reverse_osmosis_model/fouling_model_0922/data_trainer.py

# data_trainer.py
import torch
import joblib
import numpy as np
import pandas as pd
from sklearn.metrics import r2_score
from datetime import datetime, timedelta
from sklearn.preprocessing import MinMaxScaler

class Trainer:
    def __init__(self, model, args, data):
        self.args = args
        self.model = model
        self.data = data
        
        # 早停相关参数
        self.patience = args.patience
        self.min_delta = args.min_delta
        self.counter = 0
        self.early_stop = False
        self.best_val_loss = float('inf')
        self.best_model_state = None
        self.best_epoch = 0

    def train_full_model(self, train_loader, val_loader, optimizer, criterion, scheduler):
        """联合训练所有16个子模型"""
        self.counter = 0
        self.best_val_loss = float('inf')
        self.early_stop = False
        self.best_model_state = None
        self.best_epoch = 0
        max_epochs = self.args.epochs

        for epoch in range(max_epochs):
            self.model.train()
            running_loss = 0.0
            
            for inputs, targets in train_loader:
                inputs = inputs.to(self.args.device)
                targets = targets.to(self.args.device)  # 整体目标值（包含所有16个因变量）
                
                optimizer.zero_grad()
                outputs = self.model(inputs)  # 整体模型输出
                
                loss = criterion(outputs, targets)  # 计算整体损失
                loss.backward()
                optimizer.step()
                running_loss += loss.item()
            
            train_loss = running_loss / len(train_loader)
            val_loss = self.validate_full(val_loader, criterion) if val_loader else 0.0

            print(f'Epoch {epoch+1}/{max_epochs}, '
                  f'Train Loss: {train_loss:.6f}, '
                  f'Val Loss: {val_loss:.6f}, '
                  f'LR: {optimizer.param_groups[0]["lr"]:.6f}')

            # 早停逻辑（基于整体验证损失）
            if val_loader:
                improved = val_loss < (self.best_val_loss - self.min_delta)
                if improved:
                    self.best_val_loss = val_loss
                    self.counter = 0
                    self.best_model_state = self.model.state_dict()
                    self.best_epoch = epoch
                else:
                    self.counter += 1
                    if self.counter >= self.patience:
                        self.early_stop = True
                        print(f"早停触发")
                        
            scheduler.step()
            torch.cuda.empty_cache()
            if self.early_stop:
                break

        # 加载最佳状态
        if self.best_model_state is not None:
            self.model.load_state_dict(self.best_model_state)
        print(f"最佳迭代: {self.best_epoch+1}, 最佳验证损失: {self.best_val_loss:.6f}")
        return self.model

    def validate_full(self, val_loader, criterion):
        """验证整个模型（包含所有16个子模型）"""
        self.model.eval()
        total_loss = 0.0
        with torch.no_grad():
            for inputs, targets in val_loader:
                inputs = inputs.to(self.args.device)
                targets = targets.to(self.args.device)  # 整体目标值
                
                outputs = self.model(inputs)  # 整体模型输出
                loss = criterion(outputs, targets)  # 整体损失计算
                total_loss += loss.item()
        return total_loss / len(val_loader)

    def save_model(self):
        torch.save(self.model.state_dict(), self.args.model_path)
        print(f"模型已保存到：{self.args.model_path}")
            
    def evaluate_model(self, test_loader, criterion):
        self.model.eval()
        scaler_path = 'scaler.pkl'
        scaler = joblib.load(scaler_path)
        predictions = []
        true_values = []
        device = self.args.device
        
        with torch.no_grad():
            for inputs, targets in test_loader:
                inputs = inputs.to(device)
                targets = targets.to(device)
                outputs = self.model(inputs)
                predictions.append(outputs.cpu().numpy())
                true_values.append(targets.cpu().numpy())
    
        predictions = np.concatenate(predictions, axis=0)
        true_values = np.concatenate(true_values, axis=0)
    
        # 重塑预测值和真实值形状以匹配反归一化要求
        reshaped_predictions = predictions.reshape(predictions.shape[0], 
                                                   self.args.output_size, 
                                                   self.args.labels_num)
        predictions = reshaped_predictions.reshape(-1, self.args.labels_num)
        
        reshaped_true_values = true_values.reshape(true_values.shape[0], 
                                                   self.args.output_size, 
                                                   self.args.labels_num)
        true_values = reshaped_true_values.reshape(-1, self.args.labels_num)
    
        # 反归一化（仅对标签列）
        column_scaler = MinMaxScaler(feature_range=(0, 1))
        column_scaler.min_ = scaler.min_[-self.args.labels_num:] 
        column_scaler.scale_ = scaler.scale_[-self.args.labels_num:] 
        
        true_values = column_scaler.inverse_transform(true_values)
        predictions = column_scaler.inverse_transform(predictions)
    
        # 定义列名（16个因变量）
        column_names = [
            'C.M.RO1_DB@DPT_1', 'C.M.RO2_DB@DPT_1', 'C.M.RO3_DB@DPT_1', 'C.M.RO4_DB@DPT_1',
            'C.M.RO1_DB@DPT_2', 'C.M.RO2_DB@DPT_2', 'C.M.RO3_DB@DPT_2', 'C.M.RO4_DB@DPT_2',
        ]
    
        # 生成时间序列
        start_datetime = datetime.strptime(self.args.test_start_date, "%Y-%m-%d")
        time_interval = timedelta(minutes=(4 * self.args.resolution / 60))
        total_points = len(predictions)
        date_times = [start_datetime + i * time_interval for i in range(total_points)]
        
        # 保存结果到DataFrame
        results = pd.DataFrame({'date': date_times})

        # 计算评估指标
        r2_scores = {}
        rmse_scores = {}
        mape_scores = {}
        metrics_details = []
        
        for i, col_name in enumerate(column_names):
            results[f'{col_name}_True'] = true_values[:, i]
            results[f'{col_name}_Predicted'] = predictions[:, i]

            var_true = true_values[:, i]
            var_pred = predictions[:, i]

            # 过滤零值（避免除零错误）
            non_zero_mask = var_true != 0
            var_true_nonzero = var_true[non_zero_mask]
            var_pred_nonzero = var_pred[non_zero_mask]

            r2 = float('nan')
            rmse = float('nan')
            mape = float('nan')
            
            if len(var_true_nonzero) > 0:
                r2 = r2_score(var_true_nonzero, var_pred_nonzero)
                rmse = np.sqrt(np.mean((var_true_nonzero - var_pred_nonzero) ** 2))
                mape = np.mean(np.abs((var_true_nonzero - var_pred_nonzero) / np.abs(var_true_nonzero))) * 100
                
                r2_scores[col_name] = r2
                rmse_scores[col_name] = rmse
                mape_scores[col_name] = mape
                
                detail = f"{col_name}:\n  R方 = {r2:.6f}\n  RMSE = {rmse:.6f}\n  MAPE = {mape:.6f}%"
                metrics_details.append(detail)
                print(f"{col_name} R方: {r2:.6f}")
            else:
                metrics_details.append(f"{col_name}: 没有有效数据用于计算指标")
                print(f"{col_name} 没有有效数据用于计算R方")

        # 计算平均指标
        valid_r2 = [score for score in r2_scores.values() if not np.isnan(score)]
        valid_rmse = [score for score in rmse_scores.values() if not np.isnan(score)]
        valid_mape = [score for score in mape_scores.values() if not np.isnan(score)]
        
        avg_r2 = np.mean(valid_r2) if valid_r2 else float('nan')
        avg_rmse = np.mean(valid_rmse) if valid_rmse else float('nan')
        avg_mape = np.mean(valid_mape) if valid_mape else float('nan')

        avg_detail = f"\n平均指标:\n  R方 = {avg_r2:.6f}\n  RMSE = {avg_rmse:.6f}\n  MAPE = {avg_mape:.6f}%"
        if np.isnan(avg_r2):
            avg_detail = "\n平均指标: 没有有效的指标可用于计算平均值"
        
        metrics_details.append(avg_detail)
        print(avg_detail)

        # 保存结果
        results.to_csv(self.args.output_csv_path, index=False)
        print(f"预测结果已保存到：{self.args.output_csv_path}")

        txt_path = self.args.output_csv_path.replace('.csv', '_metrics_results.txt')
        with open(txt_path, 'w') as f:
            f.write("各变量预测指标结果:\n")
            f.write("===================\n\n")
            for detail in metrics_details:
                f.write(detail + '\n')
        
        print(f"预测指标结果已保存到：{txt_path}")
        
        return r2_scores, rmse_scores, mape_scores