用机器学习解析高维数据流形,实现可解释的几何建模与异常检测。
Analytical Discovery of Manifold with Machine Learning
- 通过两阶段自编码框架,生成流形的参数化坐标和显式描述。
- 能解析曲率、法向量等几何属性,且在真实数据上验证了精度。
- 适合需要可解释性建模的科研与工业场景,如医学影像分析。
理解高维数据中的低维结构对可视化、解释与去噪至关重要。尽管流形学习技术不断进步,但全局洞察不足和缺乏可解释的解析描述仍是核心挑战。本文提出GAMLA(基于自编码的全局解析流形学习)框架,采用两轮训练机制,在自编码框架内同时获得流形的特征表示与互补表示。特征表示以参数函数形式展开流形,提供全局坐标;互补表示则构建近似的显式流形描述,实现光滑流形的全局解析表达,进而可解析推导曲率、法向量等几何性质。二者联合分解整个隐空间,刻画流形周围的局部空间结构,显著提升异常检测与分类性能。在基准数据集与真实应用中,GAMLA展现出高效计算、高度可解释,并提供精确的几何与结构洞察。该框架弥合了数据驱动流形学习与解析几何之间的鸿沟,为探索复杂数据内在特性提供了通用工具。
原文摘要 · Abstract (English)
Understanding low-dimensional structures within high-dimensional data is crucial for visualization, interpretation, and denoising in complex datasets. Despite the advancements in manifold learning techniques, key challenges-such as limited global insight and the lack of interpretable analytical descriptions-remain unresolved. In this work, we introduce a novel framework, GAMLA (Global Analytical Manifold Learning using Auto-encoding). GAMLA employs a two-round training process within an auto-encoding framework to derive both character and complementary representations for the underlying manifold. With the character representation, the manifold is represented by a parametric function which unfold the manifold to provide a global coordinate. While with the complementary representation, an approximate explicit manifold description is developed, offering a global and analytical representation of smooth manifolds underlying high-dimensional datasets. This enables the analytical derivation of geometric properties such as curvature and normal vectors. Moreover, we find the two representations together decompose the whole latent space and can thus characterize the local spatial structure surrounding the manifold, proving particularly effective in anomaly detection and categorization. Through extensive experiments on benchmark datasets and real-world applications, GAMLA demonstrates its ability to achieve computational efficiency and interpretability while providing precise geometric and structural insights. This framework bridges the gap between data-driven manifold learning and analytical geometry, presenting a versatile tool for exploring the intrinsic properties of complex data sets.
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