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import os
import time
import torch
import torch.nn.functional as F
import numpy as np
from tqdm import tqdm
import numpy as np
from sklearn.metrics import precision_recall_fscore_support, roc_auc_score
class TrainerEngine:
def __init__(self, model, optimizer, scheduler, device, logger, args):
self.model = model
self.optimizer = optimizer
self.scheduler = scheduler
self.device = device
self.logger = logger
self.args = args
self.best_val_loss = float('inf')
def _normalize(self, x, is_norm=True, method='log1p'):
if is_norm:
if method == 'log1p':
return torch.log1p(x)
else:
raise ValueError(f"Unsupported normalization: {method}")
else:
if method == 'log1p':
return torch.exp(x)-1
else:
raise ValueError(f"Unsupported normalization: {method}")
def log_classification_metrics(self, y_true_dict, y_pred_dict, prefix="Test"):
"""
计算并记录三个层级分类任务的 Precision, Recall, Macro/Micro F1 以及单类指标。
Args:
y_true_dict: dict, 包含 'class', 'subclass', 'supertype' 的真实标签 Numpy 数组
y_pred_dict: dict, 包含 'class', 'subclass', 'supertype' 的预测标签 Numpy 数组
prefix: str, 日志前缀,例如 'Val' 或 'Test'
"""
self.logger.info(f"========== {prefix} Classification Metrics ==========")
tasks = ['class', 'subclass', 'supertype']
for task in tasks:
y_true = y_true_dict[task]
y_pred = y_pred_dict[task]
# 计算 Macro 和 Micro 级别的总体指标
# zero_division=0 极其重要,防止某些罕见细胞在当前 batch/epoch 没出现时报错
macro_p, macro_r, macro_f1, _ = precision_recall_fscore_support(
y_true, y_pred, average='macro', zero_division=0
)
micro_p, micro_r, micro_f1, _ = precision_recall_fscore_support(
y_true, y_pred, average='micro', zero_division=0
)
# 计算 Per-class (单类) 级别的指标
per_class_p, per_class_r, per_class_f1, support = precision_recall_fscore_support(
y_true, y_pred, average=None, zero_division=0
)
# 1. 记录总体指标 (Macro / Micro)
self.logger.info(f"[{task.upper()}] Macro - Precision: {macro_p:.4f} | Recall: {macro_r:.4f} | F1: {macro_f1:.4f}")
self.logger.info(f"[{task.upper()}] Micro - Precision: {micro_p:.4f} | Recall: {micro_r:.4f} | F1: {micro_f1:.4f}")
# 2. 紧凑记录单类指标 (Per-class)
# 为了防止日志过长,只打印 Support > 0 (真实存在的类) 或有预测值的类
per_class_logs = []
for i in range(len(per_class_p)):
# 过滤掉既没有真实样本,又没有被预测为该类的“空类”
if support[i] > 0 or per_class_p[i] > 0:
per_class_logs.append(f"C{i}(S={support[i]}): P={per_class_p[i]:.4f}/R={per_class_r[i]:.4f}")
# 将单类指标合并为一行长字符串记录(或者按固定数量换行)
per_class_str = " | ".join(per_class_logs)
self.logger.info(f"[{task.upper()}] Per-class P/R: {per_class_str}")
self.logger.info("-" * 50)
def log_auc_roc_metrics(self, y_true_dict, y_prob_dict, num_classes_dict, prefix="Test"):
"""
鲁棒的多分类 AUC-ROC 计算模块。
Args:
y_true_dict: dict, 包含真实标签的 1D Numpy 数组
y_prob_dict: dict, 包含经过 Softmax 的预测概率的 2D Numpy 数组 [N, C]
num_classes_dict: dict, 各个任务的类别总数,例如 {'class': 3, 'subclass': 24, 'supertype': 137}
prefix: str, 日志前缀
"""
self.logger.info(f"========== {prefix} AUC-ROC Metrics ==========")
tasks = ['class', 'subclass', 'supertype']
for task in tasks:
y_true = y_true_dict[task]
y_prob = y_prob_dict[task]
num_c = num_classes_dict[task]
# 1. 计算 Micro AUC (全局看作一个巨大的二分类任务)
# 将 y_true 转为 one-hot 格式,方便与概率矩阵直接计算
y_true_onehot = np.zeros_like(y_prob)
y_true_onehot[np.arange(len(y_true)), y_true] = 1
# Micro AUC: 展平所有维度直接算
micro_auc = roc_auc_score(y_true_onehot.ravel(), y_prob.ravel())
# 2. 鲁棒地计算 Macro AUC (One-vs-Rest)
# 针对长尾分布:只对存在正样本且存在负样本的类进行计算,防止 sklearn 报错
valid_auc_scores = []
for c in range(num_c):
y_true_binary = (y_true == c).astype(int)
# 只有当该类同时存在 0 和 1 的时候(即既有正样本也有负样本),才能算 AUC
if len(np.unique(y_true_binary)) == 2:
auc = roc_auc_score(y_true_binary, y_prob[:, c])
valid_auc_scores.append(auc)
# 取有效类的均值作为 Macro AUC
macro_auc = np.mean(valid_auc_scores) if len(valid_auc_scores) > 0 else 0.0
# 3. 记录日志
self.logger.info(f"[{task.upper()}] AUC-ROC - Macro: {macro_auc:.4f} | Micro: {micro_auc:.4f} | (Valid classes: {len(valid_auc_scores)}/{num_c})")
self.logger.info("-" * 50)
def compute_loss(self, batch_data):
X = batch_data['X'].to(self.device)
# batch_id = batch_data['batch_id'].to(self.device)
y_c = batch_data['y_class'].to(self.device)
y_sc = batch_data['y_subclass'].to(self.device)
y_st = batch_data['y_supertype'].to(self.device)
confidence = batch_data['confidence'].to(self.device)
# recon_X, logits, z = self.model(X, batch_id)
X = self._normalize(X) # log(1+x) 处理输入特征的数值范围
recon_X, logits, z = self.model(X)
logit_c, logit_sc, logit_st = logits
loss_recon = F.mse_loss(recon_X, X)
loss_c = F.cross_entropy(logit_c, y_c)
loss_sc = F.cross_entropy(logit_sc, y_sc)
# 带有 Confidence 的样本级加权 Loss
loss_st_unweighted = F.cross_entropy(logit_st, y_st, reduction='none')
loss_st = (loss_st_unweighted * confidence).mean()
# total_loss = 1.0 * loss_recon + 0.5 * loss_c + 1.0 * loss_sc + 2.0 * loss_st
total_loss = 1.0 * loss_recon + 1.0 * loss_c + 1.0 * loss_sc + 1.0 * loss_st
metrics = {'total': total_loss, 'recon': loss_recon.item(), 'class': loss_c.item(), 'subclass': loss_sc.item(), 'supertype': loss_st.item()}
logits_dict = {'class': logit_c, 'subclass': logit_sc, 'supertype': logit_st}
return total_loss, loss_recon, metrics, logits_dict, z
def train_epoch(self, dataloader):
self.model.train()
epoch_metrics = {'total': 0.0, 'recon': 0.0, 'class': 0.0, 'subclass': 0.0, 'supertype': 0.0}
for batch_data in tqdm(dataloader, desc="Training"):
self.optimizer.zero_grad()
loss, _, metrics, _, _ = self.compute_loss(batch_data)
loss.backward()
torch.nn.utils.clip_grad_norm_(self.model.parameters(), max_norm=5.0)
self.optimizer.step()
for k in epoch_metrics: epoch_metrics[k] += metrics[k]
return {k: v / len(dataloader) for k, v in epoch_metrics.items()}
@torch.no_grad()
def eval_epoch(self, dataloader):
self.model.eval()
epoch_metrics = {'total': 0.0, 'recon': 0.0, 'class': 0.0, 'subclass': 0.0, 'supertype': 0.0}
for batch_data in tqdm(dataloader, desc="Evaluating"):
_, _, metrics, _, _ = self.compute_loss(batch_data)
for k in epoch_metrics: epoch_metrics[k] += metrics[k]
return {k: v / len(dataloader) for k, v in epoch_metrics.items()}
def train(self, train_loader, val_loader):
os.makedirs(self.args.save_dir, exist_ok=True)
best_model_path = os.path.join(self.args.save_dir, "best_model.pth")
patience_counter = 0
for epoch in range(1, self.args.max_epochs + 1):
start_time = time.time()
train_metrics = self.train_epoch(train_loader)
val_metrics = self.eval_epoch(val_loader)
self.scheduler.step()
self.logger.info(f"Epoch [{epoch:03d}/{self.args.max_epochs:03d}] | Time: {time.time()-start_time:.1f}s | LR: {self.scheduler.get_last_lr()[0]:.2e}")
self.logger.info(f" [Train] Total: {train_metrics['total']:.4f} | Recon: {train_metrics['recon']:.4f} | Class: {train_metrics['class']:.4f} | Subclass: {train_metrics['subclass']:.4f} | Supertype: {train_metrics['supertype']:.4f}")
self.logger.info(f" [Val] Total: {val_metrics['total']:.4f} | Recon: {val_metrics['recon']:.4f} | Class: {val_metrics['class']:.4f} | Subclass: {val_metrics['subclass']:.4f} | Supertype: {val_metrics['supertype']:.4f}")
if epoch > 1:
self.logger.info(f" [Best Val] Total: {self.best_val_loss:.4f} | Recon: {best_val_metrics['recon']:.4f} | Class: {best_val_metrics['class']:.4f} | Subclass: {best_val_metrics['subclass']:.4f} | Supertype: {best_val_metrics['supertype']:.4f}")
if val_metrics['total'] < self.best_val_loss:
self.best_val_loss = val_metrics['total']
best_val_metrics = val_metrics
patience_counter = 0
torch.save(self.model.state_dict(), best_model_path)
self.logger.info(f"Best model saved!")
else:
patience_counter += 1
if patience_counter >= self.args.patience:
self.logger.info("Early stopping triggered!")
break
@torch.no_grad()
def test(self, test_loader):
self.logger.info("\nLoading best model for Test set evaluation...")
best_model_path = os.path.join(self.args.save_dir, "best_model.pth")
self.model.load_state_dict(torch.load(best_model_path, map_location=self.device))
self.model.eval()
res = {'latent': [], 'spatial': [], 'batch': [], 'supertype': [], 'cps': []}
epoch_metrics = {'total': 0.0, 'recon': 0.0, 'class': 0.0, 'subclass': 0.0, 'supertype': 0.0}
# 用于收集全 Epoch 的真实标签和预测结果
all_y_true = {'class': [], 'subclass': [], 'supertype': []}
all_y_pred = {'class': [], 'subclass': [], 'supertype': []}
# 🌟 新增:用于收集预测概率 [N, C] 的容器
all_y_prob = {'class': [], 'subclass': [], 'supertype': []}
for batch_data in test_loader:
_, _, metrics, logits_dict, z = self.compute_loss(batch_data)
res['latent'].append(z.cpu())
res['spatial'].append(batch_data['spatial'].cpu())
res['batch'].append(batch_data['batch_id'].cpu())
res['supertype'].append(batch_data['y_supertype'].cpu())
res['cps'].append(batch_data['cps'].cpu())
for k in epoch_metrics: epoch_metrics[k] += metrics[k]
# 2. 提取真实的标签并转为 CPU Numpy
all_y_true['class'].append(batch_data['y_class'].cpu().numpy())
all_y_true['subclass'].append(batch_data['y_subclass'].cpu().numpy())
all_y_true['supertype'].append(batch_data['y_supertype'].cpu().numpy())
# 🌟 新增:对 logits 进行 Softmax 转为概率,并收集 [Batch, Num_Classes]
all_y_prob['class'].append(F.softmax(logits_dict['class'], dim=-1).cpu().numpy())
all_y_prob['subclass'].append(F.softmax(logits_dict['subclass'], dim=-1).cpu().numpy())
all_y_prob['supertype'].append(F.softmax(logits_dict['supertype'], dim=-1).cpu().numpy())
# 3. 从 logits 中提取预测类别 (argmax),并转为 CPU Numpy
# 假设 compute_loss 返回了 logit_c, logit_sc, logit_st 组成的 logits_dict
# 这里为了演示,我假设你的 logits 已经拿到了
logit_c = logits_dict['class']
logit_sc = logits_dict['subclass']
logit_st = logits_dict['supertype']
all_y_pred['class'].append(logit_c.argmax(dim=-1).cpu().numpy())
all_y_pred['subclass'].append(logit_sc.argmax(dim=-1).cpu().numpy())
all_y_pred['supertype'].append(logit_st.argmax(dim=-1).cpu().numpy())
test_metrics = {k: v / len(test_loader) for k, v in epoch_metrics.items()}
self.logger.info(f" [Test] Total: {test_metrics['total']:.4f} | Recon: {test_metrics['recon']:.4f} | Class: {test_metrics['class']:.4f} | Subclass: {test_metrics['subclass']:.4f} | Supertype: {test_metrics['supertype']:.4f}")
# 将 List of Numpy arrays 拼接成一个完整的大一维 Array
final_y_true = {k: np.concatenate(v) for k, v in all_y_true.items()}
final_y_pred = {k: np.concatenate(v) for k, v in all_y_pred.items()}
# 🌟 调用我们刚才写的日志函数计算并打印 P, R, F1
self.log_classification_metrics(final_y_true, final_y_pred, prefix='test')
# 🌟 新增:拼接概率矩阵 (沿着样本维度 dim=0 拼接)
final_y_prob = {k: np.concatenate(v, axis=0) for k, v in all_y_prob.items()}
num_classes_dict = {
'class': self.args.output_num[0],
'subclass': self.args.output_num[1],
'supertype': self.args.output_num[2],
}
self.log_auc_roc_metrics(final_y_true, final_y_prob, num_classes_dict, prefix='Test')
res = {k: torch.cat(v, dim=0).numpy() for k, v in res.items()}
out_path = os.path.join(self.args.save_dir, 'test_features.npz')
np.savez_compressed(out_path, **res)
self.logger.info(f"Features saved to: {out_path}")
return res