UMATO通过分两阶段优化,更准确地保留高维数据的局部与全局结构。
UMATO: Bridging Local and Global Structures for Reliable Visual Analytics with Dimensionality Reduction
- 分两阶段优化:先用代表性点构建骨架布局,再投影剩余点保持区域特征
- 在全局结构保留上优于UMAP等主流方法,局部结构略有损失
- 对初始化和采样更稳定,适合需要可靠可视分析的场景
由于高维(HD)数据的固有复杂性,降维(DR)技术无法完全保留原始数据的所有结构特征。因此,现有方法通常只关注保留局部邻域结构(局部方法)或全局结构如点间距离(全局方法)。但两者都可能导致分析者对高维流形的整体排列产生误判:局部方法可能夸大单个流形的紧凑性,而全局方法可能无法分离原本在原始空间中明显分离的聚类。本文深入探讨了统一流形近似两阶段优化(UMATO)这一降维方法,该方法通过将UMAP的优化过程分为两个阶段,有效捕捉局部与全局结构。第一阶段利用代表性点构建骨架布局,第二阶段在投影其余点时保持区域特性。定量实验表明,UMATO在全局结构保留方面优于广泛使用的DR方法(包括UMAP),仅轻微牺牲局部结构;同时在可扩展性及对初始化和子采样的稳定性方面表现更优,提升了高维数据分析的可靠性。最后,通过案例研究和定性演示,验证了UMATO生成忠实投影的能力,显著增强基于降维的可视化分析的可信度。
原文摘要 · Abstract (English)
Due to the intrinsic complexity of high-dimensional (HD) data, dimensionality reduction (DR) techniques cannot preserve all the structural characteristics of the original data. Therefore, DR techniques focus on preserving either local neighborhood structures (local techniques) or global structures such as pairwise distances between points (global techniques). However, both approaches can mislead analysts to erroneous conclusions about the overall arrangement of manifolds in HD data. For example, local techniques may exaggerate the compactness of individual manifolds, while global techniques may fail to separate clusters that are well-separated in the original space. In this research, we provide a deeper insight into Uniform Manifold Approximation with Two-phase Optimization (UMATO), a DR technique that addresses this problem by effectively capturing local and global structures. UMATO achieves this by dividing the optimization process of UMAP into two phases. In the first phase, it constructs a skeletal layout using representative points, and in the second phase, it projects the remaining points while preserving the regional characteristics. Quantitative experiments validate that UMATO outperforms widely used DR techniques, including UMAP, in terms of global structure preservation, with a slight loss in local structure. We also confirm that UMATO outperforms baseline techniques in terms of scalability and stability against initialization and subsampling, making it more effective for reliable HD data analysis. Finally, we present a case study and a qualitative demonstration that highlight UMATO's effectiveness in generating faithful projections, enhancing the overall reliability of visual analytics using DR.
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