arXiv:2502.07746cs.LGmath.AT2025-02NeurIPS被引 3

用多重单纯复形分析高维点云,提升单细胞数据建模能力

HiPoNet: A Multi-View Simplicial Complex Network for High Dimensional Point-Cloud and Single-Cell Data

  • 构建多视角单纯复形,通过重加权特征生成不同数据视图
  • 在单细胞数据上超越现有图模型,分类与回归表现更优
  • 适合处理高维点云与空间转录组数据,可扩展至大规模队列

本文提出HiPoNet,一种端到端可微的神经网络,用于高维点云的回归、分类和表征学习。研究动机源于单细胞数据的超高维度(远超传统3D点云方法处理能力),且现代实验产生大量患者级数据集,需可扩展的高维点云分析模型。现有方法通常构建单一近邻图,丢失重要几何与拓扑信息。而HiPoNet将点云建模为一组高阶单纯复形,每个复形通过特征重加权生成,形成多个数据视图,有助于生物学中解耦不同细胞过程。随后利用单纯波变换提取多尺度特征,捕捉各视图的局部与全局拓扑结构。理论与实证均证明该框架能有效保留几何与拓扑信息。在点云级任务中,包括数据队列中的整体分类与回归,实验显示HiPoNet优于其他点云与图基模型。同时将其应用于空间转录组数据,以空间坐标作为一视图。总体而言,HiPoNet为高维数据分析提供了鲁棒且可扩展的解决方案。

原文摘要 · Abstract (English)

In this paper, we propose HiPoNet, an end-to-end differentiable neural network for regression, classification, and representation learning on high-dimensional point clouds. Our work is motivated by single-cell data which can have very high-dimensionality --exceeding the capabilities of existing methods for point clouds which are mostly tailored for 3D data. Moreover, modern single-cell and spatial experiments now yield entire cohorts of datasets (i.e., one data set for every patient), necessitating models that can process large, high-dimensional point-clouds at scale. Most current approaches build a single nearest-neighbor graph, discarding important geometric and topological information. In contrast, HiPoNet models the point-cloud as a set of higher-order simplicial complexes, with each particular complex being created using a reweighting of features. This method thus generates multiple constructs corresponding to different views of high-dimensional data, which in biology offers the possibility of disentangling distinct cellular processes. It then employs simplicial wavelet transforms to extract multiscale features, capturing both local and global topology from each view. We show that geometric and topological information is preserved in this framework both theoretically and empirically. We showcase the utility of HiPoNet on point-cloud level tasks, involving classification and regression of entire point-clouds in data cohorts. Experimentally, we find that HiPoNet outperforms other point-cloud and graph-based models on single-cell data. We also apply HiPoNet to spatial transcriptomics datasets using spatial coordinates as one of the views. Overall, HiPoNet offers a robust and scalable solution for high-dimensional data analysis.

点云分析单细胞数据单纯复形空间转录组

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