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<h2 id="matrix-multiplication" class="anchor">Matrix multiplication </h2>
<p>
To more efficently train our network these equations are implemented using matrix operations.
The error in the output layer is calculated simply as, with \( \boldsymbol{t} \) being our targets,
$$ \delta_L = \boldsymbol{t} - \boldsymbol{y} = (n_{inputs}, n_{categories}) .$$
<p>
The gradient for the output weights is calculated as
$$ \nabla W_{L} = \boldsymbol{a}^T \delta_L = (n_{hidden}, n_{categories}) ,$$
<p>
where \( \boldsymbol{a} = (n_{inputs}, n_{hidden}) \). This simply means that we are summing up the gradients for each input.
Since we are going backwards we have to transpose the activation matrix.
<p>
The gradient with respect to the output bias is then
$$ \nabla \boldsymbol{b}_{L} = \sum_{i=1}^{n_{inputs}} \delta_L = (n_{categories}) .$$
<p>
The error in the hidden layer is
$$ \Delta_h = \delta_L W_{L}^T \circ f'(z_{h}) = \delta_L W_{L}^T \circ a_{h} \circ (1 - a_{h}) = (n_{inputs}, n_{hidden}) ,$$
<p>
where \( f'(a_{h}) \) is the derivative of the activation in the hidden layer. The matrix products mean
that we are summing up the products for each neuron in the output layer. The symbol \( \circ \) denotes
the <em>Hadamard product</em>, meaning element-wise multiplication.
<p>
This again gives us the gradients in the hidden layer:
$$ \nabla W_{h} = X^T \delta_h = (n_{features}, n_{hidden}) ,$$
$$ \nabla b_{h} = \sum_{i=1}^{n_{inputs}} \delta_h = (n_{hidden}) .$$
<p>
<!-- code=python (!bc pycod) typeset with pygments style "default" -->
<div class="highlight" style="background: #f8f8f8"><pre style="line-height: 125%;"><span></span><span style="color: #408080; font-style: italic"># to categorical turns our integer vector into a onehot representation</span>
<span style="color: #008000; font-weight: bold">from</span> <span style="color: #0000FF; font-weight: bold">sklearn.metrics</span> <span style="color: #008000; font-weight: bold">import</span> accuracy_score
<span style="color: #408080; font-style: italic"># one-hot in numpy</span>
<span style="color: #008000; font-weight: bold">def</span> <span style="color: #0000FF">to_categorical_numpy</span>(integer_vector):
n_inputs <span style="color: #666666">=</span> <span style="color: #008000">len</span>(integer_vector)
n_categories <span style="color: #666666">=</span> np<span style="color: #666666">.</span>max(integer_vector) <span style="color: #666666">+</span> <span style="color: #666666">1</span>
onehot_vector <span style="color: #666666">=</span> np<span style="color: #666666">.</span>zeros((n_inputs, n_categories))
onehot_vector[<span style="color: #008000">range</span>(n_inputs), integer_vector] <span style="color: #666666">=</span> <span style="color: #666666">1</span>
<span style="color: #008000; font-weight: bold">return</span> onehot_vector
<span style="color: #408080; font-style: italic">#Y_train_onehot, Y_test_onehot = to_categorical(Y_train), to_categorical(Y_test)</span>
Y_train_onehot, Y_test_onehot <span style="color: #666666">=</span> to_categorical_numpy(Y_train), to_categorical_numpy(Y_test)
<span style="color: #008000; font-weight: bold">def</span> <span style="color: #0000FF">feed_forward_train</span>(X):
<span style="color: #408080; font-style: italic"># weighted sum of inputs to the hidden layer</span>
z_h <span style="color: #666666">=</span> np<span style="color: #666666">.</span>matmul(X, hidden_weights) <span style="color: #666666">+</span> hidden_bias
<span style="color: #408080; font-style: italic"># activation in the hidden layer</span>
a_h <span style="color: #666666">=</span> sigmoid(z_h)
<span style="color: #408080; font-style: italic"># weighted sum of inputs to the output layer</span>
z_o <span style="color: #666666">=</span> np<span style="color: #666666">.</span>matmul(a_h, output_weights) <span style="color: #666666">+</span> output_bias
<span style="color: #408080; font-style: italic"># softmax output</span>
<span style="color: #408080; font-style: italic"># axis 0 holds each input and axis 1 the probabilities of each category</span>
exp_term <span style="color: #666666">=</span> np<span style="color: #666666">.</span>exp(z_o)
probabilities <span style="color: #666666">=</span> exp_term <span style="color: #666666">/</span> np<span style="color: #666666">.</span>sum(exp_term, axis<span style="color: #666666">=1</span>, keepdims<span style="color: #666666">=</span><span style="color: #008000; font-weight: bold">True</span>)
<span style="color: #408080; font-style: italic"># for backpropagation need activations in hidden and output layers</span>
<span style="color: #008000; font-weight: bold">return</span> a_h, probabilities
<span style="color: #008000; font-weight: bold">def</span> <span style="color: #0000FF">backpropagation</span>(X, Y):
a_h, probabilities <span style="color: #666666">=</span> feed_forward_train(X)
<span style="color: #408080; font-style: italic"># error in the output layer</span>
error_output <span style="color: #666666">=</span> probabilities <span style="color: #666666">-</span> Y
<span style="color: #408080; font-style: italic"># error in the hidden layer</span>
error_hidden <span style="color: #666666">=</span> np<span style="color: #666666">.</span>matmul(error_output, output_weights<span style="color: #666666">.</span>T) <span style="color: #666666">*</span> a_h <span style="color: #666666">*</span> (<span style="color: #666666">1</span> <span style="color: #666666">-</span> a_h)
<span style="color: #408080; font-style: italic"># gradients for the output layer</span>
output_weights_gradient <span style="color: #666666">=</span> np<span style="color: #666666">.</span>matmul(a_h<span style="color: #666666">.</span>T, error_output)
output_bias_gradient <span style="color: #666666">=</span> np<span style="color: #666666">.</span>sum(error_output, axis<span style="color: #666666">=0</span>)
<span style="color: #408080; font-style: italic"># gradient for the hidden layer</span>
hidden_weights_gradient <span style="color: #666666">=</span> np<span style="color: #666666">.</span>matmul(X<span style="color: #666666">.</span>T, error_hidden)
hidden_bias_gradient <span style="color: #666666">=</span> np<span style="color: #666666">.</span>sum(error_hidden, axis<span style="color: #666666">=0</span>)
<span style="color: #008000; font-weight: bold">return</span> output_weights_gradient, output_bias_gradient, hidden_weights_gradient, hidden_bias_gradient
<span style="color: #008000">print</span>(<span style="color: #BA2121">&quot;Old accuracy on training data: &quot;</span> <span style="color: #666666">+</span> <span style="color: #008000">str</span>(accuracy_score(predict(X_train), Y_train)))
eta <span style="color: #666666">=</span> <span style="color: #666666">0.01</span>
lmbd <span style="color: #666666">=</span> <span style="color: #666666">0.01</span>
<span style="color: #008000; font-weight: bold">for</span> i <span style="color: #AA22FF; font-weight: bold">in</span> <span style="color: #008000">range</span>(<span style="color: #666666">1000</span>):
<span style="color: #408080; font-style: italic"># calculate gradients</span>
dWo, dBo, dWh, dBh <span style="color: #666666">=</span> backpropagation(X_train, Y_train_onehot)
<span style="color: #408080; font-style: italic"># regularization term gradients</span>
dWo <span style="color: #666666">+=</span> lmbd <span style="color: #666666">*</span> output_weights
dWh <span style="color: #666666">+=</span> lmbd <span style="color: #666666">*</span> hidden_weights
<span style="color: #408080; font-style: italic"># update weights and biases</span>
output_weights <span style="color: #666666">-=</span> eta <span style="color: #666666">*</span> dWo
output_bias <span style="color: #666666">-=</span> eta <span style="color: #666666">*</span> dBo
hidden_weights <span style="color: #666666">-=</span> eta <span style="color: #666666">*</span> dWh
hidden_bias <span style="color: #666666">-=</span> eta <span style="color: #666666">*</span> dBh
<span style="color: #008000">print</span>(<span style="color: #BA2121">&quot;New accuracy on training data: &quot;</span> <span style="color: #666666">+</span> <span style="color: #008000">str</span>(accuracy_score(predict(X_train), Y_train)))
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