A ray casting method for the computation of the area of feasible solutions for multicomponent systems: Theory, applications and FACPACK-implementation.

A ray casting method for the computation of the area of feasible solutions for multicomponent systems: Theory, applications and FACPACK-implementation.
复制标题

用于计算多组分系统可行解面积的射线投射方法:理论、应用和 FACPACK 实现

DOI:
10.1016/j.aca.2016.11.069
复制
发表时间:
2017
影响因子:
6.2
通讯作者:
K. Neymeyr
K. Neymeyr
中科院分区:
化学1区
文献类型:
--
作者:
M. Sawall;K. Neymeyr

文献摘要

参考文献

被引文献

相似文献

多变量曲线分解方法存在解的非唯一性。可能的非负解的集合可以用所谓的可行解区域(Area of Feasible Solutions,AFS)来表示。一个s-分量系统的AFS是一个有界(s-1)维集合。AFS的数值计算和几何构造对于两个和三个组分的系统是很好理解的,但是对于具有四个甚至更多组分的系统变得更加复杂。这项工作介绍了一种新的和强大的光线投射方法计算的AFS一般的S-分量系统。该算法从原点发射射线,并记录这些射线与AFS的交点。光线投射方法计算速度快,相对于噪声稳定,并且能够检测AFS集合的各种可能形状。该算法易于实现,测试各种三个和四个组件的数据集。
Multivariate curve resolution methods suffer from the non-uniqueness of the solutions. The set of possible nonnegative solutions can be represented by the so-called Area of Feasible Solutions (AFS). The AFS for an s-component system is a bounded (s− 1)-dimensional set. The numerical computation and the geometric construction of the AFS is well understood for two-and three-component systems but gets much more complicated for systems with four or even more components. This work introduces a new and robust ray casting method for the computation of the AFS for general s-component systems. The algorithm shoots rays from the origin and records the intersections of these rays with the AFS. The ray casting method is computationally fast, stable with respect to noise and is able to detect the various possible shapes of the AFS sets. The easily implementable algorithm is tested for various three-and four-component data sets.
使用袋装自建模曲线分辨率 (SMCR) 进行近红外成像数据分析
DOI: --
发表时间: 2007
期刊:
影响因子: --
作者:
山口英裕;入江正浩;松田建児;Hideyuki Shinzawa;Hideyuki Shinzawa;H. Shinzawa;H. Shinzawa;K. Awa;H. Shinzawa;Hideyuki Shinzawa;新澤英之;新澤英之
通讯作者: 新澤英之
DOI: 10.1002/cem.1273
发表时间: 2010
影响因子: 2.4
作者:
K. Neymeyr;M. Sawall;D. Hess
通讯作者: D. Hess
一种计算三分量系统可行解面积的快速多边形膨胀算法II:理论基础、逆多边形膨胀和FAC-PACK实现。
DOI: 10.1002/cem.2612
发表时间: 2014
影响因子: 2.4
作者:
M. Sawall;K. Neymeyr
通讯作者: K. Neymeyr
无模型多元曲线分辨率与基于模型的动力学相结合:算法和应用
DOI: 10.1002/cem.2463
发表时间: 2012
影响因子: 2.4
作者:
M. Sawall;A. Börner;C. Kubis;D. Selent;R. Ludwig;K. Neymeyr
通讯作者: K. Neymeyr
DOI: 10.1016/j.aca.2014.03.019
发表时间: 2014-05-27
影响因子: 6.2
作者:
Beyramysoltan, Samira;Abdollahi, Hamid;Rajko, Robert
通讯作者: Rajko, Robert