让单细胞生成模型的隐空间更符合欧氏几何,提升轨迹预测准确性。
Enforcing Latent Euclidean Geometry in Single-Cell VAEs for Manifold Interpolation
- 通过正则化使变分自编码器隐空间逼近欧氏几何
- 在真实单细胞数据上实现更平滑的细胞状态过渡重建
- 适合研究细胞发育轨迹或动态变化的生物学家
隐空间插值是深度生成模型中导航的重要工具。在单细胞RNA测序中,现有方法常将细胞状态变化建模为变分自编码器中的线性插值,并假设隐空间具有欧氏几何结构。然而,若未显式约束,隐空间的线性插值未必对应数据流形上的测地线路径,从而限制了对欧氏几何的依赖方法。本文提出FlatVI,一种针对离散似然变分自编码器的新型训练框架,通过正则化使隐流形趋向欧氏几何,特别适用于建模单细胞计数数据。该方法促使隐空间中的直线近似于解码后单细胞流形上的测地线插值,增强与假设欧氏隐空间的下游方法的兼容性。合成数据实验验证了方法的理论合理性;真实时间分辨单细胞数据应用表明,其显著提升了轨迹重构和流形插值效果。
原文摘要 · Abstract (English)
Latent space interpolations are a powerful tool for navigating deep generative models in applied settings. An example is single-cell RNA sequencing, where existing methods model cellular state transitions as latent space interpolations with variational autoencoders, often assuming linear shifts and Euclidean geometry. However, unless explicitly enforced, linear interpolations in the latent space may not correspond to geodesic paths on the data manifold, limiting methods that assume Euclidean geometry in the data representations. We introduce FlatVI, a novel training framework that regularises the latent manifold of discrete-likelihood variational autoencoders towards Euclidean geometry, specifically tailored for modelling single-cell count data. By encouraging straight lines in the latent space to approximate geodesic interpolations on the decoded single-cell manifold, FlatVI enhances compatibility with downstream approaches that assume Euclidean latent geometry. Experiments on synthetic data support the theoretical soundness of our approach, while applications to time-resolved single-cell RNA sequencing data demonstrate improved trajectory reconstruction and manifold interpolation.
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