通过迭代筛选关键特征提升高维数据聚类效果
i-IF-Learn: Iterative Feature Selection and Unsupervised Learning for High-Dimensional Complex Data
- 设计自适应特征选择统计量,融合伪标签与无监督信号
- 在基因微阵列和单细胞测序数据上显著优于基线方法
- 适合需要精准特征筛选的生物信息学研究者
高维数据的无监督学习因无关或噪声特征干扰而困难,仅有少数称为有影响力特征的变量能有效定义聚类结构。恢复这些特征有助于数据解释与聚类。我们提出 i-IF-Learn,一种迭代式无监督框架,联合执行特征选择与聚类。核心创新是自适应特征选择统计量,有效结合伪标签监督与无监督信号,并根据中间标签可靠性动态调整,缓解迭代框架中常见的误差传播问题。利用低维嵌入(PCA 或拉普拉斯特征映射)后接 $k$-means,i-IF-Learn 同时输出有影响力特征子集与聚类标签。在基因微阵列和单细胞 RNA-seq 数据集上的数值实验表明,i-IF-Learn 显著超越经典与深度聚类基线。此外,使用所选有影响力特征作为预处理,可大幅提升 DeepCluster、UMAP 及 VAE 等下游深度模型性能,凸显定向特征选择的重要性与有效性。代码已公开于:[https://github.com/mc25800852/i_if_learn]。
原文摘要 · Abstract (English)
Unsupervised learning of high-dimensional data is challenging due to irrelevant or noisy features obscuring underlying structures. It's common that only a few features, called the influential features, meaningfully define the clusters. Recovering these influential features is helpful in data interpretation and clustering. We propose i-IF-Learn, an iterative unsupervised framework that jointly performs feature selection and clustering. Our core innovation is an adaptive feature selection statistic that effectively combines pseudo-label supervision with unsupervised signals, dynamically adjusting based on intermediate label reliability to mitigate error propagation common in iterative frameworks. Leveraging low-dimensional embeddings (PCA or Laplacian eigenmaps) followed by $k$-means, i-IF-Learn simultaneously outputs influential feature subset and clustering labels. Numerical experiments on gene microarray and single-cell RNA-seq datasets show that i-IF-Learn significantly surpasses classical and deep clustering baselines. Furthermore, using our selected influential features as preprocessing substantially enhances downstream deep models such as DeepCluster, UMAP, and VAE, highlighting the importance and effectiveness of targeted feature selection. Code is available at: [https://github.com/mc25800852/i_if_learn].
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