论文标题

通过基于措施的riemannian歧管,冷冻EM 3D地图细化中的正则定向估计

Regularising orientation estimation in Cryo-EM 3D map refinement through measure-based lifting over Riemannian manifolds

论文作者

Diepeveen, Willem, Lellmann, Jan, Öktem, Ozan, Schönlieb, Carola-Bibiane

论文摘要

我们提出了一种基于衡量的椭圆形支持提升(ESL),这是由单个粒子低温 - 电子显微镜(Cryo-EM)中的联合3D地图重建和旋转估算之间的噪声和旋转估算之间的折衷的动机,这是一种基于措施的提升方案,一种基于措施的提升方案,用于正规化和近似平稳功能的全球效果超级效果超过riemannian riemann Simern。在最小化器上的唯一性假设下,我们显示了几个理论结果,特别是该方法的适当性和由于诱导的偏见相对于全局最小值而造成的误差。此外,我们使用开发的理论将基于措施的提升方案整合到一个交替的更新方法中,以进行联合均质3D地图重建和旋转估计,其中通常必须解决数以万计的多种流形值最小化问题,并且由于数据的高噪声水平,因此必须解决正则化。联合恢复方法用于通过使用冷冻EM数据进行数值实验来测试理论预测和算法性能。特别是,由于ESL的正则效应,诱导的偏见在经验上估计比全局优化更接近地面真相的旋转,即旋转更接近地面真相。

Motivated by the trade-off between noise-robustness and data-consistency for joint 3D map reconstruction and rotation estimation in single particle cryogenic-electron microscopy (Cryo-EM), we propose ellipsoidal support lifting (ESL), a measure-based lifting scheme for regularising and approximating the global minimiser of a smooth function over a Riemannian manifold. Under a uniqueness assumption on the minimiser we show several theoretical results, in particular well-posedness of the method and an error bound due to the induced bias with respect to the global minimiser. Additionally, we use the developed theory to integrate the measure-based lifting scheme into an alternating update method for joint homogeneous 3D map reconstruction and rotation estimation, where typically tens of thousands of manifold-valued minimisation problems have to be solved and where regularisation is necessary because of the high noise levels in the data. The joint recovery method is used to test both the theoretical predictions and algorithmic performance through numerical experiments with Cryo-EM data. In particular, the induced bias due to the regularising effect of ESL empirically estimates better rotations, i.e., rotations closer to the ground truth, than global optimisation would.

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