第3章 线性模型


文档摘要

3.5 $$\cfrac{\partial E{(w, b)}}{\partial w}=2\left(w \sum{i=1}^{m} x{i}^{2}-\sum{i=1}^{m}\left(y{i}-b\right) x{i}\right)$$ [推导]:已知$E{(w, b)}=\sum\limits{i=1}^{m}\left(y{i}-w x{i}-b\right)^{2}$,所以 $$\begin{aligned} \cfrac{\partial E{(w, b)}}{\partial w}&=\cfrac{\partial}{\partial w} \left[\sum{i=1}^{m}\left(y{i}-w x{i}-b\right)^{2}\right] \\ &=

3.5

\cfrac{\partial E_{(w, b)}}{\partial w}=2\left(w \sum_{i=1}^{m} x_{i}^{2}-\sum_{i=1}^{m}\left(y_{i}-b\right) x_{i}\right)

[推导]:已知E_{(w, b)}=\sum\limits_{i=1}^{m}\left(y_{i}-w x_{i}-b\right)^{2},所以

\begin{aligned} \cfrac{\partial E_{(w, b)}}{\partial w}&=\cfrac{\partial}{\partial w} \left[\sum_{i=1}^{m}\left(y_{i}-w x_{i}-b\right)^{2}\right] \\ &= \sum_{i=1}^{m}\cfrac{\partial}{\partial w} \left[\left(y_{i}-w x_{i}-b\right)^{2}\right] \\ &= \sum_{i=1}^{m}\left[2\cdot\left(y_{i}-w x_{i}-b\right)\cdot (-x_i)\right] \\ &= \sum_{i=1}^{m}\left[2\cdot\left(w x_{i}^2-y_i x_i +bx_i\right)\right] \\ &= 2\cdot\left(w\sum_{i=1}^{m} x_{i}^2-\sum_{i=1}^{m}y_i x_i +b\sum_{i=1}^{m}x_i\right) \\ &=2\left(w \sum_{i=1}^{m} x_{i}^{2}-\sum_{i=1}^{m}\left(y_{i}-b\right) x_{i}\right) \end{aligned}

3.6

\cfrac{\partial E_{(w, b)}}{\partial b}=2\left(m b-\sum_{i=1}^{m}\left(y_{i}-w x_{i}\right)\right)

[推导]:已知E_{(w, b)}=\sum\limits_{i=1}^{m}\left(y_{i}-w x_{i}-b\right)^{2},所以

\begin{aligned} \cfrac{\partial E_{(w, b)}}{\partial b}&=\cfrac{\partial}{\partial b} \left[\sum_{i=1}^{m}\left(y_{i}-w x_{i}-b\right)^{2}\right] \\ &=\sum_{i=1}^{m}\cfrac{\partial}{\partial b} \left[\left(y_{i}-w x_{i}-b\right)^{2}\right] \\ &=\sum_{i=1}^{m}\left[2\cdot\left(y_{i}-w x_{i}-b\right)\cdot (-1)\right] \\ &=\sum_{i=1}^{m}\left[2\cdot\left(b-y_{i}+w x_{i}\right)\right] \\ &=2\cdot\left[\sum_{i=1}^{m}b-\sum_{i=1}^{m}y_{i}+\sum_{i=1}^{m}w x_{i}\right] \\ &=2\left(m b-\sum_{i=1}^{m}\left(y_{i}-w x_{i}\right)\right) \end{aligned}

3.7

w=\cfrac{\sum_{i=1}^{m}y_i(x_i-\bar{x})}{\sum_{i=1}^{m}x_i^2-\cfrac{1}{m}(\sum_{i=1}^{m}x_i)^2}

[推导]:令公式(3.5)等于0

0 = w\sum_{i=1}^{m}x_i^2-\sum_{i=1}^{m}(y_i-b)x_i
w\sum_{i=1}^{m}x_i^2 = \sum_{i=1}^{m}y_ix_i-\sum_{i=1}^{m}bx_i

由于令公式(3.6)等于0可得b=\cfrac{1}{m}\sum_{i=1}^{m}(y_i-wx_i),又因为\cfrac{1}{m}\sum_{i=1}^{m}y_i=\bar{y}\cfrac{1}{m}\sum_{i=1}^{m}x_i=\bar{x},则b=\bar{y}-w\bar{x},代入上式可得

\begin{aligned} w\sum_{i=1}^{m}x_i^2 & = \sum_{i=1}^{m}y_ix_i-\sum_{i=1}^{m}(\bar{y}-w\bar{x})x_i \\ w\sum_{i=1}^{m}x_i^2 & = \sum_{i=1}^{m}y_ix_i-\bar{y}\sum_{i=1}^{m}x_i+w\bar{x}\sum_{i=1}^{m}x_i \\ w(\sum_{i=1}^{m}x_i^2-\bar{x}\sum_{i=1}^{m}x_i) & = \sum_{i=1}^{m}y_ix_i-\bar{y}\sum_{i=1}^{m}x_i \\ w & = \cfrac{\sum_{i=1}^{m}y_ix_i-\bar{y}\sum_{i=1}^{m}x_i}{\sum_{i=1}^{m}x_i^2-\bar{x}\sum_{i=1}^{m}x_i} \end{aligned}

由于\bar{y}\sum_{i=1}^{m}x_i=\cfrac{1}{m}\sum_{i=1}^{m}y_i\sum_{i=1}^{m}x_i=\bar{x}\sum_{i=1}^{m}y_i\bar{x}\sum_{i=1}^{m}x_i=\cfrac{1}{m}\sum_{i=1}^{m}x_i\sum_{i=1}^{m}x_i=\cfrac{1}{m}(\sum_{i=1}^{m}x_i)^2,代入上式即可得公式(3.7)

w=\cfrac{\sum_{i=1}^{m}y_i(x_i-\bar{x})}{\sum_{i=1}^{m}x_i^2-\cfrac{1}{m}(\sum_{i=1}^{m}x_i)^2}

如果要想用Python来实现上式的话,上式中的求和运算只能用循环来实现,但是如果我们能将上式给向量化,也就是转换成矩阵(向量)运算的话,那么我们就可以利用诸如NumPy这种专门加速矩阵运算的类库来进行编写。下面我们就尝试将上式进行向量化,将 \cfrac{1}{m}(\sum_{i=1}^{m}x_i)^2=\bar{x}\sum_{i=1}^{m}x_i 代入分母可得

\begin{aligned} w & = \cfrac{\sum_{i=1}^{m}y_i(x_i-\bar{x})}{\sum_{i=1}^{m}x_i^2-\bar{x}\sum_{i=1}^{m}x_i} \\ & = \cfrac{\sum_{i=1}^{m}(y_ix_i-y_i\bar{x})}{\sum_{i=1}^{m}(x_i^2-x_i\bar{x})} \end{aligned}

又因为 \bar{y}\sum_{i=1}^{m}x_i=\bar{x}\sum_{i=1}^{m}y_i=\sum_{i=1}^{m}\bar{y}x_i=\sum_{i=1}^{m}\bar{x}y_i=m\bar{x}\bar{y}=\sum_{i=1}^{m}\bar{x}\bar{y} \sum_{i=1}^{m}x_i\bar{x}=\bar{x}\sum_{i=1}^{m}x_i=\bar{x}\cdot m \cdot\frac{1}{m}\cdot\sum_{i=1}^{m}x_i=m\bar{x}^2=\sum_{i=1}^{m}\bar{x}^2,则上式可化为

\begin{aligned} w & = \cfrac{\sum_{i=1}^{m}(y_ix_i-y_i\bar{x}-x_i\bar{y}+\bar{x}\bar{y})}{\sum_{i=1}^{m}(x_i^2-x_i\bar{x}-x_i\bar{x}+\bar{x}^2)} \\ & = \cfrac{\sum_{i=1}^{m}(x_i-\bar{x})(y_i-\bar{y})}{\sum_{i=1}^{m}(x_i-\bar{x})^2} \end{aligned}

若令\boldsymbol{x}=(x_1,x_2,...,x_m)^T\boldsymbol{x}_{d}=(x_1-\bar{x},x_2-\bar{x},...,x_m-\bar{x})^T为去均值后的\boldsymbol{x}\boldsymbol{y}=(y_1,y_2,...,y_m)^T\boldsymbol{y}_{d}=(y_1-\bar{y},y_2-\bar{y},...,y_m-\bar{y})^T为去均值后的\boldsymbol{y},其中\boldsymbol{x}\boldsymbol{x}_{d}\boldsymbol{y}\boldsymbol{y}_{d}均为m行1列的列向量,代入上式可得

w=\cfrac{\boldsymbol{x}_{d}^T\boldsymbol{y}_{d}}{\boldsymbol{x}_d^T\boldsymbol{x}_{d}}

3.9

\hat{\boldsymbol{w}}^{*}=\underset{\hat{\boldsymbol{w}}}{\arg \min }(\boldsymbol{y}-\mathbf{X} \hat{\boldsymbol{w}})^{\mathrm{T}}(\boldsymbol{y}-\mathbf{X} \hat{\boldsymbol{w}})

[推导]:公式(3.4)是最小二乘法运用在一元线性回归上的情形,那么对于多元线性回归来说,我们可以类似得到

\begin{aligned} \left(\boldsymbol{w}^{*}, b^{*}\right)&=\underset{(\boldsymbol{w}, b)}{\arg \min } \sum_{i=1}^{m}\left(f\left(\boldsymbol{x}_{i}\right)-y_{i}\right)^{2} \\ &=\underset{(\boldsymbol{w}, b)}{\arg \min } \sum_{i=1}^{m}\left(y_{i}-f\left(\boldsymbol{x}_{i}\right)\right)^{2}\\ &=\underset{(\boldsymbol{w}, b)}{\arg \min } \sum_{i=1}^{m}\left(y_{i}-\left(\boldsymbol{w}^\mathrm{T}\boldsymbol{x}_{i}+b\right)\right)^{2} \end{aligned}

为便于讨论,我们令\hat{\boldsymbol{w}}=(\boldsymbol{w};b)=(w_1;...;w_d;b)\in\mathbb{R}^{(d+1)\times 1},\hat{\boldsymbol{x}}_i=(x_{i1};...;x_{id};1)\in\mathbb{R}^{(d+1)\times 1},那么上式可以简化为

\begin{aligned} \hat{\boldsymbol{w}}^{*}&=\underset{\hat{\boldsymbol{w}}}{\arg \min } \sum_{i=1}^{m}\left(y_{i}-\hat{\boldsymbol{w}}^\mathrm{T}\hat{\boldsymbol{x}}_{i}\right)^{2} \\ &=\underset{\hat{\boldsymbol{w}}}{\arg \min } \sum_{i=1}^{m}\left(y_{i}-\hat{\boldsymbol{x}}_{i}^\mathrm{T}\hat{\boldsymbol{w}}\right)^{2} \\ \end{aligned}

根据向量内积的定义可知,上式可以写成如下向量内积的形式

\begin{aligned} \hat{\boldsymbol{w}}^{*}&=\underset{\hat{\boldsymbol{w}}}{\arg \min } \begin{bmatrix} y_{1}-\hat{\boldsymbol{x}}_{1}^\mathrm{T}\hat{\boldsymbol{w}} & \cdots & y_{m}-\hat{\boldsymbol{x}}_{m}^\mathrm{T}\hat{\boldsymbol{w}} \\ \end{bmatrix} \begin{bmatrix} y_{1}-\hat{\boldsymbol{x}}_{1}^\mathrm{T}\hat{\boldsymbol{w}} \\ \vdots \\ y_{m}-\hat{\boldsymbol{x}}_{m}^\mathrm{T}\hat{\boldsymbol{w}} \end{bmatrix} \\ \end{aligned}

其中

\begin{aligned} \begin{bmatrix} y_{1}-\hat{\boldsymbol{x}}_{1}^\mathrm{T}\hat{\boldsymbol{w}} \\ \vdots \\ y_{m}-\hat{\boldsymbol{x}}_{m}^\mathrm{T}\hat{\boldsymbol{w}} \end{bmatrix}&=\begin{bmatrix} y_{1} \\ \vdots \\ y_{m} \end{bmatrix}-\begin{bmatrix} \hat{\boldsymbol{x}}_{1}^\mathrm{T}\hat{\boldsymbol{w}} \\ \vdots \\ \hat{\boldsymbol{x}}_{m}^\mathrm{T}\hat{\boldsymbol{w}} \end{bmatrix}\\ &=\boldsymbol{y}-\begin{bmatrix} \hat{\boldsymbol{x}}_{1}^\mathrm{T} \\ \vdots \\ \hat{\boldsymbol{x}}_{m}^\mathrm{T} \end{bmatrix}\cdot\hat{\boldsymbol{w}}\\ &=\boldsymbol{y}-\mathbf{X}\hat{\boldsymbol{w}} \end{aligned}

所以

\hat{\boldsymbol{w}}^{*}=\underset{\hat{\boldsymbol{w}}}{\arg \min }(\boldsymbol{y}-\mathbf{X} \hat{\boldsymbol{w}})^{\mathrm{T}}(\boldsymbol{y}-\mathbf{X} \hat{\boldsymbol{w}})

3.10

\cfrac{\partial E_{\hat{\boldsymbol w}}}{\partial \hat{\boldsymbol w}}=2\mathbf{X}^{\mathrm{T}}(\mathbf{X}\hat{\boldsymbol w}-\boldsymbol{y})

[推导]:将E_{\hat{\boldsymbol w}}=(\boldsymbol{y}-\mathbf{X}\hat{\boldsymbol w})^{\mathrm{T}}(\boldsymbol{y}-\mathbf{X}\hat{\boldsymbol w})展开可得

E_{\hat{\boldsymbol w}}= \boldsymbol{y}^{\mathrm{T}}\boldsymbol{y}-\boldsymbol{y}^{\mathrm{T}}\mathbf{X}\hat{\boldsymbol w}-\hat{\boldsymbol w}^{\mathrm{T}}\mathbf{X}^{\mathrm{T}}\boldsymbol{y}+\hat{\boldsymbol w}^{\mathrm{T}}\mathbf{X}^{\mathrm{T}}\mathbf{X}\hat{\boldsymbol w}

\hat{\boldsymbol w}求导可得

\cfrac{\partial E_{\hat{\boldsymbol w}}}{\partial \hat{\boldsymbol w}}= \cfrac{\partial \boldsymbol{y}^{\mathrm{T}}\boldsymbol{y}}{\partial \hat{\boldsymbol w}}-\cfrac{\partial \boldsymbol{y}^{\mathrm{T}}\mathbf{X}\hat{\boldsymbol w}}{\partial \hat{\boldsymbol w}}-\cfrac{\partial \hat{\boldsymbol w}^{\mathrm{T}}\mathbf{X}^{\mathrm{T}}\boldsymbol{y}}{\partial \hat{\boldsymbol w}}+\cfrac{\partial \hat{\boldsymbol w}^{\mathrm{T}}\mathbf{X}^{\mathrm{T}}\mathbf{X}\hat{\boldsymbol w}}{\partial \hat{\boldsymbol w}}

由矩阵微分公式\cfrac{\partial\boldsymbol{a}^{\mathrm{T}}\boldsymbol{x}}{\partial\boldsymbol{x}}=\cfrac{\partial\boldsymbol{x}^{\mathrm{T}}\boldsymbol{a}}{\partial\boldsymbol{x}}=\boldsymbol{a},\cfrac{\partial\boldsymbol{x}^{\mathrm{T}}\mathbf{A}\boldsymbol{x}}{\partial\boldsymbol{x}}=(\mathbf{A}+\mathbf{A}^{\mathrm{T}})\boldsymbol{x}可得

\cfrac{\partial E_{\hat{\boldsymbol w}}}{\partial \hat{\boldsymbol w}}= 0-\mathbf{X}^{\mathrm{T}}\boldsymbol{y}-\mathbf{X}^{\mathrm{T}}\boldsymbol{y}+(\mathbf{X}^{\mathrm{T}}\mathbf{X}+\mathbf{X}^{\mathrm{T}}\mathbf{X})\hat{\boldsymbol w}
\cfrac{\partial E_{\hat{\boldsymbol w}}}{\partial \hat{\boldsymbol w}}=2\mathbf{X}^{\mathrm{T}}(\mathbf{X}\hat{\boldsymbol w}-\boldsymbol{y})

3.27

\ell(\boldsymbol{\beta})=\sum_{i=1}^{m}(-y_i\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i+\ln(1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}))

[推导]:将公式(3.26)代入公式(3.25)可得

\ell(\boldsymbol{\beta})=\sum_{i=1}^{m}\ln\left(y_ip_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})+(1-y_i)p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)

其中 p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})=\cfrac{e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}}{1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}},p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})=\cfrac{1}{1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}} ,代入上式可得

\begin{aligned} \ell(\boldsymbol{\beta})&=\sum_{i=1}^{m}\ln\left(\cfrac{y_ie^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}+1-y_i}{1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}}\right) \\ &=\sum_{i=1}^{m}\left(\ln(y_ie^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}+1-y_i)-\ln(1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i})\right) \end{aligned}

由于 y_i =0或1,则

\ell(\boldsymbol{\beta}) = \begin{cases} \sum_{i=1}^{m}(-\ln(1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i})), & y_i=0 \\ \sum_{i=1}^{m}(\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i-\ln(1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i})), & y_i=1 \end{cases}

两式综合可得

\ell(\boldsymbol{\beta})=\sum_{i=1}^{m}\left(y_i\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i-\ln(1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i})\right)

由于此式仍为极大似然估计的似然函数,所以最大化似然函数等价于最小化似然函数的相反数,也即在似然函数前添加负号即可得公式(3.27)。值得一提的是,若将公式(3.26)这个似然项改写为p(y_i|\boldsymbol x_i;\boldsymbol w,b)=[p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})]^{y_i}[p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})]^{1-y_i},再将其代入公式(3.25)可得

\begin{aligned} \ell(\boldsymbol{\beta})&=\sum_{i=1}^{m}\ln\left([p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})]^{y_i}[p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})]^{1-y_i}\right) \\ &=\sum_{i=1}^{m}\left[y_i\ln\left(p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)+(1-y_i)\ln\left(p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)\right] \\ &=\sum_{i=1}^{m} \left \{ y_i\left[\ln\left(p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)-\ln\left(p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)\right]+\ln\left(p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)\right\} \\ &=\sum_{i=1}^{m}\left[y_i\ln\left(\cfrac{p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})}{p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})}\right)+\ln\left(p_0(\hat{\boldsymbol x}_i;\boldsymbol{\beta})\right)\right] \\ &=\sum_{i=1}^{m}\left[y_i\ln\left(e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}\right)+\ln\left(\cfrac{1}{1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i}}\right)\right] \\ &=\sum_{i=1}^{m}\left(y_i\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i-\ln(1+e^{\boldsymbol{\beta}^{\mathrm{T}}\hat{\boldsymbol x}_i})\right) \end{aligned}

显然,此种方式更易推导出公式(3.27)

3.30

\frac{\partial \ell(\boldsymbol{\beta})}{\partial \boldsymbol{\beta}}=-\sum_{i=1}^{m}\hat{\boldsymbol x}_i(y_i-p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta}))

[解析]:此式可以进行向量化,令p_1(\hat{\boldsymbol x}_i;\boldsymbol{\beta})=\hat{y}_i,代入上式得

\begin{aligned} \frac{\partial \ell(\boldsymbol{\beta})}{\partial \boldsymbol{\beta}} &= -\sum_{i=1}^{m}\hat{\boldsymbol x}_i(y_i-\hat{y}_i) \\ & =\sum_{i=1}^{m}\hat{\boldsymbol x}_i(\hat{y}_i-y_i) \\ & ={\mathbf{X}^{\mathrm{T}}}(\hat{\boldsymbol y}-\boldsymbol{y}) \\ & ={\mathbf{X}^{\mathrm{T}}}(p_1(\mathbf{X};\boldsymbol{\beta})-\boldsymbol{y}) \\ \end{aligned}

3.32

J=\cfrac{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol w}{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\Sigma}_{0}+\boldsymbol{\Sigma}_{1})\boldsymbol w}

[推导]:

\begin{aligned} J &= \cfrac{\|\boldsymbol w^{\mathrm{T}}\boldsymbol{\mu}_{0}-\boldsymbol w^{\mathrm{T}}\boldsymbol{\mu}_{1}\|_2^2}{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\Sigma}_{0}+\boldsymbol{\Sigma}_{1})\boldsymbol w} \\ &= \cfrac{\|(\boldsymbol w^{\mathrm{T}}\boldsymbol{\mu}_{0}-\boldsymbol w^{\mathrm{T}}\boldsymbol{\mu}_{1})^{\mathrm{T}}\|_2^2}{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\Sigma}_{0}+\boldsymbol{\Sigma}_{1})\boldsymbol w} \\ &= \cfrac{\|(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol w\|_2^2}{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\Sigma}_{0}+\boldsymbol{\Sigma}_{1})\boldsymbol w} \\ &= \cfrac{\left[(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol w\right]^{\mathrm{T}}(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol w}{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\Sigma}_{0}+\boldsymbol{\Sigma}_{1})\boldsymbol w} \\ &= \cfrac{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol w}{\boldsymbol w^{\mathrm{T}}(\boldsymbol{\Sigma}_{0}+\boldsymbol{\Sigma}_{1})\boldsymbol w} \end{aligned}

3.37

\mathbf{S}_b\boldsymbol w=\lambda\mathbf{S}_w\boldsymbol w

[推导]:由公式(3.36)可得拉格朗日函数为

L(\boldsymbol w,\lambda)=-\boldsymbol w^{\mathrm{T}}\mathbf{S}_b\boldsymbol w+\lambda(\boldsymbol w^{\mathrm{T}}\mathbf{S}_w\boldsymbol w-1)

\boldsymbol w求偏导可得

\begin{aligned} \cfrac{\partial L(\boldsymbol w,\lambda)}{\partial \boldsymbol w} &= -\cfrac{\partial(\boldsymbol w^{\mathrm{T}}\mathbf{S}_b\boldsymbol w)}{\partial \boldsymbol w}+\lambda \cfrac{\partial(\boldsymbol w^{\mathrm{T}}\mathbf{S}_w\boldsymbol w-1)}{\partial \boldsymbol w} \\ &= -(\mathbf{S}_b+\mathbf{S}_b^{\mathrm{T}})\boldsymbol w+\lambda(\mathbf{S}_w+\mathbf{S}_w^{\mathrm{T}})\boldsymbol w \end{aligned}

由于\mathbf{S}_b=\mathbf{S}_b^{\mathrm{T}},\mathbf{S}_w=\mathbf{S}_w^{\mathrm{T}},所以

\cfrac{\partial L(\boldsymbol w,\lambda)}{\partial \boldsymbol w} = -2\mathbf{S}_b\boldsymbol w+2\lambda\mathbf{S}_w\boldsymbol w

令上式等于0即可得

-2\mathbf{S}_b\boldsymbol w+2\lambda\mathbf{S}_w\boldsymbol w=0
\mathbf{S}_b\boldsymbol w=\lambda\mathbf{S}_w\boldsymbol w
(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol{w}=\lambda\mathbf{S}_w\boldsymbol w

若令(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})^{\mathrm{T}}\boldsymbol{w}=\gamma,则

\gamma(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})=\lambda\mathbf{S}_w\boldsymbol w
\boldsymbol{w}=\frac{\gamma}{\lambda}\mathbf{S}_{w}^{-1}(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})

由于最终要求解的\boldsymbol{w}不关心其大小,只关心其方向,所以其大小可以任意取值。由于\boldsymbol{\mu}_{0}\boldsymbol{\mu}_{1}的大小是固定的,所以\gamma这个标量的大小只受\boldsymbol{w}的大小影响,因此可以调整\boldsymbol{w}的大小使得\gamma=\lambda,西瓜书中所说的“不妨令\mathbf{S}_b\boldsymbol w=\lambda(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})”也等价于令\gamma=\lambda,因此,此时\frac{\gamma}{\lambda}=1,求解出的\boldsymbol{w}即为公式(3.39)

3.38

\mathbf{S}_b\boldsymbol{w}=\lambda(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})

[推导]:参见公式(3.37)

3.39

\boldsymbol{w}=\mathbf{S}_{w}^{-1}(\boldsymbol{\mu}_{0}-\boldsymbol{\mu}_{1})

[推导]:参见公式(3.37)

3.43

\begin{aligned} \mathbf{S}_b &= \mathbf{S}_t - \mathbf{S}_w \\ &= \sum_{i=1}^N m_i(\boldsymbol\mu_i-\boldsymbol\mu)(\boldsymbol\mu_i-\boldsymbol\mu)^{\mathrm{T}} \end{aligned}

[推导]:由公式(3.40)、公式(3.41)、公式(3.42)可得:

\begin{aligned} \mathbf{S}_b &= \mathbf{S}_t - \mathbf{S}_w \\ &= \sum_{i=1}^m(\boldsymbol x_i-\boldsymbol\mu)(\boldsymbol x_i-\boldsymbol\mu)^{\mathrm{T}}-\sum_{i=1}^N\sum_{\boldsymbol x\in X_i}(\boldsymbol x-\boldsymbol\mu_i)(\boldsymbol x-\boldsymbol\mu_i)^{\mathrm{T}} \\ &= \sum_{i=1}^N\left(\sum_{\boldsymbol x\in X_i}\left((\boldsymbol x-\boldsymbol\mu)(\boldsymbol x-\boldsymbol\mu)^{\mathrm{T}}-(\boldsymbol x-\boldsymbol\mu_i)(\boldsymbol x-\boldsymbol\mu_i)^{\mathrm{T}}\right)\right) \\ &= \sum_{i=1}^N\left(\sum_{\boldsymbol x\in X_i}\left((\boldsymbol x-\boldsymbol\mu)(\boldsymbol x^{\mathrm{T}}-\boldsymbol\mu^{\mathrm{T}})-(\boldsymbol x-\boldsymbol\mu_i)(\boldsymbol x^{\mathrm{T}}-\boldsymbol\mu_i^{\mathrm{T}})\right)\right) \\ &= \sum_{i=1}^N\left(\sum_{\boldsymbol x\in X_i}\left(\boldsymbol x\boldsymbol x^{\mathrm{T}} - \boldsymbol x\boldsymbol\mu^{\mathrm{T}}-\boldsymbol\mu\boldsymbol x^{\mathrm{T}}+\boldsymbol\mu\boldsymbol\mu^{\mathrm{T}}-\boldsymbol x\boldsymbol x^{\mathrm{T}}+\boldsymbol x\boldsymbol\mu_i^{\mathrm{T}}+\boldsymbol\mu_i\boldsymbol x^{\mathrm{T}}-\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}\right)\right) \\ &= \sum_{i=1}^N\left(\sum_{\boldsymbol x\in X_i}\left(- \boldsymbol x\boldsymbol\mu^{\mathrm{T}}-\boldsymbol\mu\boldsymbol x^{\mathrm{T}}+\boldsymbol\mu\boldsymbol\mu^{\mathrm{T}}+\boldsymbol x\boldsymbol\mu_i^{\mathrm{T}}+\boldsymbol\mu_i\boldsymbol x^{\mathrm{T}}-\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}\right)\right) \\ &= \sum_{i=1}^N\left(-\sum_{\boldsymbol x\in X_i}\boldsymbol x\boldsymbol\mu^{\mathrm{T}}-\sum_{\boldsymbol x\in X_i}\boldsymbol\mu\boldsymbol x^{\mathrm{T}}+\sum_{\boldsymbol x\in X_i}\boldsymbol\mu\boldsymbol\mu^{\mathrm{T}}+\sum_{\boldsymbol x\in X_i}\boldsymbol x\boldsymbol\mu_i^{\mathrm{T}}+\sum_{\boldsymbol x\in X_i}\boldsymbol\mu_i\boldsymbol x^{\mathrm{T}}-\sum_{\boldsymbol x\in X_i}\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}\right) \\ &= \sum_{i=1}^N\left(-m_i\boldsymbol\mu_i\boldsymbol\mu^{\mathrm{T}}-m_i\boldsymbol\mu\boldsymbol\mu_i^{\mathrm{T}}+m_i\boldsymbol\mu\boldsymbol\mu^{\mathrm{T}}+m_i\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}+m_i\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}-m_i\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}\right) \\ &= \sum_{i=1}^N\left(-m_i\boldsymbol\mu_i\boldsymbol\mu^{\mathrm{T}}-m_i\boldsymbol\mu\boldsymbol\mu_i^{\mathrm{T}}+m_i\boldsymbol\mu\boldsymbol\mu^{\mathrm{T}}+m_i\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}\right) \\ &= \sum_{i=1}^Nm_i\left(-\boldsymbol\mu_i\boldsymbol\mu^{\mathrm{T}}-\boldsymbol\mu\boldsymbol\mu_i^{\mathrm{T}}+\boldsymbol\mu\boldsymbol\mu^{\mathrm{T}}+\boldsymbol\mu_i\boldsymbol\mu_i^{\mathrm{T}}\right) \\ &= \sum_{i=1}^N m_i(\boldsymbol\mu_i-\boldsymbol\mu)(\boldsymbol\mu_i-\boldsymbol\mu)^{\mathrm{T}} \end{aligned}

3.44

\max\limits_{\mathbf{W}}\cfrac{ \operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_b \mathbf{W})}{\operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_w \mathbf{W})}

[解析]:此式是公式(3.35)的推广形式,证明如下:
\mathbf{W}=(\boldsymbol w_1,\boldsymbol w_2,...,\boldsymbol w_i,...,\boldsymbol w_{N-1})\in\mathbb{R}^{d\times(N-1)},其中\boldsymbol w_i\in\mathbb{R}^{d\times 1}d行1列的列向量,则

\left\{ \begin{aligned} \operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_b \mathbf{W})&=\sum_{i=1}^{N-1}\boldsymbol w_i^{\mathrm{T}}\mathbf{S}_b \boldsymbol w_i \\ \operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_w \mathbf{W})&=\sum_{i=1}^{N-1}\boldsymbol w_i^{\mathrm{T}}\mathbf{S}_w \boldsymbol w_i \end{aligned} \right.

所以公式(3.44)可变形为

\max\limits_{\mathbf{W}}\cfrac{ \sum_{i=1}^{N-1}\boldsymbol w_i^{\mathrm{T}}\mathbf{S}_b \boldsymbol w_i}{\sum_{i=1}^{N-1}\boldsymbol w_i^{\mathrm{T}}\mathbf{S}_w \boldsymbol w_i}

对比公式(3.35)易知上式即公式(3.35)的推广形式

3.45

\mathbf{S}_b\mathbf{W}=\lambda\mathbf{S}_w\mathbf{W}

[推导]:同公式(3.35)一样,我们在此处也固定公式(3.44)的分母为1,那么公式(3.44)此时等价于如下优化问题

\begin{array}{cl}\underset{\boldsymbol{w}}{\min} & -\operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_b \mathbf{W}) \\ \text { s.t. } & \operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_w \mathbf{W})=1\end{array}

根据拉格朗日乘子法可知,上述优化问题的拉格朗日函数为

L(\mathbf{W},\lambda)=-\operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_b \mathbf{W})+\lambda(\operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_w \mathbf{W})-1)

根据矩阵微分公式\cfrac{\partial}{\partial \mathbf{X}} \text { tr }(\mathbf{X}^{\mathrm{T}} \mathbf{B} \mathbf{X})=(\mathbf{B}+\mathbf{B}^{\mathrm{T}})\mathbf{X}对上式关于\mathbf{W}求偏导可得

\begin{aligned} \cfrac{\partial L(\mathbf{W},\lambda)}{\partial \mathbf{W}} &= -\cfrac{\partial\left(\operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_b \mathbf{W})\right)}{\partial \mathbf{W}}+\lambda \cfrac{\partial\left(\operatorname{tr}(\mathbf{W}^{\mathrm{T}}\mathbf{S}_w \mathbf{W})-1\right)}{\partial \mathbf{W}} \\ &= -(\mathbf{S}_b+\mathbf{S}_b^{\mathrm{T}})\mathbf{W}+\lambda(\mathbf{S}_w+\mathbf{S}_w^{\mathrm{T}})\mathbf{W} \end{aligned}

由于\mathbf{S}_b=\mathbf{S}_b^{\mathrm{T}},\mathbf{S}_w=\mathbf{S}_w^{\mathrm{T}},所以

\cfrac{\partial L(\mathbf{W},\lambda)}{\partial \mathbf{W}} = -2\mathbf{S}_b\mathbf{W}+2\lambda\mathbf{S}_w\mathbf{W}

令上式等于\mathbf{0}即可得

-2\mathbf{S}_b\mathbf{W}+2\lambda\mathbf{S}_w\mathbf{W}=\mathbf{0}
\mathbf{S}_b\mathbf{W}=\lambda\mathbf{S}_w\mathbf{W}

发布者: 作者: 转发
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