import sys sys.path.append('./src') import matplotlib matplotlib.use('Agg') from omegaconf import OmegaConf ### for yaml config parsing import torch import numpy as np import torch.optim as optim from tqdm import tqdm from torchinfo import summary from pathlib import Path from models import get_triple_photon_model_class from datasets import triplePhotonDataset ### random seed for reproducibility torch.manual_seed(0) torch.cuda.manual_seed(0) np.random.seed(0) torch.backends.cudnn.deterministic = True torch.backends.cudnn.benchmark = False conf = OmegaConf.load("Configs/train_3photon.yaml") def prepare_output_folder(conf): from datetime import datetime date = datetime.now().strftime("%y%m%d") ## YYMMDD format # find the next index for experiment name exp_index = 0 while True: exp_name = f'{date}_{conf.data.energy}keV_v{conf.model.version}_{exp_index:02d}' if not Path(f'Results/3ph/{exp_name}').exists(): break exp_index += 1 Path(f'Results/3ph/{exp_name}').mkdir(parents=True, exist_ok=True) Path(f'Results/3ph/{exp_name}/Models').mkdir(parents=True, exist_ok=True) Path(f'Results/3ph/{exp_name}/Plots').mkdir(parents=True, exist_ok=True) OmegaConf.save(conf, f'Results/3ph/{exp_name}/config.yaml') return exp_name def get_loss_function(conf): if conf.loss.type == "three_point_set_loss_smooth_l1": def three_point_set_loss_smooth_l1(pred_xy, gt_xy): loss_fn = torch.nn.SmoothL1Loss(reduction='none', beta=conf.loss.smooth_l1_beta) p1, p2, p3 = pred_xy[:,0], pred_xy[:,1], pred_xy[:,2] g1, g2, g3 = gt_xy[:,0], gt_xy[:,1], gt_xy[:,2] # 1. 匹配阶段:计算全部 6 种排列的 L2 物理距离 (不参与梯度计算) with torch.no_grad(): def calc_cost(ga, gb, gc): return ((p1 - ga)**2).sum(dim=-1) + \ ((p2 - gb)**2).sum(dim=-1) + \ ((p3 - gc)**2).sum(dim=-1) # 枚举 3个光子的 6 种全排列 (Permutations) c0 = calc_cost(g1, g2, g3) c1 = calc_cost(g1, g3, g2) c2 = calc_cost(g2, g1, g3) c3 = calc_cost(g2, g3, g1) c4 = calc_cost(g3, g1, g2) c5 = calc_cost(g3, g2, g1) # 将 6 种 cost 堆叠起来,形状变为 [B, 6] costs = torch.stack([c0, c1, c2, c3, c4, c5], dim=1) # 找到每个 batch 中 cost 最小的那个排列的索引 (0 到 5) min_indices = torch.argmin(costs, dim=1) # [B] # 预定义好 6 种排列对应的物理索引 (0代表g1, 1代表g2, 2代表g3) perms = torch.tensor([ [0, 1, 2], # c0 [0, 2, 1], # c1 [1, 0, 2], # c2 [1, 2, 0], # c3 [2, 0, 1], # c4 [2, 1, 0] # c5 ], device=pred_xy.device) # 获取当前 batch 最优的排列索引组合,形状为 [B, 3] best_perms = perms[min_indices] # 将 Ground Truth 堆叠为 [B, 3, 2] 的统一张量 g_all = torch.stack([g1, g2, g3], dim=1) # 利用高级索引一次性完成重组 batch_idx = torch.arange(pred_xy.size(0), device=pred_xy.device).unsqueeze(-1) g_matched = g_all[batch_idx, best_perms] # [B, 3, 2] # 2. 惩罚阶段:对重组后完美对齐的坐标计算 L2 Loss loss_p1 = loss_fn(p1, g_matched[:, 0]).sum(dim=-1) loss_p2 = loss_fn(p2, g_matched[:, 1]).sum(dim=-1) loss_p3 = loss_fn(p3, g_matched[:, 2]).sum(dim=-1) loss = (loss_p1 + loss_p2 + loss_p3).mean() / 3.0 return loss return three_point_set_loss_smooth_l1 def get_mse(pred_xy, gt_xy): p1, p2, p3 = pred_xy[:,0], pred_xy[:,1], pred_xy[:,2] g1, g2, g3 = gt_xy[:,0], gt_xy[:,1], gt_xy[:,2] with torch.no_grad(): def calc_cost(ga, gb, gc): return ((p1 - ga)**2).sum(dim=-1) + \ ((p2 - gb)**2).sum(dim=-1) + \ ((p3 - gc)**2).sum(dim=-1) c0 = calc_cost(g1, g2, g3) c1 = calc_cost(g1, g3, g2) c2 = calc_cost(g2, g1, g3) c3 = calc_cost(g2, g3, g1) c4 = calc_cost(g3, g1, g2) c5 = calc_cost(g3, g2, g1) costs = torch.stack([c0, c1, c2, c3, c4, c5], dim=1) min_costs, _ = torch.min(costs, dim=1) # [B] mse_1d = min_costs.mean() / 6.0 # num_photons=3, num_axes=2 return mse_1d def train(model, trainLoader, optimizer, loss_fn): model.train() batchLoss = 0 sum_squared_error_1d = 0; event_count = 0 for batch_idx, (sample, label) in enumerate(trainLoader): sample, label = sample.cuda(), label.cuda() x1, y1, z1, e1 = label[:, 0, 0], label[:, 0, 1], label[:, 0, 2], label[:, 0, 3] x2, y2, z2, e2 = label[:, 1, 0], label[:, 1, 1], label[:, 1, 2], label[:, 1, 3] x3, y3, z3, e3 = label[:, 2, 0], label[:, 2, 1], label[:, 2, 2], label[:, 2, 3] gt_xy = torch.stack((torch.stack((x1, y1), axis=1), torch.stack((x2, y2), axis=1), torch.stack((x3, y3), axis=1)), axis=1) optimizer.zero_grad() output = model(sample) pred_xy = torch.stack((output[:,0:2], output[:,2:4], output[:,4:6]), axis=1) loss = loss_fn(pred_xy, gt_xy) loss.backward() optimizer.step() batchLoss += loss.item() * sample.shape[0] mse_1d = get_mse(pred_xy, gt_xy) sum_squared_error_1d += mse_1d.item() * sample.shape[0] event_count += sample.shape[0] avgLoss = batchLoss / len(trainLoader.dataset) / 6 ### divide by 6 to get the average loss per photon per axis rms_1d = np.sqrt(sum_squared_error_1d / event_count) print(f"[Train]\t Average Loss: {avgLoss:.6f} (RMS = {rms_1d:.6f})") return avgLoss, rms_1d def evaluate(model, valLoader, loss_fn): model.eval() batchLoss = 0 sum_squared_error_1d = 0; event_count = 0 with torch.no_grad(): for batch_idx, (sample, label) in enumerate(valLoader): sample, label = sample.cuda(), label.cuda() x1, y1, z1, e1 = label[:, 0, 0], label[:, 0, 1], label[:, 0, 2], label[:, 0, 3] x2, y2, z2, e2 = label[:, 1, 0], label[:, 1, 1], label[:, 1, 2], label[:, 1, 3] x3, y3, z3, e3 = label[:, 2, 0], label[:, 2, 1], label[:, 2, 2], label[:, 2, 3] gt_xy = torch.stack((torch.stack((x1, y1), axis=1), torch.stack((x2, y2), axis=1), torch.stack((x3, y3), axis=1)), axis=1) output = model(sample) pred_xy = torch.stack((output[:,0:2], output[:,2:4], output[:,4:6]), axis=1) loss = loss_fn(pred_xy, gt_xy) mse_1d = get_mse(pred_xy, gt_xy) sum_squared_error_1d += mse_1d.item() * sample.shape[0] event_count += sample.shape[0] batchLoss += loss.item() * sample.shape[0] avgLoss = batchLoss / len(valLoader.dataset) / 6 ### divide by 6 to get the average loss per photon per axis rms_1d = np.sqrt(sum_squared_error_1d / event_count) print(f"[Val]\t Average Loss: {avgLoss:.6f} (RMS = {rms_1d:.6f})") return avgLoss, rms_1d def get_dataloaders(conf): """construct all dataloaders""" datasets = {} loaders = {} splits = ['Train', 'Val', 'Test'] keys = ['train_files', 'val_files', 'test_files'] batch_keys = ['batch_size_train', 'batch_size_val', 'batch_size_test'] file_range_keys = ['train_file_range', 'val_file_range', 'test_file_range'] for split, key, batch_key, file_range_key in zip(splits, keys, batch_keys, file_range_keys): files = [f"{conf.data.sample_folder}/pileupOf3phs_sample_{i}.npz" for i in range(conf.data[file_range_key][0], conf.data[file_range_key][1] + 1)] datasets[split] = triplePhotonDataset( files, sampleRatio = conf.data.sample_ratio, datasetName = split.capitalize(), ) loaders[split] = torch.utils.data.DataLoader( datasets[split], batch_size=conf.data[batch_key], shuffle=(split=='Train'), num_workers=conf.data.num_workers, pin_memory=True ) return loaders['Train'], loaders['Val'], loaders['Test'] def plot_loss_curves(train_losses, val_losses, test_loss, exp_name, conf): import matplotlib.pyplot as plt plt.figure(figsize=(8,6)) plt.plot(train_losses, label='Train Loss') plt.plot(val_losses, label='Val Loss') if test_loss > 0: plt.axhline(y=test_loss, color='green', linestyle='--', label='Test Loss') plt.xlabel('Epoch') plt.ylabel('MSE Loss') plt.yscale('log') plt.legend() plt.grid() plotName = f'loss_curve_triplePhoton_{conf.model.version}.png' plt.savefig(f'Results/3ph/{exp_name}/Plots/{plotName}') plt.close() def plot_rms_curves(train_rms, val_rms, test_rms, exp_name, conf): import matplotlib.pyplot as plt plt.figure(figsize=(8,6)) plt.plot(train_rms, label='Train RMS') plt.plot(val_rms, label='Val RMS') if test_rms > 0: plt.axhline(y=test_rms, color='green', linestyle='--', label='Test RMS') plt.xlabel('Epoch') plt.ylabel('RMS Error [pixels]') plt.yscale('log') plt.legend() plt.grid() plotName = f'rms_curve_triplePhoton_{conf.model.version}.png' plt.savefig(f'Results/3ph/{exp_name}/Plots/{plotName}') plt.close() def get_model_name(conf): modelName = f'triplePhoton{conf.model.version}_{conf.data.energy}keV' return modelName if __name__ == "__main__": exp_name = prepare_output_folder(conf) model = get_triple_photon_model_class(conf.model.version)().cuda() # summary(model, input_size=(128, 3, conf.data.n_size, conf.data.n_size)) loss_fn = get_loss_function(conf) optimizer = torch.optim.Adam(model.parameters(), lr=conf.training.learning_rate, weight_decay=conf.training.weight_decay) scheduler = optim.lr_scheduler.ReduceLROnPlateau(optimizer, 'min', factor=conf.training.scheduler_factor, patience=conf.training.scheduler_patience) trainLoader, valLoader, testLoader = get_dataloaders(conf) TrainLosses, ValLosses = [], [] train_rms, val_rms = [], [] for epoch in tqdm(range(1, conf.training.epochs + 1)): train_loss, train_rms_epoch = train(model, trainLoader, optimizer, loss_fn) val_loss, val_rms_epoch = evaluate(model, valLoader, loss_fn) TrainLosses.append(train_loss) ValLosses.append(val_loss) train_rms.append(train_rms_epoch) val_rms.append(val_rms_epoch) scheduler.step(val_loss) print(f"Learning Rate: {optimizer.param_groups[0]['lr']:.2e}") if epoch in conf.training.checkpoint_epochs or epoch == conf.training.epochs: modelName = get_model_name(conf) torch.save(model.state_dict(), f'Results/3ph/{exp_name}/Models/{modelName}_E{epoch}.pth') print(f"Saved model checkpoint: {modelName}_E{epoch}.pth") plot_loss_curves(TrainLosses, ValLosses, test_loss=-1, exp_name=exp_name, conf=conf) plot_rms_curves(train_rms, val_rms, test_rms=-1, exp_name=exp_name, conf=conf) test_loss, test_rms = evaluate(model, testLoader, loss_fn) plot_loss_curves(TrainLosses, ValLosses, test_loss=test_loss, exp_name=exp_name, conf=conf) plot_rms_curves(train_rms, val_rms, test_rms=test_rms, exp_name=exp_name, conf=conf)