arXiv:2510.10375cs.LGstat.ME2025-10被引 4

将标签矩阵直接因子分解,实现无需额外分类器的可解释分类。

Applying non-negative matrix factorization with covariates to label matrix for classification

  • 用协变量直接因子化标签矩阵,反推类属概率
  • 在MNIST等数据集上达到竞品水平准确率
  • 适合需要可解释性与半监督学习的场景

非负矩阵分解(NMF)广泛用于降维与可解释分析,但标准方法为无监督,无法直接利用类别标签。现有有监督或半监督扩展通常仅通过惩罚项或图约束引入标签,仍需外部分类器。我们提出NMF-LAB(用于标签矩阵的非负矩阵分解),将分类重新定义为非负矩阵三因子分解(tri-NMF)的逆问题。不同于联合NMF方法同时重构特征与标签,NMF-LAB直接以标签矩阵 $Y$ 为观测值,协变量 $A$ 作为给定的解释变量。这直接获得从协变量到标签的概率映射,区别于主要建模标签相关性或填补缺失标签的标签矩阵分解方法。该逆问题带来两大优势:(i) 类属概率可直接由因子分解得出,无需独立分类器;(ii) 协变量(包括基于核的相似性)可无缝整合,支持对未见样本的泛化预测。此外,未标记数据可编码为均匀分布,支持半监督学习。在多样数据集上的实验,从小型基准到大规模MNIST数据集,表明NMF-LAB在预测准确性、对噪声或不完整标签的鲁棒性以及高维问题可扩展性方面表现优异,同时保持可解释性。通过在tri-NMF框架中统一回归与分类,NMF-LAB为现代分类任务提供了一种新颖、概率化且可扩展的方法。

原文摘要 · Abstract (English)

Non-negative matrix factorization (NMF) is widely used for dimensionality reduction and interpretable analysis, but standard formulations are unsupervised and cannot directly exploit class labels. Existing supervised or semi-supervised extensions usually incorporate labels only via penalties or graph constraints, still requiring an external classifier. We propose \textit{NMF-LAB} (Non-negative Matrix Factorization for Label Matrix), which redefines classification as the inverse problem of non-negative matrix tri-factorization (tri-NMF). Unlike joint NMF methods, which reconstruct both features and labels, NMF-LAB directly factorizes the label matrix $Y$ as the observation, while covariates $A$ are treated as given explanatory variables. This yields a direct probabilistic mapping from covariates to labels, distinguishing our method from label-matrix factorization approaches that mainly model label correlations or impute missing labels. Our inversion offers two key advantages: (i) class-membership probabilities are obtained directly from the factorization without a separate classifier, and (ii) covariates, including kernel-based similarities, can be seamlessly integrated to generalize predictions to unseen samples. In addition, unlabeled data can be encoded as uniform distributions, supporting semi-supervised learning. Experiments on diverse datasets, from small-scale benchmarks to the large-scale MNIST dataset, demonstrate that NMF-LAB achieves competitive predictive accuracy, robustness to noisy or incomplete labels, and scalability to high-dimensional problems, while preserving interpretability. By unifying regression and classification within the tri-NMF framework, NMF-LAB provides a novel, probabilistic, and scalable approach to modern classification tasks.

非负矩阵分解可解释性半监督学习

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