新方法让不规则科学数据直接对齐,保留细胞精度和功能信号。
Domain Elastic Transform: Bayesian Function Registration for High-Dimensional Scientific Data
- 把数据当函数处理,不用网格化也能对齐高维信号。
- 在MERFISH数据上拓扑保持率达92%,远超现有方法。
- 适合空间转录组、胚胎发育等复杂非刚性对齐任务。
非刚性配准传统上分为点集配准(对稀疏几何)和图像配准(对规则网格上的连续强度场),但这一划分制约了新兴科学数据如空间转录组的发展——这些数据是定义在不规则稀疏流形上的高维向量值函数(如基因表达)。研究者不得不在牺牲单细胞分辨率(通过体素化使用图像工具)或忽略关键功能信号(使用几何工具)之间二选一。为此,我们提出域弹性变换(DET),一种无网格的贝叶斯概率框架,统一几何与功能对齐。将数据视为不规则域上的函数,DET直接注册高维信号而无需分箱。在严格的贝叶斯框架下,将域形变建模为由联合空间-功能似然引导的弹性运动。该方法完全无监督且可扩展,利用特征敏感下采样处理大规模图谱。实验表明,DET在MERFISH数据上实现92%的拓扑保持率,显著优于当前最优的最优传输方法(<5%);并成功实现了跨发育阶段的全胚胎Stereo-seq图谱对齐,涵盖大规模与复杂非刚性生长。代码已开源(https://github.com/ohirose/bcpd,自2025年3月起)。
原文摘要 · Abstract (English)
Nonrigid registration is conventionally divided into point set registration, which aligns sparse geometries, and image registration, which aligns continuous intensity fields on regular grids. However, this dichotomy creates a critical bottleneck for emerging scientific data, such as spatial transcriptomics, where high-dimensional vector-valued functions, e.g., gene expression, are defined on irregular, sparse manifolds. Consequently, researchers currently face a forced choice: either sacrifice single-cell resolution via voxelization to utilize image-based tools, or ignore the critical functional signal to utilize geometric tools. To resolve this dilemma, we propose Domain Elastic Transform (DET), a grid-free probabilistic framework that unifies geometric and functional alignment. By treating data as functions on irregular domains, DET registers high-dimensional signals directly without binning. We formulate the problem within a rigorous Bayesian framework, modeling domain deformation as an elastic motion guided by a joint spatial-functional likelihood. The method is fully unsupervised and scalable, utilizing feature-sensitive downsampling to handle massive atlases. We demonstrate that DET achieves 92\% topological preservation on MERFISH data where state-of-the-art optimal transport methods struggle ($<$5\%), and successfully registers whole-embryo Stereo-seq atlases across developmental stages -- a task involving massive scale and complex nonrigid growth. The implementation of DET is available on {https://github.com/ohirose/bcpd} (since Mar, 2025).
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