一种隐式区间映射算法及其优化。

IF 1.6 4区 生物学 Q4 BIOCHEMICAL RESEARCH METHODS
Journal of Computational Biology Pub Date : 2025-08-01 Epub Date: 2025-06-05 DOI:10.1089/cmb.2024.0919
Yuyang Tao, Shufei Ge
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引用次数: 0

摘要

Mapper算法是拓扑数据分析中复杂高维数据可视化的重要工具,在生物医学研究中得到了广泛的应用。它输出一个组合图,其结构编码数据的形状。然而,手动参数调优和固定(隐式)间隔的需要,以及固定的重叠比率,可能会阻碍标准Mapper算法的性能。已经开发了标准Mapper算法的变体来解决这些限制,但其中大多数仍然需要手动调优参数。此外,许多这些变体,包括在文献中发现的标准版本,都是在确定性框架内构建的,忽略了数据中固有的不确定性。为了放松这些限制,在这项工作中,我们引入了一个新的框架,通过一个隐藏的分配矩阵隐式地表示区间,通过随机梯度下降(SGD)实现自动参数优化。在这项工作中,我们开发了一个基于高斯混合模型的软映射器框架,用于柔性和隐式区间构造。通过引入Mapper图模式作为输出图的点估计,我们进一步说明了软Mapper算法的鲁棒性。此外,提出了一种具有特定拓扑损失函数的SGD算法来优化模型中的参数。仿真和应用研究都证明了该方法在捕获底层拓扑结构方面的有效性。此外,对来自西奈山/JJ Peters VA医学中心脑库的RNA表达数据集的应用成功地识别了阿尔茨海默病的一个不同亚群。我们的方法的实现可以在https://github.com/FarmerTao/Implicit-interval-Mapper.git上找到。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Mapper Algorithm with Implicit Intervals and Its Optimization.

The Mapper algorithm is an essential tool for visualizing complex, high-dimensional data in topological data analysis and has been widely used in biomedical research. It outputs a combinatorial graph whose structure encodes the shape of the data. However, the need for manual parameter tuning and fixed (implicit) 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 (SGD). In this work, we develop a soft Mapper framework based on a Gaussian mixture model 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 SGD 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 successfully identifies a distinct subgroup of Alzheimer's Disease. The implementation of our method is available at https://github.com/FarmerTao/Implicit-interval-Mapper.git.

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来源期刊
Journal of Computational Biology
Journal of Computational Biology 生物-计算机:跨学科应用
CiteScore
3.60
自引率
5.90%
发文量
113
审稿时长
6-12 weeks
期刊介绍: Journal of Computational Biology is the leading peer-reviewed journal in computational biology and bioinformatics, publishing in-depth statistical, mathematical, and computational analysis of methods, as well as their practical impact. Available only online, this is an essential journal for scientists and students who want to keep abreast of developments in bioinformatics. Journal of Computational Biology coverage includes: -Genomics -Mathematical modeling and simulation -Distributed and parallel biological computing -Designing biological databases -Pattern matching and pattern detection -Linking disparate databases and data -New tools for computational biology -Relational and object-oriented database technology for bioinformatics -Biological expert system design and use -Reasoning by analogy, hypothesis formation, and testing by machine -Management of biological databases
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