协方差听起来像是跟方差相对应的概念,但是在我看来,正是“方差”这个概念可能一直或多或少的误导我对协方差的理解。在我看来,协方差只是在计算形式上长得很像方差,或者说是从方差演变而来,但实际意义还是有不小的差距。

1 方差

方差可以代表数据的分散程度,方差越小,数据点越集中于均值,方差越大,数据点距离均值的分散程度越大。首先回顾以下方差的定义。给定随机变量Covariance 协方差与协方差矩阵 - 图1和对应的概率密度函数Covariance 协方差与协方差矩阵 - 图2,定义为

Covariance 协方差与协方差矩阵 - 图3

具体对于连续型随机变量,方差计算方式如下:

Covariance 协方差与协方差矩阵 - 图4

而离散型性随机变量的计算方式则为

Covariance 协方差与协方差矩阵 - 图5

计算机接触到的都是离散变量,如果假设所有样本是相互独立的,方差可以通过以下方式计算:

Covariance 协方差与协方差矩阵 - 图6

其中Covariance 协方差与协方差矩阵 - 图7为样本均值,即
Covariance 协方差与协方差矩阵 - 图8

通过对方差的定义式 (1) 进行展开,可以得到方差另外一种计算方法:

Covariance 协方差与协方差矩阵 - 图9

2 协方差

协方差定义在两个随机变量上。随机变量Covariance 协方差与协方差矩阵 - 图10Covariance 协方差与协方差矩阵 - 图11的协方差计算方式如下:

Covariance 协方差与协方差矩阵 - 图12

其中Covariance 协方差与协方差矩阵 - 图13Covariance 协方差与协方差矩阵 - 图14样本的数量,Covariance 协方差与协方差矩阵 - 图15分别为随机变量Covariance 协方差与协方差矩阵 - 图16Covariance 协方差与协方差矩阵 - 图17的均值。

可以看到协方差的形式跟方差有点像。但协方差代表的是随机变量Covariance 协方差与协方差矩阵 - 图18Covariance 协方差与协方差矩阵 - 图19线性相关程度的大小。协方差可以为负数,协方差为负数时,绝对值越大代表Covariance 协方差与协方差矩阵 - 图20Covariance 协方差与协方差矩阵 - 图21负线性相关的程度越大;当协方差为正数时,绝对值越大代表Covariance 协方差与协方差矩阵 - 图22Covariance 协方差与协方差矩阵 - 图23正线性相关的程度越大

将协方差进行归一化,就得到了相关系数

Covariance 协方差与协方差矩阵 - 图24

Covariance 协方差与协方差矩阵 - 图25Covariance 协方差与协方差矩阵 - 图26时,代表Covariance 协方差与协方差矩阵 - 图27Covariance 协方差与协方差矩阵 - 图28成线性关系,即当Covariance 协方差与协方差矩阵 - 图29,有Covariance 协方差与协方差矩阵 - 图30;当Covariance 协方差与协方差矩阵 - 图31,有Covariance 协方差与协方差矩阵 - 图32

协方差与方差的关系
两个随机变量Covariance 协方差与协方差矩阵 - 图33的和的协方差为

Covariance 协方差与协方差矩阵 - 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以此可见方差与协方差的关系。

3 协方差矩阵

Covariance 协方差与协方差矩阵 - 图35为随机变量Covariance 协方差与协方差矩阵 - 图36协方差矩阵通常被记为Covariance 协方差与协方差矩阵 - 图37%22%20aria-hidden%3D%22true%22%3E%0A%20%3Cuse%20xlink%3Ahref%3D%22%23E1-MJMAIN-3A3%22%20x%3D%220%22%20y%3D%220%22%3E%3C%2Fuse%3E%0A%3C%2Fg%3E%0A%3C%2Fsvg%3E#card=math&code=%5CSigma&id=vje6i),是一个Covariance 协方差与协方差矩阵 - 图38矩阵。其中

Covariance 协方差与协方差矩阵 - 图39

其中Covariance 协方差与协方差矩阵 - 图40为 随机变量Covariance 协方差与协方差矩阵 - 图41的方差Covariance 协方差与协方差矩阵 - 图42Covariance 协方差与协方差矩阵 - 图43为随机变量Covariance 协方差与协方差矩阵 - 图44之间的协方差。

通过上面的定义可以看到协方差矩阵是个对称阵,故协方差矩阵可以进行特征分解。

害可以线性代数的语言来描述协方差矩阵。求Covariance 协方差与协方差矩阵 - 图45的协方差可以分为两步,对于Covariance 协方差与协方差矩阵 - 图46个样本中每一个样本Covariance 协方差与协方差矩阵 - 图47,求Covariance 协方差与协方差矩阵 - 图48,然后全部Covariance 协方差与协方差矩阵 - 图49个样本上求和。记变量Covariance 协方差与协方差矩阵 - 图50是一个列向量,记矩阵

Covariance 协方差与协方差矩阵 - 图51

其中Covariance 协方差与协方差矩阵 - 图52为样本均值,而Covariance 协方差与协方差矩阵 - 图53

进而协方差矩阵的计算方式

Covariance 协方差与协方差矩阵 - 图54

光这么看协方差矩阵感觉不知道它具体应该怎么用,需要结合案例。实际上,可以把协方差矩阵看作一个线性变换矩阵。协方差表征了两个随机变量之间的线性关系,而协方差矩阵则代表了两两随机变量之间的线性关系。如果将高维随机变量Covariance 协方差与协方差矩阵 - 图55某一样本点Covariance 协方差与协方差矩阵 - 图56通过协方差矩阵进行线性变换,得到Covariance 协方差与协方差矩阵 - 图57,此时Covariance 协方差与协方差矩阵 - 图58就服从于一个新的分布Covariance 协方差与协方差矩阵 - 图59

大多数情况下我们知道Covariance 协方差与协方差矩阵 - 图60的分布,希望反推Covariance 协方差与协方差矩阵 - 图61的分布,则可以计算Covariance 协方差与协方差矩阵 - 图62进而得到Covariance 协方差与协方差矩阵 - 图63的分布。具体示例见多元高斯分布