arXiv:2510.09662cs.LGcond-mat.mtrl-sci2025-10被引 3

提出新损失函数提升电化学阻抗谱建模效率与精度。

Assessment of different loss functions for fitting equivalent circuit models to electrochemical impedance spectroscopy data

  • 设计基于Bode图的log-B和log-BW损失函数,优化拟合过程。
  • X2损失函数在拟合质量上最优,log-B速度更快且组件误差更低。
  • 适合大规模数据建模,如机器学习训练中的参数拟合场景。

电化学阻抗谱(EIS)通常通过等效电路模型(ECM)建模,参数通过非线性最小二乘法拟合获得。本文提出了两种基于Bode表示的新损失函数:log-B和log-BW。利用大规模生成的EIS数据集,评估了新旧损失函数在R²、卡方(χ²)、计算效率及预测元件值与真实值间平均绝对百分比误差(MAPE)方面的表现。统计分析表明,损失函数的选择显著影响收敛性、计算效率、拟合质量与MAPE。X²损失函数在多个拟合质量指标中表现最佳,是追求高拟合精度时的首选。而log-B虽略低质量,但计算速度约快1.4倍,且多数电路元件的MAPE更低,是高效建模的有力替代方案。该结果对大规模数据驱动应用(如机器学习模型训练)具有重要意义。

原文摘要 · Abstract (English)

Electrochemical impedance spectroscopy (EIS) data is typically modeled using an equivalent circuit model (ECM), with parameters obtained by minimizing a loss function via nonlinear least squares fitting. This paper introduces two new loss functions, log-B and log-BW, derived from the Bode representation of EIS. Using a large dataset of generated EIS data, the performance of proposed loss functions was evaluated alongside existing ones in terms of R2 scores, chi-squared, computational efficiency, and the mean absolute percentage error (MAPE) between the predicted component values and the original values. Statistical comparisons revealed that the choice of loss function impacts convergence, computational efficiency, quality of fit, and MAPE. Our analysis showed that X2 loss function (squared sum of residuals with proportional weighting) achieved the highest performance across multiple quality of fit metrics, making it the preferred choice when the quality of fit is the primary goal. On the other hand, log-B offered a slightly lower quality of fit while being approximately 1.4 times faster and producing lower MAPE for most circuit components, making log-B as a strong alternative. This is a critical factor for large-scale least squares fitting in data-driven applications, such as training machine learning models on extensive datasets or iterations.

电化学建模损失函数拟合优化数据驱动

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