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<h1>Train a Graph Attention Network v2 (GATv2) on Cora dataset</h1>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">11</span><span></span><span class="kn">import</span> <span class="nn">torch</span>
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<span class="lineno">12</span><span class="kn">from</span> <span class="nn">torch</span> <span class="kn">import</span> <span class="n">nn</span>
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<span class="lineno">13</span>
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<span class="lineno">14</span><span class="kn">from</span> <span class="nn">labml</span> <span class="kn">import</span> <span class="n">experiment</span>
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<span class="lineno">15</span><span class="kn">from</span> <span class="nn">labml.configs</span> <span class="kn">import</span> <span class="n">option</span>
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<span class="lineno">16</span><span class="kn">from</span> <span class="nn">labml_nn.graphs.gat.experiment</span> <span class="kn">import</span> <span class="n">Configs</span> <span class="k">as</span> <span class="n">GATConfigs</span>
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<span class="lineno">17</span><span class="kn">from</span> <span class="nn">labml_nn.graphs.gatv2</span> <span class="kn">import</span> <span class="n">GraphAttentionV2Layer</span></pre></div>
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<div class='section' id='section-1'>
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<div class='docs doc-strings'>
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<div class='section-link'>
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<a href='#section-1'>#</a>
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</div>
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<h2>Graph Attention Network v2 (GATv2)</h2>
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<p>This graph attention network has two <a href="index.html">graph attention layers</a>.</p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">20</span><span class="k">class</span> <span class="nc">GATv2</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span></pre></div>
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<div class='section' id='section-2'>
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<div class='docs doc-strings'>
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<a href='#section-2'>#</a>
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<ul><li><code class="highlight"><span></span><span class="n">in_features</span></code>
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is the number of features per node </li>
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<li><code class="highlight"><span></span><span class="n">n_hidden</span></code>
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is the number of features in the first graph attention layer </li>
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<li><code class="highlight"><span></span><span class="n">n_classes</span></code>
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is the number of classes </li>
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<li><code class="highlight"><span></span><span class="n">n_heads</span></code>
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is the number of heads in the graph attention layers </li>
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<li><code class="highlight"><span></span><span class="n">dropout</span></code>
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is the dropout probability </li>
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<li><code class="highlight"><span></span><span class="n">share_weights</span></code>
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if set to True, the same matrix will be applied to the source and the target node of every edge</li></ul>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">27</span> <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">in_features</span><span class="p">:</span> <span class="nb">int</span><span class="p">,</span> <span class="n">n_hidden</span><span class="p">:</span> <span class="nb">int</span><span class="p">,</span> <span class="n">n_classes</span><span class="p">:</span> <span class="nb">int</span><span class="p">,</span> <span class="n">n_heads</span><span class="p">:</span> <span class="nb">int</span><span class="p">,</span> <span class="n">dropout</span><span class="p">:</span> <span class="nb">float</span><span class="p">,</span>
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<span class="lineno">28</span> <span class="n">share_weights</span><span class="p">:</span> <span class="nb">bool</span> <span class="o">=</span> <span class="kc">True</span><span class="p">):</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-3'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-3'>#</a>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">37</span> <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-4'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-4'>#</a>
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</div>
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<p>First graph attention layer where we concatenate the heads </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">40</span> <span class="bp">self</span><span class="o">.</span><span class="n">layer1</span> <span class="o">=</span> <span class="n">GraphAttentionV2Layer</span><span class="p">(</span><span class="n">in_features</span><span class="p">,</span> <span class="n">n_hidden</span><span class="p">,</span> <span class="n">n_heads</span><span class="p">,</span>
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<span class="lineno">41</span> <span class="n">is_concat</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="n">dropout</span><span class="o">=</span><span class="n">dropout</span><span class="p">,</span> <span class="n">share_weights</span><span class="o">=</span><span class="n">share_weights</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-5'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-5'>#</a>
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</div>
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<p>Activation function after first graph attention layer </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">43</span> <span class="bp">self</span><span class="o">.</span><span class="n">activation</span> <span class="o">=</span> <span class="n">nn</span><span class="o">.</span><span class="n">ELU</span><span class="p">()</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-6'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-6'>#</a>
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</div>
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<p>Final graph attention layer where we average the heads </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">45</span> <span class="bp">self</span><span class="o">.</span><span class="n">output</span> <span class="o">=</span> <span class="n">GraphAttentionV2Layer</span><span class="p">(</span><span class="n">n_hidden</span><span class="p">,</span> <span class="n">n_classes</span><span class="p">,</span> <span class="mi">1</span><span class="p">,</span>
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<span class="lineno">46</span> <span class="n">is_concat</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">dropout</span><span class="o">=</span><span class="n">dropout</span><span class="p">,</span> <span class="n">share_weights</span><span class="o">=</span><span class="n">share_weights</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-7'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-7'>#</a>
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</div>
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<p>Dropout </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">48</span> <span class="bp">self</span><span class="o">.</span><span class="n">dropout</span> <span class="o">=</span> <span class="n">nn</span><span class="o">.</span><span class="n">Dropout</span><span class="p">(</span><span class="n">dropout</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-8'>
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<div class='docs doc-strings'>
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<div class='section-link'>
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<a href='#section-8'>#</a>
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</div>
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<ul><li><code class="highlight"><span></span><span class="n">x</span></code>
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is the features vectors of shape <code class="highlight"><span></span><span class="p">[</span><span class="n">n_nodes</span><span class="p">,</span> <span class="n">in_features</span><span class="p">]</span></code>
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</li>
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<li><code class="highlight"><span></span><span class="n">adj_mat</span></code>
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is the adjacency matrix of the form <code class="highlight"><span></span><span class="p">[</span><span class="n">n_nodes</span><span class="p">,</span> <span class="n">n_nodes</span><span class="p">,</span> <span class="n">n_heads</span><span class="p">]</span></code>
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or <code class="highlight"><span></span><span class="p">[</span><span class="n">n_nodes</span><span class="p">,</span> <span class="n">n_nodes</span><span class="p">,</span> <span class="mi">1</span><span class="p">]</span></code>
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</li></ul>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">50</span> <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x</span><span class="p">:</span> <span class="n">torch</span><span class="o">.</span><span class="n">Tensor</span><span class="p">,</span> <span class="n">adj_mat</span><span class="p">:</span> <span class="n">torch</span><span class="o">.</span><span class="n">Tensor</span><span class="p">):</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-9'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-9'>#</a>
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</div>
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<p>Apply dropout to the input </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">57</span> <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">dropout</span><span class="p">(</span><span class="n">x</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-10'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-10'>#</a>
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</div>
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<p>First graph attention layer </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">59</span> <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">layer1</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">adj_mat</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-11'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-11'>#</a>
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</div>
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<p>Activation function </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">61</span> <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">activation</span><span class="p">(</span><span class="n">x</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-12'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-12'>#</a>
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</div>
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<p>Dropout </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">63</span> <span class="n">x</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">dropout</span><span class="p">(</span><span class="n">x</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-13'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-13'>#</a>
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</div>
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<p>Output layer (without activation) for logits </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">65</span> <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">output</span><span class="p">(</span><span class="n">x</span><span class="p">,</span> <span class="n">adj_mat</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-14'>
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<div class='docs doc-strings'>
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<div class='section-link'>
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<a href='#section-14'>#</a>
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</div>
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<h2>Configurations</h2>
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<p>Since the experiment is same as <a href="../gat/experiment.html">GAT experiment</a> but with <a href="index.html">GATv2 model</a> we extend the same configs and change the model.</p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">68</span><span class="k">class</span> <span class="nc">Configs</span><span class="p">(</span><span class="n">GATConfigs</span><span class="p">):</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-15'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-15'>#</a>
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<p>Whether to share weights for source and target nodes of edges </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">77</span> <span class="n">share_weights</span><span class="p">:</span> <span class="nb">bool</span> <span class="o">=</span> <span class="kc">False</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-16'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-16'>#</a>
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<p>Set the model </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">79</span> <span class="n">model</span><span class="p">:</span> <span class="n">GATv2</span> <span class="o">=</span> <span class="s1">'gat_v2_model'</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-17'>
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<div class='docs doc-strings'>
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<div class='section-link'>
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<a href='#section-17'>#</a>
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</div>
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<p> Create GATv2 model</p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">82</span><span class="nd">@option</span><span class="p">(</span><span class="n">Configs</span><span class="o">.</span><span class="n">model</span><span class="p">)</span>
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<span class="lineno">83</span><span class="k">def</span> <span class="nf">gat_v2_model</span><span class="p">(</span><span class="n">c</span><span class="p">:</span> <span class="n">Configs</span><span class="p">):</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-18'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-18'>#</a>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">87</span> <span class="k">return</span> <span class="n">GATv2</span><span class="p">(</span><span class="n">c</span><span class="o">.</span><span class="n">in_features</span><span class="p">,</span> <span class="n">c</span><span class="o">.</span><span class="n">n_hidden</span><span class="p">,</span> <span class="n">c</span><span class="o">.</span><span class="n">n_classes</span><span class="p">,</span> <span class="n">c</span><span class="o">.</span><span class="n">n_heads</span><span class="p">,</span> <span class="n">c</span><span class="o">.</span><span class="n">dropout</span><span class="p">,</span> <span class="n">c</span><span class="o">.</span><span class="n">share_weights</span><span class="p">)</span><span class="o">.</span><span class="n">to</span><span class="p">(</span><span class="n">c</span><span class="o">.</span><span class="n">device</span><span class="p">)</span></pre></div>
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</div>
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<div class='section' id='section-19'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-19'>#</a>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">90</span><span class="k">def</span> <span class="nf">main</span><span class="p">():</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-20'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-20'>#</a>
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</div>
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<p>Create configurations </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">92</span> <span class="n">conf</span> <span class="o">=</span> <span class="n">Configs</span><span class="p">()</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-21'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-21'>#</a>
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</div>
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<p>Create an experiment </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">94</span> <span class="n">experiment</span><span class="o">.</span><span class="n">create</span><span class="p">(</span><span class="n">name</span><span class="o">=</span><span class="s1">'gatv2'</span><span class="p">)</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-22'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-22'>#</a>
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</div>
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<p>Calculate configurations. </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">96</span> <span class="n">experiment</span><span class="o">.</span><span class="n">configs</span><span class="p">(</span><span class="n">conf</span><span class="p">,</span> <span class="p">{</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-23'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-23'>#</a>
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</div>
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<p>Adam optimizer </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">98</span> <span class="s1">'optimizer.optimizer'</span><span class="p">:</span> <span class="s1">'Adam'</span><span class="p">,</span>
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<span class="lineno">99</span> <span class="s1">'optimizer.learning_rate'</span><span class="p">:</span> <span class="mf">5e-3</span><span class="p">,</span>
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<span class="lineno">100</span> <span class="s1">'optimizer.weight_decay'</span><span class="p">:</span> <span class="mf">5e-4</span><span class="p">,</span>
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<span class="lineno">101</span>
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<span class="lineno">102</span> <span class="s1">'dropout'</span><span class="p">:</span> <span class="mf">0.7</span><span class="p">,</span>
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<span class="lineno">103</span> <span class="p">})</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-24'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-24'>#</a>
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</div>
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<p>Start and watch the experiment </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">106</span> <span class="k">with</span> <span class="n">experiment</span><span class="o">.</span><span class="n">start</span><span class="p">():</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-25'>
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<div class='docs'>
|
|
<div class='section-link'>
|
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<a href='#section-25'>#</a>
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</div>
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<p>Run the training </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">108</span> <span class="n">conf</span><span class="o">.</span><span class="n">run</span><span class="p">()</span></pre></div>
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</div>
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</div>
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<div class='section' id='section-26'>
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<div class='docs'>
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<div class='section-link'>
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<a href='#section-26'>#</a>
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</div>
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<p> </p>
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</div>
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<div class='code'>
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<div class="highlight"><pre><span class="lineno">112</span><span class="k">if</span> <span class="vm">__name__</span> <span class="o">==</span> <span class="s1">'__main__'</span><span class="p">:</span>
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<span class="lineno">113</span> <span class="n">main</span><span class="p">()</span></pre></div>
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