## 10.4 $$\sum^m_{i=1}dist^2_{ij}=tr(\boldsymbol B)+mb_{jj}$$ [推导]: $$\begin{aligned} \sum^m_{i=1}dist^2_{ij}&= \sum^m_{i=1}b_{ii}+\sum^m_{i=1}b_{jj}-2\sum^m_{i=1}b_{ij}\\ &=tr(B)+mb_{jj} \end{aligned}​$$ ## 10.10 $$b_{ij}=-\frac{1}{2}(dist^2_{ij}-dist^2_{i\cdot}-dist^2_{\cdot j}+dist^2_{\cdot\cdot})$$ [推导]:由公式(10.3)可得, $$b_{ij}=-\frac{1}{2}(dist^2_{ij}-b_{ii}-b_{jj})$$ 由公式(10.6)和(10.9)可得, $$\begin{aligned} tr(\boldsymbol B)&=\frac{1}{2m}\sum^m_{i=1}\sum^m_{j=1}dist^2_{ij}\\ &=\frac{m}{2}dist^2_{\cdot\cdot} \end{aligned}$$ 由公式(10.4)和(10.8)可得, $$\begin{aligned} b_{jj}&=\frac{1}{m}\sum^m_{i=1}dist^2_{ij}-\frac{1}{m}tr(\boldsymbol B)\\ &=dist^2_{\cdot j}-\frac{1}{2}dist^2_{\cdot\cdot} \end{aligned}$$ 由公式(10.5)和(10.7)可得, $$\begin{aligned} b_{ii}&=\frac{1}{m}\sum^m_{j=1}dist^2_{ij}-\frac{1}{m}tr(\boldsymbol B)\\ &=dist^2_{i\cdot}-\frac{1}{2}dist^2_{\cdot\cdot} \end{aligned}$$ 综合可得, $$\begin{aligned} b_{ij}&=-\frac{1}{2}(dist^2_{ij}-b_{ii}-b_{jj})\\ &=-\frac{1}{2}(dist^2_{ij}-dist^2_{i\cdot}+\frac{1}{2}dist^2_{\cdot\cdot}-dist^2_{\cdot j}+\frac{1}{2}dist^2_{\cdot\cdot})\\ &=-\frac{1}{2}(dist^2_{ij}-dist^2_{i\cdot}-dist^2_{\cdot j}+dist^2_{\cdot\cdot}) \end{aligned}$$ ## 10.14 $$\begin{aligned} \sum^m_{i=1}\left\| \sum^{d'}_{j=1}z_{ij}\boldsymbol{w}-\boldsymbol x_i \right\|^2_2&=\sum^m_{i=1}\boldsymbol z^{\mathrm{T}}_i\boldsymbol z_i-2\sum^m_{i=1}\boldsymbol z^{\mathrm{T}}_i\mathbf{W}^{\mathrm{T}}\boldsymbol x_i +\text { const }\\ &\propto -\operatorname{tr}(\mathbf{W}^{\mathrm{T}}(\sum^m_{i=1}\boldsymbol x_i\boldsymbol x^{\mathrm{T}}_i)\mathbf{W}) \end{aligned}$$ [推导]:已知$\mathbf{W}^{\mathrm{T}} \mathbf{W}=\mathbf{I},\boldsymbol z_i=\mathbf{W}^{\mathrm{T}} \boldsymbol x_i$,则 $$\begin{aligned} \sum^m_{i=1}\left\| \sum^{d'}_{j=1}z_{ij}\boldsymbol{w}_j-\boldsymbol x_i \right\|^2_2&=\sum^m_{i=1}\left\|\mathbf{W}\boldsymbol z_i-\boldsymbol x_i \right\|^2_2\\ &= \sum^m_{i=1} \left(\mathbf{W}\boldsymbol z_i-\boldsymbol x_i\right)^{\mathrm{T}}\left(\mathbf{W}\boldsymbol z_i-\boldsymbol x_i\right)\\ &= \sum^m_{i=1} \left(\boldsymbol z_i^{\mathrm{T}}\mathbf{W}^{\mathrm{T}}\mathbf{W}\boldsymbol z_i- \boldsymbol z_i^{\mathrm{T}}\mathbf{W}^{\mathrm{T}}\boldsymbol x_i-\boldsymbol x_i^{\mathrm{T}}\mathbf{W}\boldsymbol z_i+\boldsymbol x_i^{\mathrm{T}}\boldsymbol x_i \right)\\ &= \sum^m_{i=1} \left(\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_i- 2\boldsymbol z_i^{\mathrm{T}}\mathbf{W}^{\mathrm{T}}\boldsymbol x_i+\boldsymbol x_i^{\mathrm{T}}\boldsymbol x_i \right)\\ &=\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_i-2\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\mathbf{W}^{\mathrm{T}}\boldsymbol x_i+\sum^m_{i=1}\boldsymbol x^{\mathrm{T}}_i\boldsymbol x_i\\ &=\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_i-2\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\mathbf{W}^{\mathrm{T}}\boldsymbol x_i+\text { const }\\ &=\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_i-2\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_i+\text { const }\\ &=-\sum^m_{i=1}\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_i+\text { const }\\ &=-\sum^m_{i=1}\operatorname{tr}\left(\boldsymbol z_i\boldsymbol z_i^{\mathrm{T}}\right)+\text { const }\\ &=-\operatorname{tr}\left(\sum^m_{i=1}\boldsymbol z_i\boldsymbol z_i^{\mathrm{T}}\right)+\text { const }\\ &=-\operatorname{tr}\left(\sum^m_{i=1}\mathbf{W}^{\mathrm{T}} \boldsymbol x_i\boldsymbol x_i^{\mathrm{T}}\mathbf{W}\right)+\text { const }\\ &= -\operatorname{tr}\left(\mathbf{W}^{\mathrm{T}}\left(\sum^m_{i=1}\boldsymbol x_i\boldsymbol x^{\mathrm{T}}_i\right)\mathbf{W}\right)+\text { const }\\ &\propto-\operatorname{tr}\left(\mathbf{W}^{\mathrm{T}}\left(\sum^m_{i=1}\boldsymbol x_i\boldsymbol x^{\mathrm{T}}_i\right)\mathbf{W}\right)\\ \end{aligned}$$ ## 10.17 $$ \mathbf X\mathbf X^{\mathrm{T}} \boldsymbol w_i=\lambda _i\boldsymbol w_i $$ [推导]:由式(10.15)可知,主成分分析的优化目标为 $$\begin{aligned} &\min\limits_{\mathbf W} \quad-\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)\\ &s.t. \quad\mathbf W^{\mathrm{T}} \mathbf W=\mathbf I \end{aligned}$$ 其中,$\mathbf{X}=\left(\boldsymbol{x}_{1}, \boldsymbol{x}_{2}, \ldots, \boldsymbol{x}_{m}\right) \in \mathbb{R}^{d \times m},\mathbf{W}=\left(\boldsymbol{w}_{1}, \boldsymbol{w}_{2}, \ldots, \boldsymbol{w}_{d^{\prime}}\right) \in \mathbb{R}^{d \times d^{\prime}}$,$\mathbf{I} \in \mathbb{R}^{d^{\prime} \times d^{\prime}}$为单位矩阵。对于带矩阵约束的优化问题,根据[1]中讲述的方法可得此优化目标的拉格朗日函数为 $$\begin{aligned} L(\mathbf W,\Theta)&=-\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)+\langle \Theta,\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I\rangle \\ &=-\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)+\text { tr }\left(\Theta^{\mathrm{T}} (\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I)\right) \end{aligned}$$ 其中,$\Theta \in \mathbb{R}^{d^{\prime} \times d^{\prime}}$为拉格朗日乘子矩阵,其维度恒等于约束条件的维度,且其中的每个元素均为未知的拉格朗日乘子,$\langle \Theta,\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I\rangle = \text { tr }\left(\Theta^{\mathrm{T}} (\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I)\right)$为矩阵的内积[2]。若此时仅考虑约束$\boldsymbol{w}_i^{\mathrm{T}}\boldsymbol{w}_i=1(i=1,2,...,d^{\prime})$,则拉格朗日乘子矩阵$\Theta$此时为对角矩阵,令新的拉格朗日乘子矩阵为$\Lambda=diag(\lambda_1,\lambda_2,...,\lambda_{d^{\prime}})\in \mathbb{R}^{d^{\prime} \times d^{\prime}}$,则新的拉格朗日函数为 $$L(\mathbf W,\Lambda)=-\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)+\text { tr }\left(\Lambda^{\mathrm{T}} (\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I)\right) $$ 对拉格朗日函数关于$\mathbf{W}$求导可得 $$\begin{aligned} \cfrac{\partial L(\mathbf W,\Lambda)}{\partial \mathbf W}&=\cfrac{\partial}{\partial \mathbf W}\left[-\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)+\text { tr }\left(\Lambda^{\mathrm{T}} (\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I)\right)\right] \\ &=-\cfrac{\partial}{\partial \mathbf W}\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)+\cfrac{\partial}{\partial \mathbf W}\text { tr }\left(\Lambda^{\mathrm{T}} (\mathbf W^{\mathrm{T}} \mathbf W-\mathbf I)\right) \\ \end{aligned}$$ 由矩阵微分公式$\cfrac{\partial}{\partial \mathbf{X}} \text { tr }(\mathbf{X}^{\mathrm{T}} \mathbf{B} \mathbf{X})=\mathbf{B X}+\mathbf{B}^{\mathrm{T}} \mathbf{X},\cfrac{\partial}{\partial \mathbf{X}} \text { tr }\left(\mathbf{B X}^{\mathrm{T}} \mathbf{X}\right)=\mathbf{X B}^{\mathrm{T}} +\mathbf{X B}$可得 $$\begin{aligned} \cfrac{\partial L(\mathbf W,\Lambda)}{\partial \mathbf W}&=-2\mathbf X\mathbf X^{\mathrm{T}} \mathbf W+\mathbf{W}\Lambda+\mathbf{W}\Lambda^{\mathrm{T}} \\ &=-2\mathbf X\mathbf X^{\mathrm{T}} \mathbf W+\mathbf{W}(\Lambda+\Lambda^{\mathrm{T}} ) \\ &=-2\mathbf X\mathbf X^{\mathrm{T}} \mathbf W+2\mathbf{W}\Lambda \end{aligned}$$ 令$\cfrac{\partial L(\mathbf W,\Lambda)}{\partial \mathbf W}=\mathbf 0$可得 $$-2\mathbf X\mathbf X^{\mathrm{T}} \mathbf W+2\mathbf{W}\Lambda=\mathbf 0$$ $$\mathbf X\mathbf X^{\mathrm{T}} \mathbf W=\mathbf{W}\Lambda$$ 将$\mathbf W$和$\Lambda$展开可得 $$\mathbf X\mathbf X^{\mathrm{T}} \boldsymbol w_i=\lambda _i\boldsymbol w_i,\quad i=1,2,...,d^{\prime}$$ 显然,此式为矩阵特征值和特征向量的定义式,其中$\lambda_i,\boldsymbol w_i$分别表示矩阵$\mathbf X\mathbf X^{\mathrm{T}}$的特征值和单位特征向量。由于以上是仅考虑约束$\boldsymbol{w}_i^{\mathrm{T}}\boldsymbol{w}_i=1$所求得的结果,而$\boldsymbol{w}_i$还需满足约束$\boldsymbol{w}_{i}^{\mathrm{T}}\boldsymbol{w}_{j}=0(i\neq j)$。观察$\mathbf X\mathbf X^{\mathrm{T}}$的定义可知,$\mathbf X\mathbf X^{\mathrm{T}}$是一个实对称矩阵,实对称矩阵的不同特征值所对应的特征向量之间相互正交,同一特征值的不同特征向量可以通过施密特正交化使其变得正交,所以通过上式求得的$\boldsymbol w_i$可以同时满足约束$\boldsymbol{w}_i^{\mathrm{T}}\boldsymbol{w}_i=1,\boldsymbol{w}_{i}^{\mathrm{T}}\boldsymbol{w}_{j}=0(i\neq j)$。根据拉格朗日乘子法的原理可知,此时求得的结果仅是最优解的必要条件,而且$\mathbf X\mathbf X^{\mathrm{T}}$有$d$个相互正交的单位特征向量,所以还需要从这$d$个特征向量里找出$d^{\prime}$个能使得目标函数达到最优值的特征向量作为最优解。将$\mathbf X\mathbf X^{\mathrm{T}} \boldsymbol w_i=\lambda _i\boldsymbol w_i$代入目标函数可得 $$\begin{aligned} \min\limits_{\mathbf W}-\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W)&=\max\limits_{\mathbf W}\text { tr }(\mathbf W^{\mathrm{T}} \mathbf X\mathbf X^{\mathrm{T}} \mathbf W) \\ &=\max\limits_{\mathbf W}\sum_{i=1}^{d^{\prime}}\boldsymbol w_i^{\mathrm{T}}\mathbf X\mathbf X^{\mathrm{T}} \boldsymbol w_i \\ &=\max\limits_{\mathbf W}\sum_{i=1}^{d^{\prime}}\boldsymbol w_i^{\mathrm{T}}\cdot\lambda _i\boldsymbol w_i \\ &=\max\limits_{\mathbf W}\sum_{i=1}^{d^{\prime}}\lambda _i\boldsymbol w_i^{\mathrm{T}}\boldsymbol w_i \\ &=\max\limits_{\mathbf W}\sum_{i=1}^{d^{\prime}}\lambda _i \\ \end{aligned}$$ 显然,此时只需要令$\lambda_1,\lambda_2,...,\lambda_{d^{\prime}}$和$\boldsymbol{w}_{1}, \boldsymbol{w}_{2}, \ldots, \boldsymbol{w}_{d^{\prime}}$分别为矩阵$\mathbf X\mathbf X^{\mathrm{T}}$的前$d^{\prime}$个最大的特征值和单位特征向量就能使得目标函数达到最优值。 ## 10.24 $$\mathbf{K}\boldsymbol{\alpha}^j=\lambda_j\boldsymbol{\alpha}^j $$ [推导]:已知$\boldsymbol z_i=\phi(\boldsymbol x_i)$,类比$\mathbf{X}=\{\boldsymbol x_1,\boldsymbol x_2,...,\boldsymbol x_m\}$可以构造$\mathbf{Z}=\{\boldsymbol z_1,\boldsymbol z_2,...,\boldsymbol z_m\}$,所以公式(10.21)可变换为 $$\left(\sum_{i=1}^{m} \phi(\boldsymbol{x}_{i}) \phi(\boldsymbol{x}_{i})^{\mathrm{T}}\right)\boldsymbol w_j=\left(\sum_{i=1}^{m} \boldsymbol z_i \boldsymbol z_i^{\mathrm{T}}\right)\boldsymbol w_j=\mathbf{Z}\mathbf{Z}^{\mathrm{T}}\boldsymbol w_j=\lambda_j\boldsymbol w_j $$ 又由公式(10.22)可知 $$\boldsymbol w_j=\sum_{i=1}^{m} \phi\left(\boldsymbol{x}_{i}\right) \alpha_{i}^j=\sum_{i=1}^{m} \boldsymbol z_i \alpha_{i}^j=\mathbf{Z}\boldsymbol{\alpha}^j$$ 其中,$\boldsymbol{\alpha}^j=(\alpha_{1}^j;\alpha_{2}^j;...;\alpha_{m}^j)\in \mathbb{R}^{m \times 1} $。所以公式(10.21)可以进一步变换为 $$\mathbf{Z}\mathbf{Z}^{\mathrm{T}}\mathbf{Z}\boldsymbol{\alpha}^j=\lambda_j\mathbf{Z}\boldsymbol{\alpha}^j $$ $$\mathbf{Z}\mathbf{Z}^{\mathrm{T}}\mathbf{Z}\boldsymbol{\alpha}^j=\mathbf{Z}\lambda_j\boldsymbol{\alpha}^j $$ 由于此时的目标是要求出$\boldsymbol w_j$,也就等价于要求出满足上式的$\boldsymbol{\alpha}^j$,显然,此时满足$\mathbf{Z}^{\mathrm{T}}\mathbf{Z}\boldsymbol{\alpha}^j=\lambda_j\boldsymbol{\alpha}^j $的$\boldsymbol{\alpha}^j$一定满足上式,所以问题转化为了求解满足下式的$\boldsymbol{\alpha}^j$: $$\mathbf{Z}^{\mathrm{T}}\mathbf{Z}\boldsymbol{\alpha}^j=\lambda_j\boldsymbol{\alpha}^j $$ 令$\mathbf{Z}^{\mathrm{T}}\mathbf{Z}=\mathbf{K}$,那么上式可化为 $$\mathbf{K}\boldsymbol{\alpha}^j=\lambda_j\boldsymbol{\alpha}^j $$ 此式即为公式(10.24),其中矩阵$\mathbf{K}$的第i行第j列的元素$(\mathbf{K})_{ij}=\boldsymbol z_i^{\mathrm{T}}\boldsymbol z_j=\phi(\boldsymbol x_i)^{\mathrm{T}}\phi(\boldsymbol x_j)=\kappa\left(\boldsymbol{x}_{i}, \boldsymbol{x}_{j}\right)$ ## 10.28 $$w_{i j}=\frac{\sum\limits_{k \in Q_{i}} C_{j k}^{-1}}{\sum\limits_{l, s \in Q_{i}} C_{l s}^{-1}}$$ [推导]:由书中上下文可知,式(10.28)是如下优化问题的解。 $$\begin{aligned} \min _{\boldsymbol{w}_{1}, \boldsymbol{w}_{2}, \ldots, \boldsymbol{w}_{m}} & \sum_{i=1}^{m}\left\|\boldsymbol{x}_{i}-\sum_{j \in Q_{i}} w_{i j} \boldsymbol{x}_{j}\right\|_{2}^{2} \\ \text { s.t. } & \sum_{j \in Q_{i}} w_{i j}=1 \end{aligned}$$ 若令$\boldsymbol{x}_{i}\in \mathbb{R}^{d\times 1},Q_i=\{q_i^1,q_i^2,...,q_i^n\}$,则上述优化问题的目标函数可以进行如下恒等变形 $$\begin{aligned} \sum_{i=1}^{m}\left\|\boldsymbol{x}_{i}-\sum_{j \in Q_{i}} w_{i j} \boldsymbol{x}_{j}\right\|_{2}^{2}&=\sum_{i=1}^{m}\left\|\sum_{j \in Q_{i}} w_{i j} \boldsymbol{x}_{i}-\sum_{j \in Q_{i}} w_{i j} \boldsymbol{x}_{j}\right\|_{2}^{2} \\ &=\sum_{i=1}^{m}\left\|\sum_{j \in Q_{i}} w_{i j}(\boldsymbol{x}_{i}-\boldsymbol{x}_{j}) \right\|_{2}^{2} \\ &=\sum_{i=1}^{m}\left\|\mathbf{X}_i\boldsymbol{w_i} \right\|_{2}^{2} \\ &=\sum_{i=1}^{m}\boldsymbol{w_i}^{\mathrm{T}}\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i} \\ \end{aligned}$$ 其中$\boldsymbol{w_i}=(w_{iq_i^1},w_{iq_i^2},...,w_{iq_i^n})\in \mathbb{R}^{n\times 1}$,$\mathbf{X}_i=\left( \boldsymbol{x}_{i}-\boldsymbol{x}_{q_i^1}, \boldsymbol{x}_{i}-\boldsymbol{x}_{q_i^2},...,\boldsymbol{x}_{i}-\boldsymbol{x}_{q_i^n}\right)\in \mathbb{R}^{d\times n}$。同理,约束条件也可以进行如下恒等变形 $$\sum_{j \in Q_{i}} w_{i j}=\boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}=1 $$ 其中$\boldsymbol{I}=(1,1,...,1)\in \mathbb{R}^{n\times 1}$为$n$行1列的单位向量。因此,上述优化问题可以重写为 $$\begin{aligned} \min _{\boldsymbol{w}_{1}, \boldsymbol{w}_{2}, \ldots, \boldsymbol{w}_{m}} & \sum_{i=1}^{m}\boldsymbol{w_i}^{\mathrm{T}}\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i} \\ \text { s.t. } & \boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}=1 \end{aligned}$$ 显然,此问题为带约束的优化问题,因此可以考虑使用拉格朗日乘子法来进行求解。由拉格朗日乘子法可得此优化问题的拉格朗日函数为 $$L(\boldsymbol{w}_{1}, \boldsymbol{w}_{2}, \ldots, \boldsymbol{w}_{m},\lambda)=\sum_{i=1}^{m}\boldsymbol{w_i}^{\mathrm{T}}\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i}+\lambda\left(\boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}-1\right)$$ 对拉格朗日函数关于$\boldsymbol{w_i}$求偏导并令其等于0可得 $$\begin{aligned} \cfrac{\partial L(\boldsymbol{w}_{1}, \boldsymbol{w}_{2}, \ldots, \boldsymbol{w}_{m},\lambda)}{\partial \boldsymbol{w_i}}&=\cfrac{\partial \left[\sum_{i=1}^{m}\boldsymbol{w_i}^{\mathrm{T}}\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i}+\lambda\left(\boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}-1\right)\right]}{\partial \boldsymbol{w_i}}=0\\ &=\cfrac{\partial \left[\boldsymbol{w_i}^{\mathrm{T}}\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i}+\lambda\left(\boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}-1\right)\right]}{\partial \boldsymbol{w_i}}=0\\ \end{aligned}$$ 又由矩阵微分公式$\cfrac{\partial \boldsymbol{x}^{T} \mathbf{B} \boldsymbol{x}}{\partial \boldsymbol{x}}=\left(\mathbf{B}+\mathbf{B}^{\mathrm{T}}\right) \boldsymbol{x},\cfrac{\partial \boldsymbol{x}^{T} \boldsymbol{a}}{\partial \boldsymbol{x}}=\boldsymbol{a}$可得 $$\cfrac{\partial \left[\boldsymbol{w_i}^{\mathrm{T}}\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i}+\lambda\left(\boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}-1\right)\right]}{\partial \boldsymbol{w_i}}=2\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i}+\lambda \boldsymbol{I}=0$$ $$\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i\boldsymbol{w_i}=-\frac{1}{2}\lambda \boldsymbol{I}$$ 若$\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i$可逆,则 $$\boldsymbol{w_i}=-\frac{1}{2}\lambda(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}\boldsymbol{I}$$ 又因为$\boldsymbol{w_i}^{\mathrm{T}}\boldsymbol{I}=\boldsymbol{I}^{\mathrm{T}}\boldsymbol{w_i}=1$,则上式两边同时左乘$\boldsymbol{I}^{\mathrm{T}}$可得 $$\boldsymbol{I}^{\mathrm{T}}\boldsymbol{w_i}=-\frac{1}{2}\lambda\boldsymbol{I}^{\mathrm{T}}(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}\boldsymbol{I}=1$$ $$-\frac{1}{2}\lambda=\cfrac{1}{\boldsymbol{I}^{\mathrm{T}}(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}\boldsymbol{I}}$$ 将其代回$\boldsymbol{w_i}=-\frac{1}{2}\lambda(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}\boldsymbol{I}$即可解得 $$\boldsymbol{w_i}=\cfrac{(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}\boldsymbol{I}}{\boldsymbol{I}^{\mathrm{T}}(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}\boldsymbol{I}}$$ 若令矩阵$(\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i)^{-1}$第$j$行第$k$列的元素为$C_{jk}^{-1}$,则 $$w_{ij}=w_{i q_i^j}=\frac{\sum\limits_{k \in Q_{i}} C_{j k}^{-1}}{\sum\limits_{l, s \in Q_{i}} C_{l s}^{-1}}$$ 此即为公式(10.28)。显然,若$\mathbf{X}_i^{\mathrm{T}}\mathbf{X}_i$可逆,此优化问题即为凸优化问题,且此时用拉格朗日乘子法求得的$\boldsymbol{w_i}$为全局最优解。 ## 10.31 $$\begin{aligned} &\min\limits_{\boldsymbol Z}tr(\boldsymbol Z \boldsymbol M \boldsymbol Z^T)\\ &s.t. \boldsymbol Z^T\boldsymbol Z=\boldsymbol I. \end{aligned}$$ [推导]: $$\begin{aligned} \min\limits_{\boldsymbol Z}\sum^m_{i=1}\| \boldsymbol z_i-\sum_{j \in Q_i}w_{ij}\boldsymbol z_j \|^2_2&=\sum^m_{i=1}\|\boldsymbol Z\boldsymbol I_i-\boldsymbol Z\boldsymbol W_i\|^2_2\\ &=\sum^m_{i=1}\|\boldsymbol Z(\boldsymbol I_i-\boldsymbol W_i)\|^2_2\\ &=\sum^m_{i=1}(\boldsymbol Z(\boldsymbol I_i-\boldsymbol W_i))^T\boldsymbol Z(\boldsymbol I_i-\boldsymbol W_i)\\ &=\sum^m_{i=1}(\boldsymbol I_i-\boldsymbol W_i)^T\boldsymbol Z^T\boldsymbol Z(\boldsymbol I_i-\boldsymbol W_i)\\ &=tr((\boldsymbol I-\boldsymbol W)^T\boldsymbol Z^T\boldsymbol Z(\boldsymbol I-\boldsymbol W))\\ &=tr(\boldsymbol Z(\boldsymbol I-\boldsymbol W)(\boldsymbol I-\boldsymbol W)^T\boldsymbol Z^T)\\ &=tr(\boldsymbol Z\boldsymbol M\boldsymbol Z^T) \end{aligned}$$ 其中,$\boldsymbol M=(\boldsymbol I-\boldsymbol W)(\boldsymbol I-\boldsymbol W)^T$。 [解析]:约束条件$\boldsymbol Z^T\boldsymbol Z=\boldsymbol I$是为了得到标准化(标准正交空间)的低维数据。 ## 参考文献 [1][How to set up Lagrangian optimization with matrix constrains](https://math.stackexchange.com/questions/1104376/how-to-set-up-lagrangian-optimization-with-matrix-constrains)
[2][Frobenius inner product](https://en.wikipedia.org/wiki/Frobenius_inner_product)