论文标题
单粒子冷冻EM的关节角细化和重建
Joint Angular Refinement and Reconstruction for Single-Particle Cryo-EM
论文作者
论文摘要
单粒子冷冻电子显微镜(Cryo-EM)重建来自具有随机和未知方向的大型2D投影图像的生物分子的三维(3D)结构。单粒子冷冻管道中的关键步骤是3D细化,它通过完善每个投影的方向的估计来从初始近似体积中解析高分辨率3D结构。在这项工作中,我们提出了一种新的方法,以完善连续体的投影角度。我们在密度图和方向上共同提出优化问题。使用有效的乘数交替方向方法对密度图进行更新,而方向则通过半坐标梯度下降进行更新,我们为梯度提供了明确的派生。我们的方法消除了对方向空间进行精细离散化的要求,并消除了经典但计算昂贵的模板匹配步骤的要求。数值结果证明了与几个基线相比,我们的方法的可行性和性能。
Single-particle cryo-electron microscopy (cryo-EM) reconstructs the three-dimensional (3D) structure of bio-molecules from a large set of 2D projection images with random and unknown orientations. A crucial step in the single-particle cryo-EM pipeline is 3D refinement, which resolves a high-resolution 3D structure from an initial approximate volume by refining the estimation of the orientation of each projection. In this work, we propose a new approach that refines the projection angles on the continuum. We formulate the optimization problem over the density map and the orientations jointly. The density map is updated using the efficient alternating-direction method of multipliers, while the orientations are updated through a semi-coordinate-wise gradient descent for which we provide an explicit derivation of the gradient. Our method eliminates the requirement for a fine discretization of the orientation space and does away with the classical but computationally expensive template-matching step. Numerical results demonstrate the feasibility and performance of our approach compared to several baselines.