arXiv:2601.21656cs.LG2026-01被引 3

用先验网络实现表格数据一键聚类,无需调参、自动确定类别数。

TabClustPFN: A Prior-Fitted Network for Tabular Data Clustering

  • 基于先验拟合网络,一次前向传播完成聚类
  • 在合成数据和真实数据上均超越传统与深度聚类方法
  • 无需调参即可应对异构特征与复杂聚类结构,适合探索性分析

表格数据聚类因特征类型多样、生成机制各异且缺乏可迁移的归纳偏置而具有挑战性。近期,先验拟合网络(PFNs)在监督式表格学习中通过在广泛合成先验下近似贝叶斯推断,展现出强泛化能力。将此范式拓展至聚类面临非平凡挑战:聚类为无监督任务,输出空间具有组合性与置换不变性,且需推断簇数量。本文提出TabClustPFN,一种用于表格数据聚类的先验拟合网络,可对簇分配与簇基数进行联合贝叶斯推断。模型在从灵活聚类先验生成的合成数据上预训练后,可在单次前向传播中对未见数据集进行聚类,无需针对特定数据集重训练或超参数调优。该模型自然处理数值与分类特征混合情况,并适应多种聚类结构。在合成数据与精选真实世界表格基准上的实验表明,TabClustPFN优于经典、深度及近似聚类基线,在开箱即用的探索性场景中表现出强鲁棒性。代码已开源:https://github.com/Tianqi-Zhao/TabClustPFN。

原文摘要 · Abstract (English)

Clustering tabular data is a fundamental yet challenging problem due to heterogeneous feature types, diverse data-generating mechanisms, and the absence of transferable inductive biases across datasets. Prior-fitted networks (PFNs) have recently demonstrated strong generalization in supervised tabular learning by amortizing Bayesian inference under a broad synthetic prior. Extending this paradigm to clustering is nontrivial: clustering is unsupervised, admits a combinatorial and permutation-invariant output space, and requires inferring the number of clusters. We introduce TabClustPFN, a prior-fitted network for tabular data clustering that performs amortized Bayesian inference over both cluster assignments and cluster cardinality. Pretrained on synthetic datasets drawn from a flexible clustering prior, TabClustPFN clusters unseen datasets in a single forward pass, without dataset-specific retraining or hyperparameter tuning. The model naturally handles heterogeneous numerical and categorical features and adapts to a wide range of clustering structures. Experiments on synthetic data and curated real-world tabular benchmarks show that TabClustPFN outperforms classical, deep, and amortized clustering baselines, while exhibiting strong robustness in out-of-the-box exploratory settings. Code is available at https://github.com/Tianqi-Zhao/TabClustPFN.

表格聚类先验网络无监督学习自动聚类

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