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Quantum Clustering Analysis: Minima of the Potential Energy Function

机译:量子聚类分析:潜在能量功能的最小值

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Quantum clustering (QC), is a data clustering algorithm based on quantum mechanics which is accomplished by substituting each point in a given dataset with a Gaussian. The width of the Gaussian is a ?? value, a hyper-parameter which can be manually defined and manipulated to suit the application. Numerical methods are used to find all the minima of the quantum potential as they correspond to cluster centers. Herein, we investigate the mathematical task of expressing and finding all the roots of the exponential polynomial corresponding to the minima of a two-dimensional quantum potential. This is an outstanding task because normally such expressions are impossible to solve analytically. However, we prove that if the points are all included in a square region of size ??, there is only one minimum. This bound is not only useful in the number of solutions to look for, by numerical means, it allows to to propose a new numerical approach “per block”. This technique decreases the number of particles (or samples) by approximating some groups of particles to weighted particles. These findings are not only useful to the quantum clustering problem but also for the exponential polynomials encountered in quantum chemistry, Solid-state Physics and other applications.
机译:量子聚类(QC)是基于量子力学的数据聚类算法,其通过用高斯代替给定数据集中的每个点来实现。高斯的宽度是一个?值,可以手动定义和操作的超参数以适应应用程序。数值方法用于找到昆腾电位的所有最小值,因为它们对应于集群中心。在此,我们研究了表达和找到对应于二维量子电位的最小值的指数多项式的所有根的数学任务。这是一个出色的任务,因为通常这些表达是不可能分析解决的。但是,我们证明,如果点数包含在大小的平方区域中,则只有一个最小值。这界限不仅在寻找的解决方案数量,通过数值手段可用,它允许提出新的数值方法“每个块”。该技术通过将一些颗粒组近似于加权颗粒来降低颗粒(或样品)的数量。这些发现不仅适用于量子聚类问题,而且还用于量子化学,固态物理和其他应用中遇到的指数多项式。

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