Neural Networks
Neural Networks
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rights reserved. Draft of January 12, 2025.
CHAPTER
Neural Networks
7
“[M]achines of this character can behave in a very complicated manner when
the number of units is large.”
Alan Turing (1948) “Intelligent Machines”, page 6
7.1 Units
The building block of a neural network is a single computational unit. A unit takes
a set of real valued numbers as input, performs some computation on them, and
produces an output.
At its heart, a neural unit is taking a weighted sum of its inputs, with one addi-
bias term tional term in the sum called a bias term. Given a set of inputs x1 ...xn , a unit has
a set of corresponding weights w1 ...wn and a bias b, so the weighted sum z can be
represented as: X
z = b+ wi xi (7.1)
i
Often it’s more convenient to express this weighted sum using vector notation; recall
vector from linear algebra that a vector is, at heart, just a list or array of numbers. Thus
we’ll talk about z in terms of a weight vector w, a scalar bias b, and an input vector
x, and we’ll replace the sum with the convenient dot product:
z = w·x+b (7.2)
As defined in Eq. 7.2, z is just a real valued number.
Finally, instead of using z, a linear function of x, as the output, neural units
apply a non-linear function f to z. We will refer to the output of this function as
activation the activation value for the unit, a. Since we are just modeling a single unit, the
activation for the node is in fact the final output of the network, which we’ll generally
call y. So the value y is defined as:
y = a = f (z)
We’ll discuss three popular non-linear functions f below (the sigmoid, the tanh, and
the rectified linear unit or ReLU) but it’s pedagogically convenient to start with the
sigmoid sigmoid function since we saw it in Chapter 5:
1
y = σ (z) = (7.3)
1 + e−z
The sigmoid (shown in Fig. 7.1) has a number of advantages; it maps the output
into the range (0, 1), which is useful in squashing outliers toward 0 or 1. And it’s
differentiable, which as we saw in Section ?? will be handy for learning.
Figure 7.1 The sigmoid function takes a real value and maps it to the range (0, 1). It is
nearly linear around 0 but outlier values get squashed toward 0 or 1.
Substituting Eq. 7.2 into Eq. 7.3 gives us the output of a neural unit:
1
y = σ (w · x + b) = (7.4)
1 + exp(−(w · x + b))
7.1 • U NITS 3
Fig. 7.2 shows a final schematic of a basic neural unit. In this example the unit
takes 3 input values x1 , x2 , and x3 , and computes a weighted sum, multiplying each
value by a weight (w1 , w2 , and w3 , respectively), adds them to a bias term b, and then
passes the resulting sum through a sigmoid function to result in a number between 0
and 1.
x1 w1
w2 z a
x2 ∑ σ y
w3
x3 b
+1
Figure 7.2 A neural unit, taking 3 inputs x1 , x2 , and x3 (and a bias b that we represent as a
weight for an input clamped at +1) and producing an output y. We include some convenient
intermediate variables: the output of the summation, z, and the output of the sigmoid, a. In
this case the output of the unit y is the same as a, but in deeper networks we’ll reserve y to
mean the final output of the entire network, leaving a as the activation of an individual node.
Let’s walk through an example just to get an intuition. Let’s suppose we have a
unit with the following weight vector and bias:
ez − e−z
y = tanh(z) = (7.5)
ez + e−z
The simplest activation function, and perhaps the most commonly used, is the rec-
ReLU tified linear unit, also called the ReLU, shown in Fig. 7.3b. It’s just the same as z
when z is positive, and 0 otherwise:
These activation functions have different properties that make them useful for differ-
ent language applications or network architectures. For example, the tanh function
has the nice properties of being smoothly differentiable and mapping outlier values
toward the mean. The rectifier function, on the other hand, has nice properties that
4 C HAPTER 7 • N EURAL N ETWORKS
(a) (b)
Figure 7.3 The tanh and ReLU activation functions.
result from it being very close to linear. In the sigmoid or tanh functions, very high
saturated values of z result in values of y that are saturated, i.e., extremely close to 1, and have
derivatives very close to 0. Zero derivatives cause problems for learning, because as
we’ll see in Section 7.5, we’ll train networks by propagating an error signal back-
wards, multiplying gradients (partial derivatives) from each layer of the network;
gradients that are almost 0 cause the error signal to get smaller and smaller until it is
vanishing
gradient too small to be used for training, a problem called the vanishing gradient problem.
Rectifiers don’t have this problem, since the derivative of ReLU for high values of z
is 1 rather than very close to 0.
AND OR XOR
x1 x2 y x1 x2 y x1 x2 y
0 0 0 0 0 0 0 0 0
0 1 0 0 1 1 0 1 1
1 0 0 1 0 1 1 0 1
1 1 1 1 1 1 1 1 0
perceptron This example was first shown for the perceptron, which is a very simple neural
unit that has a binary output and has a very simple step function as its non-linear
activation function. The output y of a perceptron is 0 or 1, and is computed as
follows (using the same weight w, input x, and bias b as in Eq. 7.2):
0, if w · x + b ≤ 0
y= (7.7)
1, if w · x + b > 0
7.2 • T HE XOR PROBLEM 5
It’s very easy to build a perceptron that can compute the logical AND and OR
functions of its binary inputs; Fig. 7.4 shows the necessary weights.
x1 x1
1 1
x2 1 x2 1
-1 0
+1 +1
(a) (b)
Figure 7.4 The weights w and bias b for perceptrons for computing logical functions. The
inputs are shown as x1 and x2 and the bias as a special node with value +1 which is multiplied
with the bias weight b. (a) logical AND, with weights w1 = 1 and w2 = 1 and bias weight
b = −1. (b) logical OR, with weights w1 = 1 and w2 = 1 and bias weight b = 0. These
weights/biases are just one from an infinite number of possible sets of weights and biases that
would implement the functions.
It turns out, however, that it’s not possible to build a perceptron to compute
logical XOR! (It’s worth spending a moment to give it a try!)
The intuition behind this important result relies on understanding that a percep-
tron is a linear classifier. For a two-dimensional input x1 and x2 , the perceptron
equation, w1 x1 + w2 x2 + b = 0 is the equation of a line. (We can see this by putting
it in the standard linear format: x2 = (−w1 /w2 )x1 + (−b/w2 ).) This line acts as a
decision
boundary decision boundary in two-dimensional space in which the output 0 is assigned to all
inputs lying on one side of the line, and the output 1 to all input points lying on the
other side of the line. If we had more than 2 inputs, the decision boundary becomes
a hyperplane instead of a line, but the idea is the same, separating the space into two
categories.
Fig. 7.5 shows the possible logical inputs (00, 01, 10, and 11) and the line drawn
by one possible set of parameters for an AND and an OR classifier. Notice that there
is simply no way to draw a line that separates the positive cases of XOR (01 and 10)
linearly
separable from the negative cases (00 and 11). We say that XOR is not a linearly separable
function. Of course we could draw a boundary with a curve, or some other function,
but not a single line.
x2 x2 x2
1 1 1
?
0 x1 0 x1 0 x1
0 1 0 1 0 1
a) x1 AND x2 b) x1 OR x2 c) x1 XOR x2
Figure 7.5 The functions AND, OR, and XOR, represented with input x1 on the x-axis and input x2 on the
y-axis. Filled circles represent perceptron outputs of 1, and white circles perceptron outputs of 0. There is no
way to draw a line that correctly separates the two categories for XOR. Figure styled after Russell and Norvig
(2002).
x1 1 h1
1
1
y1
1
-2
x2 1 h2 0
0
-1
+1 +1
Figure 7.6 XOR solution after Goodfellow et al. (2016). There are three ReLU units, in
two layers; we’ve called them h1 , h2 (h for “hidden layer”) and y1 . As before, the numbers
on the arrows represent the weights w for each unit, and we represent the bias b as a weight
on a unit clamped to +1, with the bias weights/units in gray.
It’s also instructive to look at the intermediate results, the outputs of the two
hidden nodes h1 and h2 . We showed in the previous paragraph that the h vector for
the inputs x = [0, 0] was [0, 0]. Fig. 7.7b shows the values of the h layer for all
4 inputs. Notice that hidden representations of the two input points x = [0, 1] and
x = [1, 0] (the two cases with XOR output = 1) are merged to the single point h =
[1, 0]. The merger makes it easy to linearly separate the positive and negative cases
of XOR. In other words, we can view the hidden layer of the network as forming a
representation of the input.
In this example we just stipulated the weights in Fig. 7.6. But for real examples
the weights for neural networks are learned automatically using the error backprop-
agation algorithm to be introduced in Section 7.5. That means the hidden layers will
learn to form useful representations. This intuition, that neural networks can auto-
matically learn useful representations of the input, is one of their key advantages,
and one that we will return to again and again in later chapters.
7.3 • F EEDFORWARD N EURAL N ETWORKS 7
x2 h2
1 1
0 x1 0
h1
0 1 0 1 2
x1 W U
y1
h1
x2 h2 y2
h3
…
…
xn
0 hn
1
b yn
2
+1
input layer hidden layer output layer
Figure 7.8 A simple 2-layer feedforward network, with one hidden layer, one output layer,
and one input layer (the input layer is usually not counted when enumerating layers).
efficiently with simple matrix operations. In fact, the computation only has three
steps: multiplying the weight matrix by the input vector x, adding the bias vector b,
and applying the activation function g (such as the sigmoid, tanh, or ReLU activation
function defined above).
The output of the hidden layer, the vector h, is thus the following (for this exam-
ple we’ll use the sigmoid function σ as our activation function):
h = σ (Wx + b) (7.8)
Notice that we’re applying the σ function here to a vector, while in Eq. 7.3 it was
applied to a scalar. We’re thus allowing σ (·), and indeed any activation function
g(·), to apply to a vector element-wise, so g[z1 , z2 , z3 ] = [g(z1 ), g(z2 ), g(z3 )].
Let’s introduce some constants to represent the dimensionalities of these vectors
and matrices. We’ll refer to the input layer as layer 0 of the network, and have n0
represent the number of inputs, so x is a vector of real numbers of dimension n0 ,
or more formally x ∈ Rn0 , a column vector of dimensionality [n0 , 1]. Let’s call the
hidden layer layer 1 and the output layer layer 2. The hidden layer has dimensional-
ity n1 , so h ∈ Rn1 and also b ∈ Rn1 (since each hidden unit can take a different bias
value). And the weight matrix W has dimensionality W ∈ Rn1 ×n0 , i.e. [n1 , n0 ].
Take a moment to convince yourselfPn0 that the matrix multiplication in Eq. 7.8 will
compute the value of each h j as σ i=1 W ji x i + b j .
As we saw in Section 7.2, the resulting value h (for hidden but also for hypoth-
esis) forms a representation of the input. The role of the output layer is to take
this new representation h and compute a final output. This output could be a real-
valued number, but in many cases the goal of the network is to make some sort of
classification decision, and so we will focus on the case of classification.
If we are doing a binary task like sentiment classification, we might have a sin-
gle output node, and its scalar value y is the probability of positive versus negative
sentiment. If we are doing multinomial classification, such as assigning a part-of-
speech tag, we might have one output node for each potential part-of-speech, whose
output value is the probability of that part-of-speech, and the values of all the output
nodes must sum to one. The output layer is thus a vector y that gives a probability
distribution across the output nodes.
7.3 • F EEDFORWARD N EURAL N ETWORKS 9
Let’s see how this happens. Like the hidden layer, the output layer has a weight
matrix (let’s call it U), but some models don’t include a bias vector b in the output
layer, so we’ll simplify by eliminating the bias vector in this example. The weight
matrix is multiplied by its input vector (h) to produce the intermediate output z:
z = Uh
There are n2 output nodes, so z ∈ Rn2 , weight matrix U has dimensionality U ∈
Rn2 ×n1 , and element Ui j is the weight from unit j in the hidden layer to unit i in the
output layer.
However, z can’t be the output of the classifier, since it’s a vector of real-valued
numbers, while what we need for classification is a vector of probabilities. There is
normalizing a convenient function for normalizing a vector of real values, by which we mean
converting it to a vector that encodes a probability distribution (all the numbers lie
softmax between 0 and 1 and sum to 1): the softmax function that we saw on page ?? of
Chapter 5. More generally for any vector z of dimensionality d, the softmax is
defined as:
exp(zi )
softmax(zi ) = Pd 1≤i≤d (7.9)
j=1 exp(z j )
Thus for example given a vector
z = [0.6, 1.1, −1.5, 1.2, 3.2, −1.1], (7.10)
the softmax function will normalize it to a probability distribution (shown rounded):
softmax(z) = [0.055, 0.090, 0.0067, 0.10, 0.74, 0.010] (7.11)
You may recall that we used softmax to create a probability distribution from a
vector of real-valued numbers (computed from summing weights times features) in
the multinomial version of logistic regression in Chapter 5.
That means we can think of a neural network classifier with one hidden layer
as building a vector h which is a hidden layer representation of the input, and then
running standard multinomial logistic regression on the features that the network
develops in h. By contrast, in Chapter 5 the features were mainly designed by hand
via feature templates. So a neural network is like multinomial logistic regression,
but (a) with many layers, since a deep neural network is like layer after layer of lo-
gistic regression classifiers; (b) with those intermediate layers having many possible
activation functions (tanh, ReLU, sigmoid) instead of just sigmoid (although we’ll
continue to use σ for convenience to mean any activation function); (c) rather than
forming the features by feature templates, the prior layers of the network induce the
feature representations themselves.
Here are the final equations for a feedforward network with a single hidden layer,
which takes an input vector x, outputs a probability distribution y, and is parameter-
ized by weight matrices W and U and a bias vector b:
h = σ (Wx + b)
z = Uh
y = softmax(z) (7.12)
And just to remember the shapes of all our variables, x ∈ Rn0 , h ∈ Rn1 , b ∈ Rn1 ,
W ∈ Rn1 ×n0 , U ∈ Rn2 ×n1 , and the output vector y ∈ Rn2 . We’ll call this network a 2-
layer network (we traditionally don’t count the input layer when numbering layers,
but do count the output layer). So by this terminology logistic regression is a 1-layer
network.
10 C HAPTER 7 • N EURAL N ETWORKS
Note that with this notation, the equations for the computation done at each layer are
the same. The algorithm for computing the forward step in an n-layer feedforward
network, given the input vector a[0] is thus simply:
for i in 1,...,n
z[i] = W[i] a[i−1] + b[i]
a[i] = g[i] (z[i] )
ŷ = a[n]
It’s often useful to have a name for the final set of activations right before the final
softmax. So however many layers we have, we’ll generally call the unnormalized
values in the final vector z[n] , the vector of scores right before the final softmax, the
logits logits (see Eq. ??).
The need for non-linear activation functions One of the reasons we use non-
linear activation functions for each layer in a neural network is that if we did not, the
resulting network is exactly equivalent to a single-layer network. Let’s see why this
is true. Imagine the first two layers of such a network of purely linear layers:
Replacing the bias unit In describing networks, we will often use a slightly sim-
plified notation that represents exactly the same function without referring to an ex-
plicit bias node b. Instead, we add a dummy node a0 to each layer whose value will
[0]
always be 1. Thus layer 0, the input layer, will have a dummy node a0 = 1, layer 1
[1]
will have a0 = 1, and so on. This dummy node still has an associated weight, and
that weight represents the bias value b. For example instead of an equation like
h = σ (Wx + b) (7.15)
we’ll use:
h = σ (Wx) (7.16)
But now instead of our vector x having n0 values: x = x1 , . . . , xn0 , it will have n0 +
1 values, with a new 0th dummy value x0 = 1: x = x0 , . . . , xn0 . And instead of
computing each h j as follows:
n0
!
X
hj = σ Wji xi + b j , (7.17)
i=1
where the value Wj0 replaces what had been b j . Fig. 7.9 shows a visualization.
W U W U
x1 h1 y1 x0=1
h1 y1
h2
x2 y2 x1 h2 y2
h3
…
x2 h3
…
…
…
…
xn
hn
…
0
1
yn hn
b 2 xn 1 yn
+1 0 2
(a) (b)
Figure 7.9 Replacing the bias node (shown in a) with x0 (b).
We’ll continue showing the bias as b when we go over the learning algorithm
in Section 7.5, but then we’ll switch to this simplified notation without explicit bias
terms for the rest of the book.