learning workflow is provided in `examples/active_learning`. The `moons` example provides a minimal (pedagogical) composition that is meant to illustrate how to define the necessary parts of the workflow. +- Added a new example for temporal interpolation of weather forecasts using ModAFNO. + Accessible in `examples/weather/temporal_interpolation`. ### Changed diff --git a/docs/examples_weather.rst b/docs/examples_weather.rst index 7033b1e10d..1bd2c81ddf 100644 --- a/docs/examples_weather.rst +++ b/docs/examples_weather.rst @@ -16,4 +16,5 @@ Weather and climate modeling examples using PhysicsNeMo. examples/weather/diagnostic/README.rst examples/weather/unified_recipe/README.rst examples/weather/corrdiff/README.rst - examples/weather/stormcast/README.rst \ No newline at end of file + examples/weather/stormcast/README.rst + examples/weather/temporal_interpolation/README.rst \ No newline at end of file diff --git a/examples/README.md b/examples/README.md index 1cc794c380..a3e482afb1 100644 --- a/examples/README.md +++ b/examples/README.md @@ -70,6 +70,7 @@ The several examples inside PhysicsNeMo can be classified based on their domains |[Medium-range global weather forecast using Mixture of Experts](./weather/mixture_of_experts/)|MoE Model| |[Generative Data Assimilation of Sparse Weather Observations](./weather/regen/)|Denoising Diffusion Model| |[Flood Forecasting](./weather/flood_modeling/)|GNN + KAN| +|[Temporal Interpolation of Weather Forecasts](./weather/temporal_interpolation/)|ModAFNO| ### Structural Mechanics From 390d7788eeff5157c59eaf0267b76f8e04671f27 Mon Sep 17 00:00:00 2001 From: Jussi Leinonen Date: Thu, 13 Nov 2025 08:23:24 -0800 Subject: [PATCH 25/26] Addressing remaining comments --- examples/weather/temporal_interpolation/train.py | 2 +- examples/weather/temporal_interpolation/validate.py | 10 ++++++---- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/examples/weather/temporal_interpolation/train.py b/examples/weather/temporal_interpolation/train.py index dcc94ed069..6fd3cec703 100644 --- a/examples/weather/temporal_interpolation/train.py +++ b/examples/weather/temporal_interpolation/train.py @@ -212,7 +212,7 @@ def setup_model( model_cfg["in_channels"] = 2 * num_variables + num_auxiliaries if model_cfg.get("out_channels") is None: model_cfg["out_channels"] = num_variables - model_name = model_cfg.pop("model_name") + model_name = model_cfg.pop("model_name", None) model_kwargs = default_model_params[model_type].copy() model_kwargs.update(model_cfg) if model_type == "modafno": diff --git a/examples/weather/temporal_interpolation/validate.py b/examples/weather/temporal_interpolation/validate.py index 695ecedb8c..5f4722f219 100644 --- a/examples/weather/temporal_interpolation/validate.py +++ b/examples/weather/temporal_interpolation/validate.py @@ -196,13 +196,15 @@ def error_by_time( """ trainer = setup_analysis(cfg=cfg, checkpoint=checkpoint) - lat = torch.linspace(90, -90, 721)[:-1].to(device=trainer.model.device) - lat[0] = 0.5 * (lat[0] + lat[1]) - cos_lat = torch.cos(lat * (torch.pi / 180))[None, None, :, None] - bins = torch.linspace(0, max_error, nbins + 1) def _hist(y_true: torch.Tensor, y_pred: torch.Tensor) -> torch.Tensor: + lat = torch.linspace(90, -90, y_true.shape[-2])[:-1].to( + device=trainer.model.device + ) + lat[0] = 0.5 * (lat[0] + lat[1]) + cos_lat = torch.cos(lat * (torch.pi / 180))[None, None, :, None] + err = (y_true - y_pred) ** 2 weights = torch.ones_like(err) * cos_lat return torch.histogram( From e6477aabcaea5c7d2f1d104e108963cb42f34d6e Mon Sep 17 00:00:00 2001 From: Charlelie Laurent Date: Fri, 14 Nov 2025 17:42:24 -0800 Subject: [PATCH 26/26] Merged two data source classes in climate_interp.py Signed-off-by: Charlelie Laurent --- .../datapipe/climate_interp.py | 37 +++++-------------- 1 file changed, 10 insertions(+), 27 deletions(-) diff --git a/examples/weather/temporal_interpolation/datapipe/climate_interp.py b/examples/weather/temporal_interpolation/datapipe/climate_interp.py index 635ef2ea25..a300a6021e 100644 --- a/examples/weather/temporal_interpolation/datapipe/climate_interp.py +++ b/examples/weather/temporal_interpolation/datapipe/climate_interp.py @@ -22,23 +22,24 @@ from physicsnemo.datapipes.climate.climate import ( ClimateDatapipe, - ClimateDaliExternalSource, ClimateHDF5DaliExternalSource, ) -class InterpDaliExternalSource(ClimateDaliExternalSource): +class InterpHDF5DaliExternalSource(ClimateHDF5DaliExternalSource): """ - Data source specialized for interpolation training. + DALI source for reading HDF5 formatted climate data files. + + Specialized for interpolation training with HDF5 climate data. Parameters ---------- *args : tuple - Positional arguments passed to parent class. + Positional arguments passed to parent classes. all_steps : bool, optional Whether to return all steps in the sequence. Default is False. **kwargs : dict - Keyword arguments passed to parent class. + Keyword arguments passed to parent classes. """ def __init__(self, *args, all_steps: bool = False, **kwargs): @@ -104,26 +105,6 @@ def __call__( def __len__(self) -> int: return len(self.indices) // self.stride - -class InterpHDF5DaliExternalSource( - ClimateHDF5DaliExternalSource, InterpDaliExternalSource -): - """ - DALI source for reading HDF5 formatted climate data files. - - Specialized for interpolation training with HDF5 climate data. - - Parameters - ---------- - *args : tuple - Positional arguments passed to parent classes. - **kwargs : dict - Keyword arguments passed to parent classes. - """ - - def __init__(self, *args, **kwargs): - super().__init__(*args, **kwargs) - def _get_read_buffer(self, steps: list[int], data) -> np.ndarray: """Get memory buffer for reading data.""" shape = (len(steps), len(self.chans)) + data.shape[-2:] @@ -186,7 +167,9 @@ class InterpClimateDatapipe(ClimateDatapipe): Extends ClimateDatapipe to use interpolation source. """ - def _source_cls_from_type(self, source_type: str) -> type[InterpDaliExternalSource]: + def _source_cls_from_type( + self, source_type: str + ) -> type[InterpHDF5DaliExternalSource]: """ Get the external source class based on a string descriptor. @@ -197,7 +180,7 @@ def _source_cls_from_type(self, source_type: str) -> type[InterpDaliExternalSour Returns ------- - type[InterpDaliExternalSource] + type[InterpHDF5DaliExternalSource] The appropriate external source class for the given type. """ return {