一种能自动确定聚类数并处理异常数据的新型无监督聚类方法
Turtle shell clustering: A mixture approach to discriminative clustering with applications to flow cytometry and other data
- 融合生成与判别思想,用混合高斯和均匀分布建模条件概率
- 通过正则化与合并步骤避免过拟合,可识别非线性聚类边界
- 适合处理噪声多、形状不规则的数据,如流式细胞术分析
本文提出一种完全无监督、概率化的判别聚类方法,基于正则化互信息目标函数,采用高斯与均匀分布的混合模型构建条件分布。通过引入正则项和类似可逆跳跃马尔可夫链蒙特卡洛的聚类合并步骤,有效防止过拟合。该方法称为“龟壳聚类”(Turtle Shell),可自动确定聚类数量,识别非线性边界,且在存在噪声或不规则形状时仍能捕捉直观聚类结构。我们在多种模拟与真实数据集上测试该方法,包括流式细胞术和图像分析中的数据,验证其有效性。
原文摘要 · Abstract (English)
Generative approaches to clustering provide information on geometric properties of clusters, whereas discriminative approaches provide boundaries between clusters. Ideas from both approaches are incorporated to present a fully unsupervised, probabilistic, and discriminative clustering method via a regularized mutual information objective function, wherein a mixture of mixtures of Gaussian and uniform distributions is used for formulation of the conditional model. Overfitting is avoided by the introduction of a regularizing term and a cluster merge step, similar to those applied in reversible jump Markov chain Monte Carlo methods used in Bayesian clustering. Consequently, the turtle shell method -- a fully unsupervised clustering method capable of estimating non-linear boundary lines, automatically selecting the number of components, and capturing intuitive clusters in the presence of data abnormalities such as noise and/or irregular cluster shapes -- is introduced. We test this method on various simulated and real datasets commonly explored in clustering research, and extend the analysis to datasets arising from flow cytometry experiments and image analysis.
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