arXiv:2603.28417cs.LGcs.AI2026-03

提出KGroups算法,用聚类加速生物数据特征选择,快821倍且效果不输多变量方法。

KGroups: A Versatile Univariate Max-Relevance Min-Redundancy Feature Selection Algorithm for High-dimensional Biological Data

  • 用聚类替代排序,实现快速单变量特征筛选
  • 在14个生物数据集上性能接近多变量方法,速度提升最高821倍
  • 可调参数,适合追求效率的生物信息学研究者

本文提出一种新的单变量滤波特征选择(FFS)算法KGroups。现有方法大多聚焦于相关性或冗余度的估计,虽有成效,但对新算法设计关注不足。主流方法分为两类:最大化相关性(Max-Rel,即KBest)和同时最大化相关性与最小化冗余(mRMR)。KBest为单变量方法,采用降序排序;mRMR为多变量方法,使用增量搜索。本文提出的KGroups是一种新型单变量mRMR算法,采用聚类进行特征选择。在14个高维生物基准数据集上的实验表明,KGroups性能与多变量mRMR相当,但速度最快可达其821倍。该算法可调节参数,可通过超参数调优进一步提升预测性能,而KBest和mRMR不具备此特性。实验显示KGroups优于KBest。

原文摘要 · Abstract (English)

This paper proposes a new univariate filter feature selection (FFS) algorithm called KGroups. The majority of work in the literature focuses on investigating the relevance or redundancy estimations of feature selection (FS) methods. This has shown promising results and a real improvement of FFS methods' predictive performance. However, limited efforts have been made to investigate alternative FFS algorithms. This raises the following question: how much of the FFS methods' predictive performance depends on the selection algorithm rather than the relevance or the redundancy estimations? The majority of FFS methods fall into two categories: relevance maximisation (Max-Rel, also known as KBest) or simultaneous relevance maximisation and redundancy minimisation (mRMR). KBest is a univariate FFS algorithm that employs sorting (descending) for selection. mRMR is a multivariate FFS algorithm that employs an incremental search algorithm for selection. In this paper, we propose a new univariate mRMR called KGroups that employs clustering for selection. Extensive experiments on 14 high-dimensional biological benchmark datasets showed that KGroups achieves similar predictive performance compared to multivariate mRMR while being up to 821 times faster. KGroups is parameterisable, which leaves room for further predictive performance improvement through hyperparameter finetuning, unlike mRMR and KBest. KGroups outperforms KBest.

特征选择生物信息高效算法聚类

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