TDM 30200: Project 9 — 2023

Start by reading in your train.csv data into tensors called x_train and y_train.

In the previous project, we estimated the parameters of our regression model using a closed form solution. What does this do? At the heart of the regression model, we are minimizing our loss. Typically, this loss is the mean squared error (MSE). The formula for MSE is:

$MSE = \frac{1}{n}\sum_{i=1}^{n}(Y_i - \hat{Y_i})^2$

Using our closed form solution formulas, we can calculate the parameters such that the MSE is minimized over the entirety of our training data. This time, we will use gradient descent to iteratively calculate our parameter estimates!

By plotting our data, we can see that our data is parabolic and follows the general form:

$y = \beta_{0} + \beta_{1} x + \beta_{2} x^{2}$

If we substitute this into our formula for MSE, we get:

$MSE = \frac{1}{n} \sum_{i=1}^{n} ( Y_{i} - ( \beta_{0} + \beta_{1} x_{i} + \beta_{2} x_{i}^{2} ) )^{2} = \frac{1}{n} \sum_{i=1}^{n} ( Y_{i} - \beta_{0} - \beta_{1} x_{i} - \beta_{2} x_{i}^{2} )^{2}$

The first step in gradient descent is to calculate the partial derivatives with respect to each of our parameters: $\beta_0$, $\beta_1$, and $\beta_2$.

These derivatives will let us know the slope of the tangent line for the given parameter with the given value. We can then use this slope to adjust our parameter, and eventually reach a parameter value that minimizes our loss function. Here is the calculus.

$\frac{\partial MSE}{\partial \beta_0} = \frac{\partial MSE}{\partial \hat{y_i}} * \frac{\partial \hat{y_i}}{\partial \beta_0}$

$\frac{\partial MSE}{\partial \hat{y_i}} = 1$

$\frac{\partial \hat{y_i}}{\beta_0} = 2(\beta_0 + \beta_1x + \beta_2x^2 - y_i)$

$\frac{\partial MSE}{\partial \beta_1} = \frac{\partial MSE}{\partial \hat{y_i}} * \frac{\partial \hat{y_i}}{\partial \beta_1}$

$\frac{\partial \hat{y_i}}{\partial \beta_1} = 2x(\beta_0 + \beta_1x + \beta_2x^2 - y_i)$

$\frac{\partial MSE}{\partial \beta_2} = \frac{\partial MSE}{\partial \hat{y_i}} * \frac{\partial \hat{y_i}}{\partial \beta_2}$

$\frac{\partial \hat{y_{i}}}{\partial \beta_{2}} = 2x^{2} (\beta_{0} + \beta_{1} x + \beta2_x^{2} - y_{i})$

If we clean things up a bit, we can see that the partial derivatives are:

$\frac{\partial MSE}{\partial \beta_0} = \frac{-2}{n}\sum_{i=1}^{n}(y_i - \beta_0 - \beta_1 - \beta_2x^2) = \frac{-2}{n}\sum_{i=1}^{n}(y_i - \hat{y_i})$

$\frac{\partial MSE}{\partial \beta_1} = \frac{-2}{n}\sum_{i=1}^{n}x(y_i - \beta_0 - \beta_1 - \beta_2x^2) = \frac{-2}{n}\sum_{i=1}^{n}x(y_i - \hat{y_i})$

$\frac{\partial MSE}{\partial \beta_{2}} = \frac{-2}{n}\sum_{i=1}^{n} x^{2} (y_{i} - \beta_{0} - \beta_{1} - \beta_{2} x^{2}) = \frac{-2}{n}\sum_{i=1}^{n} x^{2} (y_{i} - \hat{y_{i}})$

Pick 3 random values — 1 for each parameter, $\beta_0$, $\beta_1$, and $\beta_2$. For consistency, lets try 5, 4, and 3 respectively. These values will be our random "guess" as to the actual values of our parameters. Using those starting values, calculate the partial derivitive for each parameter.

Okay, once you have your 3 partial derivatives, we can update our 3 parameters using those values! Remember, those values are the slope of the tangent line for each of the parameters for the corresponding parameter value. If by increasing a parameter value we increase our MSE, then we want to decrease our parameter value as this will decrease our MSE. If by increasing a parameter value we decrease our MSE, then we want to increase our parameter value as this will decrease our MSE. This can be represented, for example, by the following:

$\beta_0 = \beta_0 - \frac{\partial MSE}{\partial \beta_0}$

This will however potentially result in too big of a "jump" in our parameter value — we may skip over the value of $\beta_0$ for which our MSE is minimized (this is no good). In order to "fix" this, we introduce a "learning rate", often shown as $\eta$. This learning rate can be tweaked to either ensure we don’t make too big of a "jump" by setting it to be small, or by making it a bit larger, increasing the speed at which we converge to a value of $\beta_0$ for which our MSE is minimized, at the risk of having the issue of over jumping.

$\beta_0 = \beta_0 - \eta \frac{\partial MSE}{\partial \beta_0}$

Update your 3 parameters (once) using a learning rate of $\eta = 0.0003$.

Woohoo! That was a lot of work for what ended up being some pretty straightforward calculations. The previous question represented a single epoch. You can define the number of epochs yourself, the idea is that hopefully after all of your epochs, the parameters will have converged, leaving your with the parameter estimates you can use to calculate predictions!

Write code that runs 10000 epochs, updating your parameters as it goes. In addition, include code in your loops that prints out the MSE every 100th epoch. Remember, we are trying to minimize our MSE — so we would expect that the MSE decreases each epoch.

Print the final values of your parameters — are the values close to the values you estimated in the previous project?

In addition, approximately how many epochs did it take for the MSE to stop decreasing by a significant amount? Based on that result, do you think we could have run fewer epochs?

You may be wondering think at this point that pytorch has been pretty worthless, and it still doesn’t make any sense how this simplifies anything. There was too much math, and we still performed a bunch of vector/tensor/matrix operations — what gives? Well, while this is all true, we haven’t utilized pytorch quite yet, but we are going to here soon.

First, let’s cover some common terminology you may run across. In each epoch, when we calculate the newest predictions for our most up-to-date parameter values, we are performing the forward pass.

There is a similarly named backward pass that refers (roughly) to the step where the partial derivatives are calculated! Great.

pytorch can perform the backward pass for you, automatically, from our MSE. For example, see the following.

Try it yourself!

Whoa! That is crazy powerful! That greatly reduces the amount of work we need to do. We didn’t use our partial derivative formulas anywhere, how cool!

But wait, there’s more! You know that step where we update our parameters at the end of each epoch? Think about a scenario where, instead of simply 3 parameters, we had 1000 parameters to update. That would involve a linear increase in the number of lines of code we would need to write — instead of just 3 lines of code to update our 3 parameters, we would need 1000! Not something most folks are interested in doing. pytorch to the rescue.

We can use an optimizer to perform the parameter updates, all at once! Update your code to utilize an optimizer to perform the parameter updates.

There are a variety of different optimizers available. For this project, let’s use the SGD optimizer. You can see the following example, directly from the linked webpage.

Here, you can just focus on the following lines.

The first line is the initialization of the optimizer. Here, you really just need to pass our initialized paramters (the betas) as a list to the first argument to optim.SGD. The second argument, lr, should just be our learning rate (0.0003).

Then, the second line replaces the code where the three parameters are updated.

You are probably starting to notice how pytorch can really simplify things. But wait, there’s more!

In each epoch, you are still calculating the loss manually. Not a huge deal, but it could be a lot of work, and MSE is not the only type of loss function. Use pytorch to create your MSE loss function, and use it instead of your manual calculation.

You can find torch.nn.MSELoss documentation here. Use the option reduction='mean' to get the mean MSE loss. Once you’ve created your loss function, simply pass your y_train as the first argument and your y_predictions as the second argument. Very cool! This has been a lot to work on — the main takeaways here should be that pytorch has the capability of greatly simplifying code (and calculus!) like the code used for the gradient descent algorithm. At the same time, pytorch is particular, the error messages aren’t extremely clear, and it definitely involves a learning curve.

We’ve barely scraped the surface of pytorch — there is (always) a lot more to learn! In the next project, we will provide you with the opportunity to utilize a GPU to speed up calculations, and SLURM to parallelize some costly calculations.