""" Training script for Darcy flow equation using neural operators. This script trains a neural operator on the 2D Darcy flow equation, which models fluid flow through porous media. The script supports distributed training and multi-grid patching for high-resolution data. """ from pathlib import Path import sys import torch from torch.utils.data import DataLoader, DistributedSampler import wandb from neuralop import H1Loss, LpLoss, Trainer, get_model from neuralop.data.datasets import load_darcy_flow_small from neuralop.data.transforms.data_processors import MGPatchingDataProcessor from neuralop.training import setup, AdamW from neuralop.mpu.comm import get_local_rank from neuralop.utils import get_wandb_api_key, count_model_params # Read the configuration from zencfg import make_config_from_cli import sys sys.path.insert(0, "../") from config.darcy_config import Default config = make_config_from_cli(Default) config = config.to_dict() # Distributed training setup, if enabled device, is_logger = setup(config) # Set up WandB logging wandb_args = None if config.wandb.log and is_logger: wandb.login(key=get_wandb_api_key()) if config.wandb.name: wandb_name = config.wandb.name else: wandb_name = "_".join( f"{var}" for var in [ config.model.model_arch, config.model.n_layers, config.model.n_modes, config.model.hidden_channels, ] ) wandb_args = dict( config=config, name=wandb_name, group=config.wandb.group, project=config.wandb.project, entity=config.wandb.entity, ) if config.wandb.sweep: for key in wandb.config.keys(): config.params[key] = wandb.config[key] wandb.init(**wandb_args) # Make sure we only print information when needed config.verbose = config.verbose and is_logger # Print configuration details if config.verbose and is_logger: print(f"##### CONFIG #####\n") print(config) sys.stdout.flush() # Load the Darcy flow dataset data_root = Path(config.data.folder).expanduser() train_loader, test_loaders, data_processor = load_darcy_flow_small( data_root=data_root, n_train=config.data.n_train, batch_size=config.data.batch_size, test_resolutions=config.data.test_resolutions, n_tests=config.data.n_tests, test_batch_sizes=config.data.test_batch_sizes, encode_input=False, encode_output=False, ) # Model initialization model = get_model(config) # convert dataprocessor to an MGPatchingDataProcessor if patching levels > 0 if config.patching.levels > 0: data_processor = MGPatchingDataProcessor( model=model, in_normalizer=data_processor.in_normalizer, out_normalizer=data_processor.out_normalizer, padding_fraction=config.patching.padding, stitching=config.patching.stitching, levels=config.patching.levels, use_distributed=config.distributed.use_distributed, device=device, ) # Distributed data parallel setup # Reconfigure DataLoaders to use a DistributedSampler if in distributed mode if config.distributed.use_distributed: train_db = train_loader.dataset train_sampler = DistributedSampler(train_db, rank=get_local_rank()) train_loader = DataLoader( dataset=train_db, batch_size=config.data.batch_size, sampler=train_sampler ) for (res, loader), batch_size in zip( test_loaders.items(), config.data.test_batch_sizes ): test_db = loader.dataset test_sampler = DistributedSampler(test_db, rank=get_local_rank()) test_loaders[res] = DataLoader( dataset=test_db, batch_size=batch_size, shuffle=False, sampler=test_sampler ) # Create the optimizer optimizer = AdamW( model.parameters(), lr=config.opt.learning_rate, weight_decay=config.opt.weight_decay, ) if config.opt.scheduler == "ReduceLROnPlateau": scheduler = torch.optim.lr_scheduler.ReduceLROnPlateau( optimizer, factor=config.opt.gamma, patience=config.opt.scheduler_patience, mode="min", ) elif config.opt.scheduler == "CosineAnnealingLR": scheduler = torch.optim.lr_scheduler.CosineAnnealingLR( optimizer, T_max=config.opt.scheduler_T_max ) elif config.opt.scheduler == "StepLR": scheduler = torch.optim.lr_scheduler.StepLR( optimizer, step_size=config.opt.step_size, gamma=config.opt.gamma ) else: raise ValueError(f"Got scheduler={config.opt.scheduler}") # Create the losses functions l2loss = LpLoss(d=2, p=2) h1loss = H1Loss(d=2) if config.opt.training_loss == "l2": train_loss = l2loss elif config.opt.training_loss == "h1": train_loss = h1loss else: raise ValueError( f"Got training_loss={config.opt.training_loss} " f'but expected one of ["l2", "h1"]' ) eval_losses = {"h1": h1loss, "l2": l2loss} if config.verbose and is_logger: print("\n### MODEL ###\n", model) print("\n### OPTIMIZER ###\n", optimizer) print("\n### SCHEDULER ###\n", scheduler) print("\n### LOSSES ###") print(f"\n * Train: {train_loss}") print(f"\n * Test: {eval_losses}") print(f"\n### Beginning Training...\n") sys.stdout.flush() trainer = Trainer( model=model, n_epochs=config.opt.n_epochs, device=device, data_processor=data_processor, mixed_precision=config.opt.mixed_precision, wandb_log=config.wandb.log, eval_interval=config.opt.eval_interval, log_output=config.wandb.log_output, use_distributed=config.distributed.use_distributed, verbose=config.verbose and is_logger, ) # Log model parameter count if is_logger: n_params = count_model_params(model) if config.verbose: print(f"\nn_params: {n_params}") sys.stdout.flush() if config.wandb.log: to_log = {"n_params": n_params} if config.n_params_baseline is not None: to_log["n_params_baseline"] = (config.n_params_baseline,) to_log["compression_ratio"] = (config.n_params_baseline / n_params,) to_log["space_savings"] = 1 - (n_params / config.n_params_baseline) wandb.log(to_log, commit=False) wandb.watch(model) # Start training process trainer.train( train_loader=train_loader, test_loaders=test_loaders, optimizer=optimizer, scheduler=scheduler, regularizer=False, training_loss=train_loss, eval_losses=eval_losses, ) # Finalize WandB logging if config.wandb.log and is_logger: wandb.finish()