diff --git a/experiments/car_cdf_dataset/dataset_tutorial.py b/experiments/car_cdf_dataset/dataset_tutorial.py new file mode 100644 index 0000000..d5a7157 --- /dev/null +++ b/experiments/car_cdf_dataset/dataset_tutorial.py @@ -0,0 +1,38 @@ +"""Script to read the Car CFD Dataset.""" + +from neuralop.data.datasets.car_cfd_dataset import CarCFDDataset + +dataset = CarCFDDataset( + root_dir="/mnt/c/Users/brian/cache/car_cfd_dataset/processed-car-pressure-data", + n_train=-1, + n_test=-1, + download=False, +) + +train_loader = dataset.train_loader( + batch_size=32, shuffle=True, pin_memory=True, num_workers=4, persistent_workers=True +) +test_loader = dataset.test_loader( + batch_size=32, + shuffle=False, + pin_memory=True, + num_workers=4, + persistent_workers=True, +) + +for batch in train_loader: + for key, value in batch.items(): + print(f"{key}: {value.shape}") + """ + vertices: torch.Size([32, 3586, 3]) + vertex_normals: torch.Size([32, 3586, 3]) + triangle_normals: torch.Size([32, 7168, 3]) + centroids: torch.Size([32, 7168, 3]) + triangle_areas: torch.Size([32, 7168]) + distance: torch.Size([32, 32, 32, 32, 1]) + closest_points: torch.Size([32, 32, 32, 32, 3]) + normalized_triangle_areas: torch.Size([32, 7168]) + press: torch.Size([32, 1, 3586]) + query_points: torch.Size([32, 32, 32, 32, 3]) + """ + break diff --git a/experiments/car_cdf_dataset/train.py b/experiments/car_cdf_dataset/train.py new file mode 100644 index 0000000..fd27d36 --- /dev/null +++ b/experiments/car_cdf_dataset/train.py @@ -0,0 +1,179 @@ +"""Script to read the Car CFD Dataset.""" + +import logging + +import mlflow +import torch +import torch.nn.functional as F +from neuralop.data.datasets.car_cfd_dataset import CarCFDDataset +from neuralop.models import GINO + +logger = logging.getLogger(__name__) + + +def count_parameters(model) -> int: + """Count the number of trainable parameters in a model. + + Args: + model: The model to count parameters for. + + Returns: + Number of trainable parameters. + """ + return sum(p.numel() for p in model.parameters() if p.requires_grad) + + +def process_batch(batch, device) -> tuple[dict, torch.Tensor]: + """Process batch to move to device and set input/output keys. + + Args: + batch: Batch from DataLoader. + device: Device to move data to. + + Returns: + input_dict: Dictionary of inputs for the model. + truth: Ground truth tensor. + """ + # Move data to device and prepare input/output + in_p = batch["vertices"].squeeze(0).to(device) + latent_queries = batch["query_points"].squeeze(0).to(device) + out_p = batch["vertices"].squeeze(0).to(device) + f = batch["distance"].to(device) + truth = batch["press"].squeeze(0).unsqueeze(-1) + + # Adjust output size if necessary + output_vertices = truth.shape[1] + if out_p.shape[0] > output_vertices: + out_p = out_p[:output_vertices, :] + truth = truth.to(device) + + # Prepare input dictionary + input_dict = dict( + input_geom=in_p, + latent_queries=latent_queries, + latent_features=f, + output_queries=out_p, + x=None, + ) + + return input_dict, truth + + +def main(): + """Main entry point.""" + device = torch.device("cuda" if torch.cuda.is_available() else "cpu") + + dataset = CarCFDDataset( + root_dir="/mnt/c/Users/brian/cache/car_cfd_dataset/processed-car-pressure-data", + n_train=-1, + n_test=-1, + download=False, + ) + + train_loader = dataset.train_loader( + batch_size=1, + shuffle=True, + pin_memory=True, + num_workers=4, + persistent_workers=True, + ) + test_loader = dataset.test_loader( + batch_size=1, + shuffle=False, + pin_memory=True, + num_workers=4, + persistent_workers=True, + ) + + model = GINO( + in_channels=3, + out_channels=1, + latent_feature_channels=1, + ).to(device) + + logger.info( + f"Model has {count_parameters(model) / 1e6:.2f} million trainable parameters." + ) + + optimizer = torch.optim.AdamW(model.parameters(), lr=1e-3, weight_decay=1e-4) + scheduler = torch.optim.lr_scheduler.ReduceLROnPlateau( + optimizer, mode="min", factor=0.5, patience=5 + ) + + num_epochs = 20 + mlflow.set_experiment("GINO-CarCFDDataset") + with mlflow.start_run(): + for epoch in range(num_epochs): + loss_train = 0.0 + model.train() + for batch in train_loader: + input_dict, output = process_batch(batch, device) + optimizer.zero_grad(set_to_none=True) + with torch.autocast(device_type=device.type, enabled=True): + pred = model(**input_dict) + loss = F.mse_loss(pred, output) + loss.backward() + optimizer.step() + loss_train += loss.item() + loss_train /= len(train_loader) + mlflow.log_metric("train_loss", value=loss_train, step=epoch) + scheduler.step(loss_train) + + model.eval() + with torch.no_grad(): + loss_test = 0.0 + for batch in test_loader: + input_dict, output = process_batch(batch, device) + pred = model(**input_dict) + loss = F.mse_loss(pred, output) + loss_test += loss.item() + loss_test /= len(test_loader) + mlflow.log_metric("test_loss", value=loss_test, step=epoch) + + import matplotlib.pyplot as plt + + vertices = batch["vertices"].squeeze().cpu().numpy() + press_true = batch["press"].squeeze().cpu().numpy() + press_pred = pred.detach().cpu().numpy().squeeze() + + # --- translation offset --- + offset = 1.5 # how far apart to place them + + fig = plt.figure(figsize=(8, 6)) + ax = fig.add_subplot(111, projection="3d") + + # True (left) + ax.scatter( + vertices[:, 0], + vertices[:, 1], + vertices[:, 2] * 2, + s=2, + c=press_true, + cmap="jet", + label="Ground truth", + ) + + # Prediction (right) — translated in X + ax.scatter( + vertices[:, 0] + offset, + vertices[:, 1], + vertices[:, 2] * 2, + s=2, + c=press_pred, + cmap="jet", + alpha=0.5, + label="Prediction", + ) + + ax.set_xlim(0, 2 + offset) + ax.set_ylim(0, 2) + ax.set_zlim(0, 2) + ax.view_init(elev=20, azim=150, roll=0, vertical_axis="y") + ax.legend() + plt.tight_layout() + plt.savefig("car_cfd_prediction_side_by_side.png", dpi=300) + plt.close() + + +if __name__ == "__main__": + main() diff --git a/experiments/pde_bench/darcy_tutorial.py b/experiments/pde_bench/darcy_tutorial.py new file mode 100644 index 0000000..8de6589 --- /dev/null +++ b/experiments/pde_bench/darcy_tutorial.py @@ -0,0 +1,28 @@ +"""Simple tutorial to read and visualize 2D Darcy Flow data from PDEBench.""" + +from pathlib import Path + +import h5py +import matplotlib.pyplot as plt +import numpy as np + +filepath = Path("/mnt/c/Users/brian/Downloads") +filename = "2D_DarcyFlow_beta0.1_Train.hdf5" + +nb = 200 +with h5py.File(filepath / filename, "r") as h5_file: + data = np.array(h5_file["tensor"], dtype=np.float32)[ + nb + ] # (batch, t, x, y, channel) --> (t, x, y, channel) + nu = np.array(h5_file["nu"], dtype=np.float32)[ + nb + ] # (batch, t, x, y, channel) --> (t, x, y, channel) + print(data.shape, nu.shape) + + +fig, ax = plt.subplots(1, 2, figsize=(16, 8)) +ax[0].imshow(data.squeeze()) +ax[1].imshow(nu.squeeze()) +ax[0].set_title("Data u") +ax[1].set_title("diffusion coefficient nu") +plt.show() diff --git a/experiments/the_well/neuralop_fno.py b/experiments/the_well/neuralop_fno.py index d867c42..093aab0 100644 --- a/experiments/the_well/neuralop_fno.py +++ b/experiments/the_well/neuralop_fno.py @@ -8,7 +8,7 @@ import torch from einops import rearrange from lr_scheduler import LinearWarmupCosineAnnealingLR -from neuralop.models.fno import FNO2d +from neuralop.models.fno import FNO from omegaconf import DictConfig from the_well.data import WellDataModule from torch.profiler import ( @@ -54,9 +54,8 @@ def main(cfg: DictConfig): log.info(f"Number of fields: {num_fields}") # --- model --- - model = FNO2d( - n_modes_height=cfg.model.n_modes_height, - n_modes_width=cfg.model.n_modes_width, + model = FNO( + n_modes=(cfg.model.n_modes_height, cfg.model.n_modes_width), hidden_channels=cfg.model.hidden_channels, in_channels=n_steps_input * num_fields, out_channels=1 * num_fields, diff --git a/pyproject.toml b/pyproject.toml index a48bd39..68ab682 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -11,7 +11,7 @@ dependencies = [ 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