论文标题
用于量化和重建无序系统的分层n点多层函数的信息内容
Information Content of Hierarchical n-Point Polytope Functions for Quantifying and Reconstructing Disordered Systems
论文作者
论文摘要
无序系统在物理,生物学和物质科学中无处不在。例子包括液体和玻璃状物质的液态和玻璃状状态,胶体,颗粒材料,多孔培养基,复合材料,合金,鸟类视网膜和肿瘤球体中的细胞包装,仅举几例。对此类无序系统的全面理解需要第一步,是基础复杂配置和微观结构的系统量化,建模和表示,这通常非常具有挑战性。最近,我们介绍了一组层次统计微结构描述符,即n点多型函数PN,这些函数源自标准的N点相关函数SN,并依次包含具有浓缩,可解释和表达方式的利益形态特征的高阶N点统计。在这里,我们通过基于优化的实现渲染研究了PN函数的信息内容。这是通过连续纳入最高n = 8的高阶PN功能并通过未约束的统计形态描述(例如,线性路径函数)定量评估重建系统的准确性来实现的。我们检查了具有不同几何和拓扑特征的各种代表性随机系统。我们发现,通常,依次合并了高阶PN函数,因此,这些描述符中编码的高阶形态信息会导致重建的精确度。但是,将更多的PN功能纳入重建也可以显着提高基础随机优化相关能量景观的复杂性和粗糙度,从而使数值很难收敛。
Disordered systems are ubiquitous in physical, biological and material sciences. Examples include liquid and glassy states of condensed matter, colloids, granular materials, porous media, composites, alloys, packings of cells in avian retina and tumor spheroids, to name but a few. A comprehensive understanding of such disordered systems requires, as the first step, systematic quantification, modeling and representation of the underlying complex configurations and microstructure, which is generally very challenging to achieve. Recently, we introduce a set of hierarchical statistical microstructural descriptors, i.e., the n-point polytope functions Pn, which are derived from the standard n-point correlation functions Sn, and successively include higher-order n-point statistics of the morphological features of interest in a concise, explainable, and expressive manner. Here we investigate the information content of the Pn functions via optimization-based realization rendering. This is achieved by successively incorporating higher order Pn functions up to n = 8 and quantitatively assessing the accuracy of the reconstructed systems via un-constrained statistical morphological descriptors (e.g., the lineal-path function). We examine a wide spectrum of representative random systems with distinct geometrical and topological features. We find that generally, successively incorporating higher order Pn functions, and thus, the higher-order morphological information encoded in these descriptors, leads to superior accuracy of the reconstructions. However, incorporating more Pn functions into the reconstruction also significantly increases the complexity and roughness of the associated energy landscape for the underlying stochastic optimization, making it difficult to convergence numerically.