arXiv:2508.15932stat.MLcs.LG2025-08

让核方法的预测结果可解释,回归原特征线性组合

Interpretable Kernels

  • 将核方法解重构为原始特征的加权线性组合
  • 宽数据下可精确还原预测值,窄数据下提供最小二乘近似
  • 适用于多种带正则的核模型,提升AI可解释性

核方法广泛应用于非线性预测,如支持向量机和核岭回归。其共性在于:将样本映射到高维特征空间、使用岭正则化收缩系数、在观测空间求解对偶问题。现有方法的缺点是丧失了对原始特征的可解释性。本文提出,在特征数大于样本数时,核解可重新表达为原始特征矩阵的线性组合与特殊度量下的岭正则项;当特征数小于样本数时,通过最小二乘逼近核矩阵仍能实现可解释的线性组合。该结论适用于任意依赖线性组合且含系数正则化的模型,如核逻辑回归和核泊松回归。本工作推动了可解释人工智能的发展。

原文摘要 · Abstract (English)

The use of kernels for nonlinear prediction is widespread in machine learning. They have been popularized in support vector machines and used in kernel ridge regression, amongst others. Kernel methods share three aspects. First, instead of the original matrix of predictor variables or features, each observation is mapped into an enlarged feature space. Second, a ridge penalty term is used to shrink the coefficients on the features in the enlarged feature space. Third, the solution is not obtained in this enlarged feature space, but through solving a dual problem in the observation space. A major drawback in the present use of kernels is that the interpretation in terms of the original features is lost. In this paper, we argue that in the case of a wide matrix of features, where there are more features than observations, the kernel solution can be re-expressed in terms of a linear combination of the original matrix of features and a ridge penalty that involves a special metric. Consequently, the exact same predicted values can be obtained as a weighted linear combination of the features in the usual manner and thus can be interpreted. In the case where the number of features is less than the number of observations, we discuss a least-squares approximation of the kernel matrix that still allows the interpretation in terms of a linear combination. It is shown that these results hold for any function of a linear combination that minimizes the coefficients and has a ridge penalty on these coefficients, such as in kernel logistic regression and kernel Poisson regression. This work makes a contribution to interpretable artificial intelligence.

可解释性核方法线性组合

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