arXiv:2412.11631cs.LGstat.ML2024-12被引 3

用隐式区间自动优化参数,提升拓扑数据分析精度

A Mapper Algorithm with implicit intervals and its optimization

  • 通过隐式分配矩阵构建可学习的区间,避免手动调参
  • 在模拟和真实数据中均准确捕捉数据拓扑结构
  • 适合处理含不确定性的生物医学高维数据

Mapper算法是拓扑数据分析中可视化高维复杂数据的重要工具,广泛应用于生物医学研究。其输出为反映数据形状的组合图结构。然而,标准算法需手动调参、使用固定区间和重叠率,限制了性能。虽有多种变体尝试改进,但仍依赖人工调参,且多数基于确定性框架,忽略了数据固有的不确定性。本文提出一种新框架,通过隐式表示区间并引入隐藏分配矩阵,实现参数的自动优化。基于高斯混合模型(GMM)构建软化Mapper,支持灵活隐式区间构造。通过引入拓扑损失函数的随机梯度下降算法,优化模型参数。进一步以点估计形式定义映射图模式,验证方法鲁棒性。仿真与实际应用表明,该方法有效捕捉底层拓扑结构。在来自纽约西区退伍军人医疗中心脑库(MSBB)的RNA表达数据上的应用,成功识别出阿尔茨海默病的一个显著亚群。

原文摘要 · Abstract (English)

The Mapper algorithm is an essential tool for visualizing complex, high dimensional data in topology data analysis (TDA) and has been widely used in biomedical research. It outputs a combinatorial graph whose structure implies the shape of the data. However,the need for manual parameter tuning and fixed intervals, along with fixed overlapping ratios may impede the performance of the standard Mapper algorithm. Variants of the standard Mapper algorithms have been developed to address these limitations, yet most of them still require manual tuning of parameters. Additionally, many of these variants, including the standard version found in the literature, were built within a deterministic framework and overlooked the uncertainty inherent in the data. To relax these limitations, in this work, we introduce a novel framework that implicitly represents intervals through a hidden assignment matrix, enabling automatic parameter optimization via stochastic gradient descent. In this work, we develop a soft Mapper framework based on a Gaussian mixture model(GMM) for flexible and implicit interval construction. We further illustrate the robustness of the soft Mapper algorithm by introducing the Mapper graph mode as a point estimation for the output graph. Moreover, a stochastic gradient descent algorithm with a specific topological loss function is proposed for optimizing parameters in the model. Both simulation and application studies demonstrate its effectiveness in capturing the underlying topological structures. In addition, the application to an RNA expression dataset obtained from the Mount Sinai/JJ Peters VA Medical Center Brain Bank (MSBB) successfully identifies a distinct subgroup of Alzheimer's Disease.

拓扑数据分析高维数据隐式区间自适应优化

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