Matrix differentiation by a vector in Least Squares method












1












$begingroup$


In a book The Elements of
Statistical Learning
published by Springer we can find following statement:




We can write



$RSS(beta) = (mathbf{y}-mathbf{X}beta)^T(mathbf{y}-mathbf{X}beta)$



where $mathbf{X}$ is an $Ntimes p$ matrix with each row an input vector, and $mathbf{y}$ is an $N$-vector of the outputs in the training set. Differentiating w.r.t. $beta$ we get the normal equations



$mathbf{X}^T(mathbf{y}-mathbf{X}beta) = 0$




Questions



How do I formally derive the normal equations operating on matrix level calculations without diving into operating on scalar elements?



Is my Second attemp valid?



First attemp



Note: $beta$ is an $p$-vector. Let us assume that vectors are vertical matrixes.



As in The Matrix Cookbook (http://www.math.uwaterloo.ca/~hwolkowi//matrixcookbook.pdf) let us assume that
$partialmathbf{X}^T = (partialmathbf{X})^T$
and
$partial(mathbf{XY})=partial(mathbf{X})mathbf{Y}+mathbf{X}partial(mathbf{Y})$.



Let us differentiate with respect to $beta$ and observe that $partial (mathbf{y}-mathbf{X}beta)=-mathbf{X}$.



Now $partial RSS(beta)=(partial (mathbf{y}-mathbf{X}beta))^T(mathbf{y}-mathbf{X}beta)+(mathbf{y}-mathbf{X}beta)^T partial (mathbf{y}-mathbf{X}beta)$



Which gives us $partial RSS(beta)=-mathbf{X}^T (mathbf{y}-mathbf{X}beta)-(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$



At this point we find contradiction because dimensions are incompatible to perform summation. $mathbf{X}^T (mathbf{y}-mathbf{X}beta)$ is vertical $p$-vector, while $(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$ is horizontal $p$-vector.



Second attemp



If I assumed $partial(mathbf{X}^Tmathbf{Y})=partial(mathbf{X})^Tmathbf{Y}+(mathbf{X}^Tpartial(mathbf{Y}))^T$



I would get that
$partial RSS(beta)=-2mathbf{X}^T (mathbf{y}-mathbf{X}beta)$, which matches with the normal equations from the book.










share|cite|improve this question









$endgroup$








  • 1




    $begingroup$
    there must be a lot of examples to show the derivative of $|Y - Xbeta|^2$ with respect to $beta$... not index notation
    $endgroup$
    – user550103
    Dec 22 '18 at 21:39












  • $begingroup$
    The problem with your first attempt is that the product rule $$d(XY)=dX,Y+X,dY$$ applies, not to gradients, but to differentials (and to time derivatives). In your second attempt, the presumed rule only holds when $(X,Y)$ are vectors -- which, fortunately, they are. So there are problems with both approaches, but the 2nd is less problematic.
    $endgroup$
    – greg
    Dec 22 '18 at 21:54


















1












$begingroup$


In a book The Elements of
Statistical Learning
published by Springer we can find following statement:




We can write



$RSS(beta) = (mathbf{y}-mathbf{X}beta)^T(mathbf{y}-mathbf{X}beta)$



where $mathbf{X}$ is an $Ntimes p$ matrix with each row an input vector, and $mathbf{y}$ is an $N$-vector of the outputs in the training set. Differentiating w.r.t. $beta$ we get the normal equations



$mathbf{X}^T(mathbf{y}-mathbf{X}beta) = 0$




Questions



How do I formally derive the normal equations operating on matrix level calculations without diving into operating on scalar elements?



Is my Second attemp valid?



First attemp



Note: $beta$ is an $p$-vector. Let us assume that vectors are vertical matrixes.



As in The Matrix Cookbook (http://www.math.uwaterloo.ca/~hwolkowi//matrixcookbook.pdf) let us assume that
$partialmathbf{X}^T = (partialmathbf{X})^T$
and
$partial(mathbf{XY})=partial(mathbf{X})mathbf{Y}+mathbf{X}partial(mathbf{Y})$.



Let us differentiate with respect to $beta$ and observe that $partial (mathbf{y}-mathbf{X}beta)=-mathbf{X}$.



Now $partial RSS(beta)=(partial (mathbf{y}-mathbf{X}beta))^T(mathbf{y}-mathbf{X}beta)+(mathbf{y}-mathbf{X}beta)^T partial (mathbf{y}-mathbf{X}beta)$



Which gives us $partial RSS(beta)=-mathbf{X}^T (mathbf{y}-mathbf{X}beta)-(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$



At this point we find contradiction because dimensions are incompatible to perform summation. $mathbf{X}^T (mathbf{y}-mathbf{X}beta)$ is vertical $p$-vector, while $(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$ is horizontal $p$-vector.



Second attemp



If I assumed $partial(mathbf{X}^Tmathbf{Y})=partial(mathbf{X})^Tmathbf{Y}+(mathbf{X}^Tpartial(mathbf{Y}))^T$



I would get that
$partial RSS(beta)=-2mathbf{X}^T (mathbf{y}-mathbf{X}beta)$, which matches with the normal equations from the book.










share|cite|improve this question









$endgroup$








  • 1




    $begingroup$
    there must be a lot of examples to show the derivative of $|Y - Xbeta|^2$ with respect to $beta$... not index notation
    $endgroup$
    – user550103
    Dec 22 '18 at 21:39












  • $begingroup$
    The problem with your first attempt is that the product rule $$d(XY)=dX,Y+X,dY$$ applies, not to gradients, but to differentials (and to time derivatives). In your second attempt, the presumed rule only holds when $(X,Y)$ are vectors -- which, fortunately, they are. So there are problems with both approaches, but the 2nd is less problematic.
    $endgroup$
    – greg
    Dec 22 '18 at 21:54
















1












1








1





$begingroup$


In a book The Elements of
Statistical Learning
published by Springer we can find following statement:




We can write



$RSS(beta) = (mathbf{y}-mathbf{X}beta)^T(mathbf{y}-mathbf{X}beta)$



where $mathbf{X}$ is an $Ntimes p$ matrix with each row an input vector, and $mathbf{y}$ is an $N$-vector of the outputs in the training set. Differentiating w.r.t. $beta$ we get the normal equations



$mathbf{X}^T(mathbf{y}-mathbf{X}beta) = 0$




Questions



How do I formally derive the normal equations operating on matrix level calculations without diving into operating on scalar elements?



Is my Second attemp valid?



First attemp



Note: $beta$ is an $p$-vector. Let us assume that vectors are vertical matrixes.



As in The Matrix Cookbook (http://www.math.uwaterloo.ca/~hwolkowi//matrixcookbook.pdf) let us assume that
$partialmathbf{X}^T = (partialmathbf{X})^T$
and
$partial(mathbf{XY})=partial(mathbf{X})mathbf{Y}+mathbf{X}partial(mathbf{Y})$.



Let us differentiate with respect to $beta$ and observe that $partial (mathbf{y}-mathbf{X}beta)=-mathbf{X}$.



Now $partial RSS(beta)=(partial (mathbf{y}-mathbf{X}beta))^T(mathbf{y}-mathbf{X}beta)+(mathbf{y}-mathbf{X}beta)^T partial (mathbf{y}-mathbf{X}beta)$



Which gives us $partial RSS(beta)=-mathbf{X}^T (mathbf{y}-mathbf{X}beta)-(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$



At this point we find contradiction because dimensions are incompatible to perform summation. $mathbf{X}^T (mathbf{y}-mathbf{X}beta)$ is vertical $p$-vector, while $(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$ is horizontal $p$-vector.



Second attemp



If I assumed $partial(mathbf{X}^Tmathbf{Y})=partial(mathbf{X})^Tmathbf{Y}+(mathbf{X}^Tpartial(mathbf{Y}))^T$



I would get that
$partial RSS(beta)=-2mathbf{X}^T (mathbf{y}-mathbf{X}beta)$, which matches with the normal equations from the book.










share|cite|improve this question









$endgroup$




In a book The Elements of
Statistical Learning
published by Springer we can find following statement:




We can write



$RSS(beta) = (mathbf{y}-mathbf{X}beta)^T(mathbf{y}-mathbf{X}beta)$



where $mathbf{X}$ is an $Ntimes p$ matrix with each row an input vector, and $mathbf{y}$ is an $N$-vector of the outputs in the training set. Differentiating w.r.t. $beta$ we get the normal equations



$mathbf{X}^T(mathbf{y}-mathbf{X}beta) = 0$




Questions



How do I formally derive the normal equations operating on matrix level calculations without diving into operating on scalar elements?



Is my Second attemp valid?



First attemp



Note: $beta$ is an $p$-vector. Let us assume that vectors are vertical matrixes.



As in The Matrix Cookbook (http://www.math.uwaterloo.ca/~hwolkowi//matrixcookbook.pdf) let us assume that
$partialmathbf{X}^T = (partialmathbf{X})^T$
and
$partial(mathbf{XY})=partial(mathbf{X})mathbf{Y}+mathbf{X}partial(mathbf{Y})$.



Let us differentiate with respect to $beta$ and observe that $partial (mathbf{y}-mathbf{X}beta)=-mathbf{X}$.



Now $partial RSS(beta)=(partial (mathbf{y}-mathbf{X}beta))^T(mathbf{y}-mathbf{X}beta)+(mathbf{y}-mathbf{X}beta)^T partial (mathbf{y}-mathbf{X}beta)$



Which gives us $partial RSS(beta)=-mathbf{X}^T (mathbf{y}-mathbf{X}beta)-(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$



At this point we find contradiction because dimensions are incompatible to perform summation. $mathbf{X}^T (mathbf{y}-mathbf{X}beta)$ is vertical $p$-vector, while $(mathbf{X}^T (mathbf{y}-mathbf{X}beta))^T$ is horizontal $p$-vector.



Second attemp



If I assumed $partial(mathbf{X}^Tmathbf{Y})=partial(mathbf{X})^Tmathbf{Y}+(mathbf{X}^Tpartial(mathbf{Y}))^T$



I would get that
$partial RSS(beta)=-2mathbf{X}^T (mathbf{y}-mathbf{X}beta)$, which matches with the normal equations from the book.







calculus matrix-equations matrix-calculus






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asked Dec 22 '18 at 20:08









Andrzej GolonkaAndrzej Golonka

488




488








  • 1




    $begingroup$
    there must be a lot of examples to show the derivative of $|Y - Xbeta|^2$ with respect to $beta$... not index notation
    $endgroup$
    – user550103
    Dec 22 '18 at 21:39












  • $begingroup$
    The problem with your first attempt is that the product rule $$d(XY)=dX,Y+X,dY$$ applies, not to gradients, but to differentials (and to time derivatives). In your second attempt, the presumed rule only holds when $(X,Y)$ are vectors -- which, fortunately, they are. So there are problems with both approaches, but the 2nd is less problematic.
    $endgroup$
    – greg
    Dec 22 '18 at 21:54
















  • 1




    $begingroup$
    there must be a lot of examples to show the derivative of $|Y - Xbeta|^2$ with respect to $beta$... not index notation
    $endgroup$
    – user550103
    Dec 22 '18 at 21:39












  • $begingroup$
    The problem with your first attempt is that the product rule $$d(XY)=dX,Y+X,dY$$ applies, not to gradients, but to differentials (and to time derivatives). In your second attempt, the presumed rule only holds when $(X,Y)$ are vectors -- which, fortunately, they are. So there are problems with both approaches, but the 2nd is less problematic.
    $endgroup$
    – greg
    Dec 22 '18 at 21:54










1




1




$begingroup$
there must be a lot of examples to show the derivative of $|Y - Xbeta|^2$ with respect to $beta$... not index notation
$endgroup$
– user550103
Dec 22 '18 at 21:39






$begingroup$
there must be a lot of examples to show the derivative of $|Y - Xbeta|^2$ with respect to $beta$... not index notation
$endgroup$
– user550103
Dec 22 '18 at 21:39














$begingroup$
The problem with your first attempt is that the product rule $$d(XY)=dX,Y+X,dY$$ applies, not to gradients, but to differentials (and to time derivatives). In your second attempt, the presumed rule only holds when $(X,Y)$ are vectors -- which, fortunately, they are. So there are problems with both approaches, but the 2nd is less problematic.
$endgroup$
– greg
Dec 22 '18 at 21:54






$begingroup$
The problem with your first attempt is that the product rule $$d(XY)=dX,Y+X,dY$$ applies, not to gradients, but to differentials (and to time derivatives). In your second attempt, the presumed rule only holds when $(X,Y)$ are vectors -- which, fortunately, they are. So there are problems with both approaches, but the 2nd is less problematic.
$endgroup$
– greg
Dec 22 '18 at 21:54












1 Answer
1






active

oldest

votes


















1












$begingroup$

If you have not found an example, then here it goes.





Before we start deriving the gradient, some facts and notations for brevity:




  • Trace and Frobenius product relation $$leftlangle A, B Crightrangle={rm tr}(A^TBC) := A : B C$$

  • Cyclic properties of Trace/Frobenius product
    begin{align}
    A : B C
    &= BC : A \
    &= B^T A : C \
    &= {text{etc.}} cr
    end{align}



Let $f := left|y- Xbeta right|^2 = left(y- Xbeta right)^T left(y- Xbeta right) = y- Xbeta:y- Xbeta$.



Now, we can obtain the differential first, and then the gradient.
begin{align}
df
&= dleft( y- Xbeta:y- Xbeta right) \
&= 2left(y- Xbeta right) : -X dbeta \
&= -2X^Tleft(y- Xbetaright) : dbeta\
end{align}



Thus, the gradient is
begin{align}
frac{partial}{partial beta} left( left|y - X beta right|^2 right)= -2X^Tleft(y- Xbetaright).
end{align}






share|cite|improve this answer











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    active

    oldest

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    1












    $begingroup$

    If you have not found an example, then here it goes.





    Before we start deriving the gradient, some facts and notations for brevity:




    • Trace and Frobenius product relation $$leftlangle A, B Crightrangle={rm tr}(A^TBC) := A : B C$$

    • Cyclic properties of Trace/Frobenius product
      begin{align}
      A : B C
      &= BC : A \
      &= B^T A : C \
      &= {text{etc.}} cr
      end{align}



    Let $f := left|y- Xbeta right|^2 = left(y- Xbeta right)^T left(y- Xbeta right) = y- Xbeta:y- Xbeta$.



    Now, we can obtain the differential first, and then the gradient.
    begin{align}
    df
    &= dleft( y- Xbeta:y- Xbeta right) \
    &= 2left(y- Xbeta right) : -X dbeta \
    &= -2X^Tleft(y- Xbetaright) : dbeta\
    end{align}



    Thus, the gradient is
    begin{align}
    frac{partial}{partial beta} left( left|y - X beta right|^2 right)= -2X^Tleft(y- Xbetaright).
    end{align}






    share|cite|improve this answer











    $endgroup$


















      1












      $begingroup$

      If you have not found an example, then here it goes.





      Before we start deriving the gradient, some facts and notations for brevity:




      • Trace and Frobenius product relation $$leftlangle A, B Crightrangle={rm tr}(A^TBC) := A : B C$$

      • Cyclic properties of Trace/Frobenius product
        begin{align}
        A : B C
        &= BC : A \
        &= B^T A : C \
        &= {text{etc.}} cr
        end{align}



      Let $f := left|y- Xbeta right|^2 = left(y- Xbeta right)^T left(y- Xbeta right) = y- Xbeta:y- Xbeta$.



      Now, we can obtain the differential first, and then the gradient.
      begin{align}
      df
      &= dleft( y- Xbeta:y- Xbeta right) \
      &= 2left(y- Xbeta right) : -X dbeta \
      &= -2X^Tleft(y- Xbetaright) : dbeta\
      end{align}



      Thus, the gradient is
      begin{align}
      frac{partial}{partial beta} left( left|y - X beta right|^2 right)= -2X^Tleft(y- Xbetaright).
      end{align}






      share|cite|improve this answer











      $endgroup$
















        1












        1








        1





        $begingroup$

        If you have not found an example, then here it goes.





        Before we start deriving the gradient, some facts and notations for brevity:




        • Trace and Frobenius product relation $$leftlangle A, B Crightrangle={rm tr}(A^TBC) := A : B C$$

        • Cyclic properties of Trace/Frobenius product
          begin{align}
          A : B C
          &= BC : A \
          &= B^T A : C \
          &= {text{etc.}} cr
          end{align}



        Let $f := left|y- Xbeta right|^2 = left(y- Xbeta right)^T left(y- Xbeta right) = y- Xbeta:y- Xbeta$.



        Now, we can obtain the differential first, and then the gradient.
        begin{align}
        df
        &= dleft( y- Xbeta:y- Xbeta right) \
        &= 2left(y- Xbeta right) : -X dbeta \
        &= -2X^Tleft(y- Xbetaright) : dbeta\
        end{align}



        Thus, the gradient is
        begin{align}
        frac{partial}{partial beta} left( left|y - X beta right|^2 right)= -2X^Tleft(y- Xbetaright).
        end{align}






        share|cite|improve this answer











        $endgroup$



        If you have not found an example, then here it goes.





        Before we start deriving the gradient, some facts and notations for brevity:




        • Trace and Frobenius product relation $$leftlangle A, B Crightrangle={rm tr}(A^TBC) := A : B C$$

        • Cyclic properties of Trace/Frobenius product
          begin{align}
          A : B C
          &= BC : A \
          &= B^T A : C \
          &= {text{etc.}} cr
          end{align}



        Let $f := left|y- Xbeta right|^2 = left(y- Xbeta right)^T left(y- Xbeta right) = y- Xbeta:y- Xbeta$.



        Now, we can obtain the differential first, and then the gradient.
        begin{align}
        df
        &= dleft( y- Xbeta:y- Xbeta right) \
        &= 2left(y- Xbeta right) : -X dbeta \
        &= -2X^Tleft(y- Xbetaright) : dbeta\
        end{align}



        Thus, the gradient is
        begin{align}
        frac{partial}{partial beta} left( left|y - X beta right|^2 right)= -2X^Tleft(y- Xbetaright).
        end{align}







        share|cite|improve this answer














        share|cite|improve this answer



        share|cite|improve this answer








        answered Dec 23 '18 at 8:01


























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