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I was trying to follow along with the derivation of the normal equations, and almost everything here makes sense. However, when it came to the differentiation, I got stuck at how one goes from $$S(\beta) = y^Ty-2\beta^TX^Ty + \beta^TX^TX\beta$$

to

$$-X^Ty+(X^TX)\beta=0$$

just by computing $\frac{\partial S(\beta)}{\partial \beta} = 0$. I'm not very familiar with matrix calculus but I do want to understand how each step in this derivation works and this is the main part I'm getting stuck on. I speculate that one can cancel $\beta^T$ from both terms because it's equated to 0, but I can't see how the $2$ drops off.

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2 Answers 2

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Take a look here https://en.wikipedia.org/wiki/Matrix_calculus for details on matrix calculus. In a nutshell, $ \beta ' X'X \beta$ is a quadratic form with a symmetric matrix $X'X$, hence $$ \frac{\partial \beta ' X'X \beta}{\partial \beta} = 2 X'X \beta, $$ and $\beta ' X'y$ is of the form $\beta ' a$, where $a$ is $p \times 1$ vector, hence $$ \frac{\partial \beta ' X'y}{\partial \beta} = X'y. $$

To prove these formulas just expand explicitly the expressions and take partial derivatives w.r.t. to each $\beta_j$. After that, return to a matrix representation and you'll get the result.

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We have: $$S(\beta+\delta \beta)-S(\beta)= -2 (\delta \beta)^T X^T y +(\delta \beta)^T X^T X \beta +\beta^T X^T X \delta \beta + (\delta \beta)^T X^T X \delta \beta$$ as $\beta^T X^T X \delta \beta$ is a $1 \times 1$ matrix we have: $$\beta^T X^T X \delta \beta = \left( \beta^T X^T X \delta \beta \right)^T$$

which give: $$S(\beta+\delta \beta)-S(\beta)= (\delta \beta)^T \left(-2X^T y +2 X^T X \beta \right)+O(\Vert \delta \beta \Vert^2)$$

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