import logging import os import sys import time from pathlib import Path import torch import torch.nn as nn from torch.amp import GradScaler, autocast from torch.nn.parallel import DistributedDataParallel PROJECT_ROOT = Path(__file__).resolve().parents[1] sys.path.insert(0, str(PROJECT_ROOT)) from model.meshgraphnet import MeshGraphNet from onescience.distributed import DistributedManager from onescience.utils.YParams import YParams from onescience.launch.utils import load_checkpoint, save_checkpoint from fake_data import build_cylinder_flow_datapipe def setup_logging(rank: int): level = logging.INFO if rank == 0 else logging.WARNING logging.basicConfig(level=level, format="%(asctime)s - %(levelname)s - %(message)s") return logging.getLogger("mesh_graph_net.train") def build_model(model_params, device): mlp_act = "silu" if model_params.recompute_activation else "relu" return MeshGraphNet( input_dim_nodes=model_params.num_input_features, input_dim_edges=model_params.num_edge_features, output_dim=model_params.num_output_features, processor_size=model_params.processor_size, hidden_dim_processor=model_params.hidden_dim_processor, num_layers_node_processor=model_params.num_layers_node_processor, num_layers_edge_processor=model_params.num_layers_edge_processor, hidden_dim_node_encoder=model_params.hidden_dim_node_encoder, hidden_dim_edge_encoder=model_params.hidden_dim_edge_encoder, hidden_dim_node_decoder=model_params.hidden_dim_node_decoder, mlp_activation_fn=mlp_act, do_concat_trick=model_params.do_concat_trick, num_processor_checkpoint_segments=model_params.num_processor_checkpoint_segments, recompute_activation=model_params.recompute_activation, ).to(device) def graph_from_batch(batch): return batch[0] if isinstance(batch, (tuple, list)) else batch def resolve_device(device_name: str, manager: DistributedManager, gpuid: int): if manager.world_size > 1: return manager.device if device_name == "cpu": return torch.device("cpu") if device_name in ("cuda", "gpu"): if not torch.cuda.is_available(): raise RuntimeError("Config requested cuda device, but torch.cuda.is_available() is false.") return torch.device(f"cuda:{gpuid}") return torch.device(f"cuda:{gpuid}" if torch.cuda.is_available() else "cpu") def main(): os.chdir(PROJECT_ROOT) DistributedManager.initialize() manager = DistributedManager() logger = setup_logging(manager.rank) config_path = PROJECT_ROOT / "config" / "config.yaml" cfg_model = YParams(config_path, "model") cfg_data = YParams(config_path, "datapipe") cfg_train = YParams(config_path, "training") model_params = cfg_model.specific_params[cfg_model.name] datapipe = build_cylinder_flow_datapipe( params=cfg_data, distributed=(manager.world_size > 1), project_root=PROJECT_ROOT, ) train_loader, train_sampler = datapipe.train_dataloader() val_loader, val_sampler = datapipe.val_dataloader() device = resolve_device(getattr(cfg_train, "device", "auto"), manager, cfg_train.gpuid) logger.info("Using device: %s", device) model = build_model(model_params, device) if manager.world_size > 1: model = DistributedDataParallel(model, device_ids=[manager.local_rank], output_device=manager.local_rank) optimizer = torch.optim.Adam(model.parameters(), lr=cfg_train.lr) scheduler = torch.optim.lr_scheduler.LambdaLR(optimizer, lr_lambda=lambda step: cfg_train.lr_decay_rate**step) loss_criterion = nn.MSELoss() if cfg_train.loss_criterion == "MSE" else nn.L1Loss() scaler = GradScaler(enabled=bool(cfg_train.amp)) checkpoint_dir = PROJECT_ROOT / cfg_train.checkpoint_dir epoch_init = load_checkpoint(checkpoint_dir, models=model, optimizer=optimizer, scheduler=scheduler, scaler=scaler, device=device) best_valid_loss = float("inf") best_loss_epoch = epoch_init logger.info("Starting training") for epoch in range(epoch_init, cfg_train.max_epoch): if train_sampler is not None: train_sampler.set_epoch(epoch) start = time.time() model.train() train_loss = 0.0 for idx, batch in enumerate(train_loader): graph = graph_from_batch(batch).to(device) optimizer.zero_grad(set_to_none=True) with autocast(device_type=device.type, enabled=bool(cfg_train.amp)): pred = model(graph.ndata["x"], graph.edata["x"], graph) loss = loss_criterion(pred, graph.ndata["y"]) scaler.scale(loss).backward() scaler.step(optimizer) scaler.update() scheduler.step() train_loss += loss.item() if manager.rank == 0 and (idx + 1) % cfg_train.log_interval == 0: logger.info("Epoch %s/%s batch %s/%s loss %.6f", epoch + 1, cfg_train.max_epoch, idx + 1, len(train_loader), loss.item()) train_loss /= max(len(train_loader), 1) model.eval() valid_loss = 0.0 with torch.no_grad(): for batch in val_loader: graph = graph_from_batch(batch).to(device) with autocast(device_type=device.type, enabled=bool(cfg_train.amp)): pred = model(graph.ndata["x"], graph.edata["x"], graph) loss = loss_criterion(pred, graph.ndata["y"]) valid_loss += loss.item() valid_loss /= max(len(val_loader), 1) if manager.rank == 0: logger.info( "Epoch %s finished in %.2fs train_loss %.6f valid_loss %.6f", epoch + 1, time.time() - start, train_loss, valid_loss, ) if valid_loss < best_valid_loss: best_valid_loss = valid_loss best_loss_epoch = epoch save_checkpoint(checkpoint_dir, models=model, optimizer=optimizer, scheduler=scheduler, scaler=scaler, epoch=epoch + 1) logger.info("Checkpoint saved to %s", checkpoint_dir) if (epoch - best_loss_epoch) > cfg_train.patience: logger.warning("Early stopping after %s stale epochs", cfg_train.patience) break logger.info("Training finished") if __name__ == "__main__": main()