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This paper introduces the "turtle shell" method, an unsupervised probabilistic clustering algorithm that combines generative geometric insights with discriminative boundary estimation. By utilizing regularized mutual information and a mixture of Gaussian/uniform distributions, it effectively handles noise and irregular shapes in complex datasets like flow cytometry without requiring labeled data. The approach advances machine learning methodology by offering robust automatic component selection suitable for scientific imaging and analysis tasks.
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Turtle shell clustering: A mixture approach to discriminative clustering with applications to flow cytometry and other data

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arXiv:2604.23083v2 Announce Type: replace-cross Abstract: 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.

Abstract: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.

Machine Learning (stat.ML); Machine Learning (cs.LG); Methodology (stat.ME)

arXiv:2604.23083 [stat.ML]

(or arXiv:2604.23083v2 [stat.ML] for this version)

https://doi.org/10.48550/arXiv.2604.23083 Focus to learn more arXiv-issued DOI via DataCite

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