Doc tuning parameters

scripts/README.md

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+# Scripts
+
+## Structure
+
+- `data_preparation.*`: Scripts for preparing the data for training, tuning and evaluation. Mainly converting large netCDF files to Zarr storage with specific chunking strategies. This allows executing training for larger-than-memory datasets.
+- `tuning.*`: Scripts for hyperparameter tuning.
+- `run_best_tuned_model.*`: Scripts for running the best tuned model on the test set.
+
+## Experiments
+
+### Tuning experiments
+
+- datasplit: train set = 2020, validation set = 2021, test set = 2022
+- path of tuning results: `/work/<account_id>/eso4clima/tune/`.
+- test loss: 0.036662004509047774
+- hyperparameters of the best model:
+  ```
+    {'patch_size': 8,
+    'overlap': 1,
+    'embed_dim': 64,
+    'dropout': 0.2,
+    'hidden': 32,
+    'spatial_depth': 3,
+    'spatial_heads': 2,
+    'optimizer_lr': 0.001787422899066508,
+    'batch_config': {'batch_size': 100, 'accumulation_steps': 2}}
+ ```

scripts/run_best_tuned_model.py

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+import argparse
+from pathlib import Path
+
+import xarray as xr
+from ray import tune
+
+from climanet.dataset import DataLoaderConfig, STDataset
+from climanet.predict import PredictionConfig, predict_monthly_var
+from climanet.utils import data_preparation, read_st_data
+
+
+def build_parser() -> argparse.ArgumentParser:
+    parser = argparse.ArgumentParser(
+        description=(
+            "Load the best Ray Tune checkpoint, prepare the test data, and evaluate the "
+            "trained model on the 2023 test period."
+        )
+    )
+    parser.add_argument(
+        "--experiment-path",
+        type=Path,
+        required=True,
+        help="Path to the Ray Tune experiment directory containing the checkpoint.",
+    )
+    parser.add_argument(
+        "--test-data-dir",
+        type=Path,
+        required=True,
+        help="Directory containing the test NetCDF files.",
+    )
+    parser.add_argument(
+        "--lsm-file-path",
+        type=Path,
+        required=True,
+        help="Path to the land-sea mask NetCDF file.",
+    )
+    parser.add_argument(
+        "--run-dir",
+        type=Path,
+        default=Path("./run_dir_tune_test").resolve(),
+        help="Directory used for the evaluation run and saved logs.",
+    )
+    parser.add_argument(
+        "--var-name",
+        type=str,
+        default="tos",
+        help="Variable name to evaluate in the NetCDF files.",
+    )
+    parser.add_argument(
+        "--year",
+        type=str,
+        default="2022",
+        help="Year pattern to include in the test files (e.g. 2022).",
+    )
+    return parser
+
+
+def main() -> None:
+    args = build_parser().parse_args()
+    experiment_path = args.experiment_path.resolve()
+    test_data_dir = args.test_data_dir.resolve()
+    lsm_file_path = args.lsm_file_path.resolve()
+    run_dir = args.run_dir.resolve()
+    run_dir.mkdir(parents=True, exist_ok=True)
+
+    if not experiment_path.exists():
+        raise FileNotFoundError(
+            f"Experiment directory does not exist: {experiment_path}"
+        )
+    if not test_data_dir.exists():
+        raise FileNotFoundError(f"Test data directory does not exist: {test_data_dir}")
+    if not lsm_file_path.exists():
+        raise FileNotFoundError(f"LSM file does not exist: {lsm_file_path}")
+
+    daily_files = list(
+        test_data_dir.glob(f"{args.year}*_hr_ERA5dc_masked_{args.var_name}*.nc")
+    )
+    monthly_files = list(
+        test_data_dir.glob(f"{args.year}*_mon_ERA5dc_masked_{args.var_name}*.nc")
+    )
+
+    if not daily_files:
+        raise FileNotFoundError(
+            f"No daily test files found for year '{args.year}' in '{test_data_dir}'"
+        )
+    if not monthly_files:
+        raise FileNotFoundError(
+            f"No monthly test files found for year '{args.year}' in '{test_data_dir}'"
+        )
+
+    print(f"Using daily files ({len(daily_files)}): {daily_files[:3]} ...")
+    print(f"Using monthly files ({len(monthly_files)}): {monthly_files[:3]} ...")
+
+    daily_data_test = xr.open_mfdataset(
+        daily_files, combine="by_coords", parallel=False
+    )
+    monthly_data_test = xr.open_mfdataset(
+        monthly_files, combine="by_coords", parallel=False
+    )
+
+    test_data_zarr_dir = run_dir / "test_data_zarr"
+    test_data_zarr_dir.mkdir(parents=True, exist_ok=True)
+
+    _ = data_preparation(
+        daily_data_test[args.var_name],
+        monthly_data_test[args.var_name],
+        calculate_residuals=True,
+        is_hourly=True,
+        save_to_zarr=True,
+        run_dir=test_data_zarr_dir,
+    )
+
+    input_da, input_da_nan_mask, monthly_da, padded_days_mask, time_features = (
+        read_st_data(
+            data_path=test_data_zarr_dir,
+            var_name=args.var_name,
+        )
+    )
+
+    lsm_mask = xr.open_dataset(lsm_file_path)
+
+    num_patches = (10, 10)
+    patch_size = (1, 4, 4)
+    spatial_patch_size = (
+        patch_size[1] * num_patches[0],
+        patch_size[2] * num_patches[1],
+    )
+    stride = (spatial_patch_size[0] // 5, spatial_patch_size[1] // 5)
+
+    dataset_test = STDataset(
+        input_da=input_da,
+        input_da_nan_mask=input_da_nan_mask,
+        monthly_da=monthly_da,
+        padded_days_mask=padded_days_mask,
+        time_features=time_features,
+        land_mask=lsm_mask["lsm"],
+        patch_size=(1, *spatial_patch_size),
+        stride=stride,
+        sh_embed_dim=96,
+        sh_order_L=10,
+        verbose=True,
+        load_lazy=False,
+    )
+    print(f"Created test dataset with {len(dataset_test)} patches.")
+
+    analysis = tune.ExperimentAnalysis(str(experiment_path))
+    best_result = analysis.get_best_trial("loss", "min")
+    best_checkpoint = best_result.checkpoint
+    model_path = Path(best_checkpoint.path) / "checkpoint.pt"
+    print(f"Best checkpoint path: {model_path}")
+
+    prediction_config = PredictionConfig(
+        calculate_residuals=True,
+        return_numpy=True,
+        save_predictions=False,
+        return_loss=True,
+        device="cpu",
+        verbose=False,
+    )
+
+    dataloader_config = DataLoaderConfig(
+        batch_size=10,
+        shuffle=True,
+        num_workers=0,
+        pin_memory=False,
+        persistent_workers=False,
+        device="cpu",
+        multiprocessing_context=None,
+    )
+
+    test_loss = predict_monthly_var(
+        model=model_path,
+        dataset=dataset_test,
+        dataloader_config=dataloader_config,
+        prediction_config=prediction_config,
+        run_dir=run_dir,
+    )
+
+    print("Test loss:")
+    print(test_loss)
+
+
+if __name__ == "__main__":
+    main()

scripts/run_best_tuned_model.slurm

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+#!/bin/bash
+#SBATCH --job-name=climanet_eval
+#SBATCH --nodes=1
+#SBATCH --ntasks-per-node=1
+#SBATCH --cpus-per-task=128
+#SBATCH --time=02:00:00
+#SBATCH --account=bd0854
+#SBATCH --partition=compute
+#SBATCH --output=climanet_eval_%j.out
+#SBATCH --error=climanet_eval_%j.err
+
+set -euo pipefail
+
+source /home/b/b383704/eso4clima/ClimaNet/.venv/bin/activate
+
+python -u /home/b/b383704/eso4clima/run_best_tuned_model/run_best_tuned_model.py \
+  --experiment-path /work/bd0854/eso4clima/tune/sst_01 \
+  --test-data-dir /work/bd0854/b380103/eso4clima/output/sst/concatenated/ \
+  --lsm-file-path /home/b/b383704/eso4clima/data/era5_lsm_bool.nc \
+  --run-dir /home/b/b383704/eso4clima/run_best_tuned_model/run_dir \
+  --var-name tos \
+  --year 2022
+
+printf "\nFinished evaluation run.\n"