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Bayesian image reconstruction with a hyperellipsoidal posterior in x-ray fiber diffraction

机译:X射线纤维衍射中具有超椭球后部的贝叶斯图像重建

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Abstract: The structure completion problem in x-ray fiber diffraction is addressed from a Bayesian perspective. The experimental data are sums of the squares of the amplitudes of particular sets of Fourier coefficients of the electron density. In addition, a part of the electron density. In addition, a part of the electron density is known. The image reconstruction problem is to estimate the missing part of the electron density. A Bayesian approach is taken in which the prior model for the image is based on the fact that it consists of atoms, i.e., the unknown electron density consists of separated sharp peaks. The posterior for the Fourier coefficients typically takes the form of an independent and identically distributed multivariate normal density restricted to the surface of a hypersphere. However, the electron density often exhibits symmetry, in which case, the Fourier coefficient components are not longer independent or identically distributed. A diagonalization process results in an independent multivariate normal probability density function, restricted to a hyperspherical surface. the analytical form for the mean of the posterior density function is derived. The mean can be expressed as a weighting function on the Fourier coefficients of the known part of the electron density. The weighting function for the hyperellipsoidal and hyperspherical cases are compared. !8
机译:摘要:从贝叶斯角度解决了x射线纤维衍射中的结构完成问题。实验数据是电子密度的特定傅立叶系数的特定集合的幅度平方的总和。另外,一部分电子密度。另外,电子密度的一部分是已知的。图像重建问题是估计电子密度的缺失部分。采用贝叶斯方法,其中图像的先验模型基于其由原子组成的事实,即未知电子密度由分离的尖峰组成。傅立叶系数的后验通常采用限于超球面的独立且分布均匀的多元法线密度的形式。但是,电子密度通常表现出对称性,在这种情况下,傅立叶系数分量不再独立或相同分布。对角化过程导致一个独立的多元正态概率密度函数,限于超球面。推导出后密度函数均值的解析形式。平均值可以表示为电子密度已知部分的傅立叶系数的加权函数。比较了椭圆形和超球形情况下的加权函数。 !8

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