arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 2012.04765stat.APcond-mat.mtrl-sci
收藏

多晶材料的贝叶斯推断

Bayesian Inference for Polycrystalline Materials

James Matuk, Oksana Chkrebtii, Stephen Niezgoda

摘要:

多晶材料,例如金属,由非均匀取向的晶体组成。所观察到的晶体取向被建模为来自取向分布函数(ODF)的样本,取向分布函数(ODF)决定了各种材料性质,因此对从业者非常感兴趣。观测由四元数组成,四元数是反映单晶取向和旋转的四维单位矢量。因此,ODF必须考虑已知的晶体对称性以及满足单位长度约束。非参数估计ODF的一种流行方法是对称化核密度估计。然而,这种方法的缺点包括难以定量解释结果,以及在量化的ODF的不确定性。我们建议使用对称宾汉分布的混合物作为一个灵活的参数ODF模型,推断混合物成分的数量,混合物的权重,以及基于晶体取向数据的尺度和位置参数。此外,我们的贝叶斯方法允许感兴趣的参数的结构化不确定性量化。我们讨论的采样方法的细节,并得出结论,分析各种方向的数据集,解释参数的利益,并与内核密度估计方法的比较。

英文摘要:

Polycrystalline materials, such as metals, are comprised of heterogeneously oriented crystals. Observed crystal orientations are modelled as a sample from an orientation distribution function (ODF), which determines a variety of material properties and is therefore of great interest to practitioners. Observations consist of quaternions, 4-dimensional unit vectors reflecting both orientation and rotation of a single crystal. Thus, an ODF must account for known crystal symmetries as well as satisfy the unit length constraint. A popular method for estimating ODFs non-parametrically is symmetrized kernel density estimation. However, disadvantages of this approach include difficulty in interpreting results quantitatively, as well as in quantifying uncertainty in the ODF. We propose to use a mixture of symmetric Bingham distributions as a flexible parametric ODF model, inferring the number of mixture components, the mixture weights, and scale and location parameters based on crystal orientation data. Furthermore, our Bayesian approach allows for structured uncertainty quantification of the parameters of interest. We discuss details of the sampling methodology and conclude with analyses of various orientation datasets, interpretations of parameters of interest, and comparison with kernel density estimation methods.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑