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--- title: "AML: Dipping into PyTorch" source: https://www.jemoka.com/posts/kbhaml_dipping_into_pytorch/ tags: [writing, aml] --- Hello! Welcome to the series of guided code-along labs to introduce you to the basis of using the PyTorch library and its friends to create a neural network! We will dive deeply into Torch, focusing on how practically it can be used to build Neural Networks, as well as taking sideroads into how it works under the hood. Getting Started To get started, let’s open a colab and import Torch! import torch import torch.nn as nn The top line here import PyTorch generally, and the bottom line imports the Neural Network libraries. We will need both for today and into the future! Tensors and AutoGrad The most basic element we will be working with in Torch is something called a tensor. A tensor is a variable, which holds either a single number (scalar, or a single neuron) or a list of numbers (vector, or a layer of neurons), that can change. We will see what that means in a sec. Your First Tensors Everything that you are going to put through to PyTorch needs to be in a tensor. Therefore, we will need to get good at making them! As we discussed, a tensor can hold an number (scalar), a list (vector) or a (matrix). Here are a bunch of them! scalar_tensor = torch.tensor(2.2) vector_tensor = torch.tensor([1,3,4]) matrix_tensor = torch.tensor([[3,1,4],[1,7,4]]) You can perform operations on these tensors, like adding them together: torch.tensor(2.2) + torch.tensor(5.1) tensor(7.3000) Vector and Matrix tensors work like NumPy arrays. You can add them pairwise: torch.tensor([[3,1,4],[1,7,4]]) + torch.tensor([[0,2,1],[3,3,4]]) tensor([[ 3, 3, 5], [ 4, 10, 8]]) Connecting Tensors A single number can’t be a neural network! ([citation needed]) So, to be able to actually build networks, we have to connect tensors together. So, let’s create two tensors, each holding a neuron, and connect them together! Here are two lovely scalar tensors: var_1 = torch.tensor(3.0, requires_grad=True) var_2 = torch.tensor(4.0, requires_grad=True) var_1, var_2 (tensor(3., requires_grad=True), tensor(4., requires_grad=True)) We initialized two numbers, 3, which we named var_1, and 4, which we named var_2. The value requires_grad here tells PyTorch that these values can change, which we need it to do… very shortly! First, though, let’s create a latent variable. A “latent” value is a value that is the result of operations on other non-latent tensors—connecting the activation of some neurons together with a new one. For instance, if I multiplied our two tensors together, we can create our very own latent tensor. my_latent_value = var_1*var_2 my_latent_value tensor(12., grad_fn=<MulBackward0>) Evidently, \(3 \cdot 4 = 12\). Autograd Now! The beauty of PyTorch is that we can tell it to set any particular latent variable to \(0\) (Why only \(0\), and \(0\) specifically? Calculus; turns out this limitation doesn’t matter at all, as we will see), and it can update all of its constituent tensors with required_grad “True” such that the latent variable we told PyTorch to set to \(0\) indeed becomes \(0\)! This process is called “automatic gradient calculation” and “backpropagation.” (Big asterisks throughout, but bear with us. Find Matt/Jack if you want more.) To do this, we will leverage the help of a special optimization algorithm called stochastic gradient descent. Let’s get a box of this stuff first: from torch.optim import SGD SGD <class 'torch.optim.sgd.SGD'> Excellent. By the way, from the torch.optim package, there’s tonnes (like at least 20) different “optimizer” algorithms that all do the same thing (“take this latent variable to \(0\) by updating its constituents”) but do them in important different ways. We will explore some of them through this semester, and others you can Google for yourself by looking up “PyTorch optimizers”. Ok, to get this SGD thing up and spinning, we have to tell it every tensor it gets to play with in a list. For us, let’s ask PyTorch SGD to update var_1 and var_2 such that my_latent_value (which, remember, is var1 times var2) becomes a new value. Aside: learning rate Now, if you recall the neural network simulation, our model does not reach the desired outcome immediately. It does so in steps. The size of these steps are called the learning rate; the LARGER these steps are, the quicker you will get close to your desired solution, but where you end up getting maybe farther away from the actual solution; and vise versa. Think about the learning rate as a hoppy frog: a frog that can hop a yard at a time (“high learning rate”) can probably hit a target a mile away much quicker, but will have a hard time actually hitting the foot-wide target precisely; a frog that can hop an inch at a time (“low learning rate”) can probably hit a target a mile away…. years from now, but will definitely be precisely hitting the foot-wide target when it finally gets there. So what does “high” and “low” mean? Usually, we adjust learning rate by considering the number of decimal places it has. \(1\) is considered a high learning rate, \(1 \times 10^{-3} = 0.001\) as medium-ish learning rate, and \(1 \times 10^{-5}=0.00001\) as a small one. There are, however, no hard and fast rules about this and it is subjcet to experimentation. So, choose also an appropriate learning rate for our optimizer. I would usually start with \(3 \times 10^{-3}\) and go from there. In Python, we write that as 3e-3. So, let’s make a SGD, and give it var_1 and var_2 to play with, and set the learning rate to 3e-3: my_sgd = SGD([var_1, var_2], lr=3e-3) my_sgd SGD ( Parameter Group 0 dampening: 0 differentiable: False foreach: None lr: 0.003 maximize: False momentum: 0 nesterov: False weight_decay: 0 ) Wonderful. Don’t worry much about how many of these means for now; however, we will see it in action shortly. Now! Recall that we allowed my_sgd to mess with var_1 and var_2 to change the value of my_latent_value (the product of var_1 and var_2). Current, var_1 and var_2 carries the values of: var_1, var_2 (tensor(3., requires_grad=True), tensor(4., requires_grad=True)) And, of course, their product my_latent_value carries the value of: my_latent_value tensor(12., grad_fn=<MulBackward0>) What if we want my_latent_value to be… \(15\)? That sounds like a good number. Let’s ask our SGD algorithm to update var_1 and var_2 such that my_latent_value will be \(15\)! Waaait. I mentioned that the optimizers can only take things to \(0\). How could it take my_latent_value to \(15\) then? Recall! I said SGD takes a latent variable to \(0\). So, we can just build another latent variable such that, when my_latent_value is \(15\), our new latent variable will be \(0\), and then ask SGD optimize on that! What could that be… Well, the squared difference between \(15\) and my_latent_value is a good one. If my_latent_value is \(15\), the squared difference between it and \(15\) will be \(0\), as desired! So, similar to what we explored last semester, we use sum of squared difference as our loss because it will be able to account for errors of fit in both directions: a \(-4\) difference in predicted and actual output is just as bad as a \(+4\) difference. Turns out, the “objective” for SGD optimization, the thing that we ask SGD to take to \(0\) on our behalf by updating the parameters we allowed it to update (again, they are var_1 and var_2 in our case here), is indeed the loss value of our model. Sum of squared errors is, therefore, called our loss function for this toy problem. So let’s do it! Let’s create a tensor our loss: loss = (15-my_latent_value)**2 loss tensor(9., grad_fn=<PowBackward0>) Nice. So our loss is at \(3\) right now; when my_latent_value is correctly at \(15\), our loss will be at \(0\)! So, to get my_latent_value to \(15\), we will ask SGD to take loss to \(0\). To do this, there are three steps. COMMIT THIS TO MEMORY, as it will be basis of literally everything else in the future. Backpropagate: “please tell SGD to take this variable to \(0\), and mark the correct tensors to change” Optimize: “SGD, please update the marked tensors such that the variable I asked you to take to \(0\) is closer to \(0\)” Reset: “SGD, please get ready for step 1 again by unmarking everything that you have changed” Again! Is it commited to memory yet? Backprop Optimize Reset I am stressing this here because a lot of people 1) miss one of these steps 2) do them out of order. Doing these in any other order will cause your desired result to not work. Why? Think about what each step does, and think about doing them out of order. One more time for good luck: Backprop! Optimize! Reset! Let’s do it. Backprop! Backpropergation marks the correct loss value to minimize (optimze towards being \(0\)), and marks all tensors with requires_grad set to True which make up the value of that loss value for update. Secretly, this steps takes the partial derivative of our loss against each of the tensors we marked requires_grad, allowing SGD to “slide down the gradient” based on those partial derivatives. Don’t worry if you didn’t get that sentence. To do this, we call .backward() on the loss we want to take to \(0\): loss.backward() None This call will produce nothing. And that’s OK, because here comes… Optimize! The next step is tell SGD to update all of the tensors marked for update in the previous step to get loss closer to \(0\). To do this, we simply: my_sgd.step() None This call will produce nothing. But, if you check now, the tensors should updated. Although… You should’t check! Because we have one more step left: Reset! my_sgd.zero_grad() None I cannot stress this enough. People often stop at the previous step because “ooo look my tensors updated!!!” and forget to do this step. THIS IS BAD. We won’t go into why for now, but basically not resetting the update mark results in a tensor being updated twice, then thrice, etc. each time you call .step(), which will cause double-updates, which will cause you to overshoot (handwavy, but roughly), which is bad. ooo look my tensors updated!!! var_1, var_2 (tensor(3.0720, requires_grad=True), tensor(4.0540, requires_grad=True)) WOAH! Look at that! Without us telling SGD, it figured out that var_1 and var_2 both need to be BIGGER for my_latent_value, the product of var_1 and var_2 to change from \(12\) to \(15\). Yet, the product of \(3.0720\) and \(4.0540\) is hardly close to \(15\). Why? Because our step size. It was tiny! To get my_latent_value to be properly \(15\), we have to do the cycle of 1) calculating new latent value 2) calculating new loss 3) backprop, optimize, reset, a LOT of times. Now do that a lot of times. for _ in range(100): my_latent_value = var_1*var_2 loss = (15-my_latent_value)**2 loss.backward() # BACKPROP! my_sgd.step() # OPTIMIZE! my_sgd.zero_grad() # RESET! var_1, var_2 (tensor(3.4505, requires_grad=True), tensor(4.3472, requires_grad=True)) Weird solution, but we got there! The product of these two values is indeed very close to \(15\)! Give yourself a pat on the back. So why the heck are we doing all this So why did we go through all the effort of like 25 lines of code to get two numbers to multiply to \(15\)? If you think about Neural Networks as a process of function fitting, we are essentially asking our very basic “network” (as indeed, the chain of tensors to build up to our latent value, then to compute our loss, is a network!) to achieve a measurable task (“take the product of these numbers to \(15\)”). Though the relationships we will be modeling in this class will be more complex than literal multiplication, it will be just using more fancy mechanics of doing the same thing—taking tensors values which was undesirable, and moving them to more desirable values to model our relationship. y=mx+b and your first neural network “module” nn.Linear The power of neural networks actually comes when a BUNCH of numbers gets multiplied together, all at once! using… VECTORS and MATRICIES! Don’t remember what they are? Ask your friendly neighborhood Matt/Jack. Recall, a matrix is how you can transform a vector from one space to another. Turns out, the brunt of everything you will be doing involves asking SGD to move a bunch of matricies around (like we did before!) such that our input vector(s) gets mapped to the right place. A matrix, in neural network world, is referred to as a linear layer. It holds a whole series of neurons, taking every single value of the input into account to producing a whole set of output. Because of this property, it is considered a fully connected layer. Let’s create such a fully-connected layer (matrix) in PyTorch! When you ask PyTorch to make a matrix for you, you use the nn sublibrary which we imported before. Furthermore, and this is confusing for many people who have worked with matricies before, you specify the input dimension first. my_matrix_var_1 = nn.Linear(3, 2) my_matrix_var_1 Linear(in_features=3, out_features=2, bias=True) my_matrix_var_1 is a linear map from three dimensions to two dimensions; it will take a vector of three things as input and spit out a vector of two. Note! Although my_matrix_var_1 is a tensor under the hood just like var_1, we 1) didn’t have to set default values for it 2) didn’t have to mark it as requires_grad. This is because, unlike a raw Tensor which often does not require to be changed (such as, for instance, the input value, which you can’t change), a matrix is basically ALWAYS a tensor that encodes the weights of a model we are working with—so it is always going to be something that we will ask SGD to change on our behalf. So, since you are asking SGD to change it anyways, PyTorch just filled a bunch of random numbers in for you and set requires_grad on for you to my_matrix_var_1. If you want to see the actual underlying tensor, you can: my_matrix_var_1.weight Parameter containing: tensor([[-0.2634, 0.3729, 0.5019], [ 0.2796, 0.5425, -0.4337]], requires_grad=True) As you can see, we have indeed what we expect: a tensor containing a \(2\times 3\) matrix with requires_grad on filled with random values. How do we actually optimize over this tensor? You can do all the shenanigans we did before and pass my_matrix_var_1 to SGD, but this will quickly get unwieldy as you have more parameters. Remember how we had to give SVG a list of EVERYTHING it had to keep track of? var_1 and var_2 was simple enough, but what if we had to do var_1.weight, var_2.weight, var_3.weight… … … ad nausium for every parameter we use on our large graph? GPT3 has 1.5 billion parameters. Do you really want to type that? No. There is, of course, a better way. nn.Module This, by the way, is the standard of how a Neural Network is properly built from now on until the industry moves on from PyTorch. You will want to remember this. Let’s replicate the example of our previous 3=>2 dimensional linear map, but with a whole lot more code. class MyNetwork(nn.Module): def __init__(self): # important: runs early calls to make sure that # the module is correct super().__init__() # we declare our layers. we will use them below self.m1 = nn.Linear(3,2) # this is a special function that you don't actually call # manually, but as you use this module Torch will call # on your behalf. It passes the input through to the layers # of your network. def forward(self, x): # we want to pass whatever input we get, named x # through to every layer. right now there is only # one fully-connected layer x = self.m1(x) return x What this does, behind the scenes, is to wrap our matrix and all of its parameters into one giant module. (NOTE! This is PyTorch-specific language. Unlike all other vocab before, this term is specific to PyTorch.) A module is an operation on tensors which can retain gradients (i.e. it can change, i.e. requires_grad=True). Let’s see it in action. Recall that our matrix takes a vector of 3 things as input, and spits out a vector of 2 things. So let’s make a vector of three things: three_vector = torch.tensor([1.,2.,3.]) three_vector tensor([1., 2., 3.]) By the way, notice the period I’m putting after numbers here? That’s a shorthand for .0. So 3.0 = 3.. I want to take this opportunity to remind you that the tensor operations all take FLOATING POINT tensors as input, because the matrices themselves as initialized with random floating points. Let’s get an instance of the new MyNetwork module. my_network = MyNetwork() my_network MyNetwork( (m1): Linear(in_features=3, out_features=2, bias=True) ) And apply this operation we designed to our three-vector! my_network(three_vector) tensor([0.3850, 1.4120], grad_fn=<AddBackward0>) Woah! It mapped our vector tensor in three dimensions to a vector tensor in two! The above code, by the way, is how we actually use our model to run predictions: my_network is transforming the input vector to the desired output vector. Cool. This may not seem all that amazing to you… yet. But, remember, we can encode any number of matrix operations in our forward() function above. Let’s design another module that uses two matricies—or two fully-connected layers, or layers for short (when we don’t specify what kind of layer it is, it is fully connected)—to perform a transformation. We will transform a vector from 3 dimensions to 2 dimensions, then from 2 dimensions to 5 dimensions: class MyNetwork(nn.Module): def __init__(self): # important: runs early calls to make sure that # the module is correct super().__init__() # we declare our layers. we will use them below self.m1 = nn.Linear(3,2) self.m2 = nn.Linear(2,5) # this is a special function that you don't actually call # manually, but as you use this module Torch will call # on your behalf. It passes the input through to the layers # of your network. def forward(self, x): # we want to pass whatever input we get, named x # through to every layer. right now there is only # one fully-connected layer x = self.m1(x) x = self.m2(x) return x Of course, this network topology is kind of randomly tossed into the network. Doing everything else we did before again, we should end up a vector in 5 dimensions, having been transformed twice behind the scenes! my_network = MyNetwork() my_network MyNetwork( (m1): Linear(in_features=3, out_features=2, bias=True) (m2): Linear(in_features=2, out_features=5, bias=True) ) And apply this operation we designed to our three-vector! my_network(three_vector) tensor([ 0.8241, -0.1014, 0.2940, -0.2019, 0.6749], grad_fn=<AddBackward0>) Nice. And here’s the magical thing: when we are asking SGD to optimize this network, instead of needing to pass every darn parameter used in this network into SVG, we can just pass in: my_network.parameters() <generator object Module.parameters at 0x115214270> This is actually a list of every single tensor that has requires_grad=True that we secretly created. No more typing out a list of every parameter to SGD like we did with var_1 and var_2! We will see this in action shortly. How to Train Your Dragon Neural Network Note, the MyNetwork transformation is currently kind of useless. We know it maps the vector [1,2,3] to some arbitrary numbers above (i.e. 0.8241 an such). That’s quite lame. We want our network to model some relationship between numbers, that’s why we are here. Let’s, arbitrarily and for fun, ask SGD to update my_network such that it will return [1,2,3,4,5] given [1,2,3]. By the way, from here on, I will use MyNetwork to refer to the model 3=>2=>5 network we made above generally, and my_network the specific instantiation of MyNetwork whose parameters we will ask SGD to update. Let’s get a clean copy of MyNetwork first: my_network = MyNetwork() my_network MyNetwork( (m1): Linear(in_features=3, out_features=2, bias=True) (m2): Linear(in_features=2, out_features=5, bias=True) ) And, let’s create a static (i.e. SGD cannot change it) input and output vector pair which we will pass into our operation: my_input = torch.tensor([1.,2.,3.]) my_desired_output = torch.tensor([1.,2.,3.,4.,5.]) my_input,my_desired_output (tensor([1., 2., 3.]), tensor([1., 2., 3., 4., 5.])) We will pass our input through the my_network operation, and figure out what our inputs currently map to: my_network_output = my_network(my_input) my_network_output tensor([-1.4672, -0.7089, -0.2645, -0.0598, 0.1239], grad_fn=<AddBackward0>) Ah, clearly not [1,2,3,4,5]. Recall we want these values to be the same as my_output, which they isn’t doing right now. Let’s fix that. Can you guess what loss function we will use? … That’s right, the same exact thing as before! Squaring the difference. loss = (my_network_output-my_desired_output)**2 loss tensor([ 6.0869, 7.3380, 10.6571, 16.4821, 23.7766], grad_fn=<PowBackward0>) Waiiiit. There’s a problem. Remember, SGD can take a single latent value to \(0\). That’s a whole lotta latent values in a vector! Which one will it take to \(0\)? Stop to think about this for a bit: we want to take all of these values to \(0\), but we can take only a single value to \(0\) with SGD. How can we do it? To do this, we just… add the values up using the torch.sum function! loss = torch.sum((my_network_output-my_desired_output)**2) loss tensor(64.3406, grad_fn=<SumBackward0>) Nice. We now have something to optimize against, let’s actually create our optimizer! Remember that, instead of passing in every single parameter we want PyTorch to change manually, we just pass in my_network.parameters() and PyTorch will scan for every single parameter that lives in MyNetwork and give it all to SGD: my_sgd = SGD(my_network.parameters(), lr=1e-6) my_sgd SGD ( Parameter Group 0 dampening: 0 differentiable: False foreach: None lr: 1e-06 maximize: False momentum: 0 nesterov: False weight_decay: 0 ) Just for running this model, we are going to run our network with more steps (\(50,000\)), but with smaller step sizes (\(1 \times 10^{-6}\)). We will not worry about it too much for now, and dive into discussing it further for network parameter tuning. So, let’s make the actual training loop now that will take the latent variable named my_network_output, created by applying my_network on my_input, to take on the value of my_desired_output! Can you do it without looking? This will be almost the same as our first training loop, except we are asking our network to calculate the current latent output (instead of computing it from scratch each time.) for _ in range(50000): # calculate new latent variable my_network_output = my_network(my_input) # calculate loss loss = torch.sum((my_network_output-my_desired_output)**2) # Backprop! loss.backward() # Optimize! my_sgd.step() # Reset! my_sgd.zero_grad() my_network(my_input) tensor([-0.9814, 0.4252, 1.8085, 2.7022, 3.5517], grad_fn=<AddBackward0>) Not great! But—we are both ordered correctly and — if you just kept running this loop, we will eventually converge (arrive at) the right answer! For kicks, let’s run it \(50000\) more times: for _ in range(50000): # calculate new latent variable my_network_output = my_network(my_input) # calculate loss loss = torch.sum((my_network_output-my_desired_output)**2) # Backprop! loss.backward() # Optimize! my_sgd.step() # Reset! my_sgd.zero_grad() my_network(my_input) tensor([0.9975, 1.9986, 3.0006, 4.0026, 5.0052], grad_fn=<AddBackward0>) Would you look at that! What did I promise you :) Your network learned something! Specifically, the skill of mapping \([1,2,3]\) to \([1,2,3,4,5]\)! Congrats! Challenge Now that you know how to get the network to map a specific vector in three dimensions to a specific place in five dimensions, can you do that more generally? Can you generate and give your own network enough examples such that it will learn to do that for ALL vectors in three dimensions? Specifically, generate a training set of in python and train your neural network now to perform the following operation: Given a vector \([a,b,c]\), return \([a,b,c,c+1,c+2]\), for every integer \([a,b,c]\). Hint: pass in many examples for correct behavior sequentially during each of your training loops, calculating loss and running the optimization step (i.e. back! optimize! reset!) after each example you give.