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Dynamic Neighborhood Aggregation (DNA) on Cora

Author: K3-Node Team
Backend: Multi-Backend
Dataset: Cora (Planetoid)
Description: Classify papers in the Cora citation network by topic.

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Dynamic Neighborhood Aggregation (DNA) on Cora

Classify papers in the Cora citation network by topic. DNA (Fey, 2019) lets every layer attend over the representations produced by all previous layers, so each node picks how far into the graph it looks. The nodes are split randomly into 20% training, 20% validation and 60% test.

Same model as PyG's examples/dna.py.

Install K3-Node, then choose a backend: "tensorflow", "torch" or "jax"

!pip install k3-node[examples]
import os
os.environ["KERAS_BACKEND"] = "tensorflow"

Load the data

data holds one graph: node features x, edges edge_index, labels y, and masks marking the training, validation and test nodes.

import keras
from keras import ops
from k3_node.datasets import Planetoid
from k3_node.loader import FullGraphDataset
from k3_node.transforms import RandomNodeSplit

dataset = Planetoid("data/Planetoid", name="Cora", transform=RandomNodeSplit(split="train_rest", num_val=0.2, num_test=0.6))
data = dataset[0]
print(data)

Define the model

from k3_node.layers import DNAConv


class DNA(keras.Model):
    def __init__(self, in_channels, hidden_channels, out_channels, num_layers, heads, groups):
        super().__init__()
        self.hidden_channels = hidden_channels
        self.dropout = keras.layers.Dropout(0.5)
        self.lin1 = keras.layers.Dense(hidden_channels, activation="relu")
        self.convs = [DNAConv(hidden_channels, heads, groups, dropout=0.8) for _ in range(num_layers)]
        self.lin2 = keras.layers.Dense(out_channels)

    def call(self, data, training=False):
        x = self.dropout(self.lin1(data.x), training=training)
        x_all = ops.expand_dims(x, 1)  # [num_nodes, layers so far, channels]
        for conv in self.convs:
            x = ops.relu(conv(x_all, data.edge_index, training=training))
            x_all = ops.concatenate([x_all, ops.expand_dims(x, 1)], axis=1)
        x = self.dropout(x_all[:, -1], training=training)
        return self.lin2(x)


model = DNA(dataset.num_features, hidden_channels=128, out_channels=dataset.num_classes,
            num_layers=5, heads=8, groups=16)

Train

FullGraphDataset feeds the whole graph to Keras; mask selects which nodes count in the loss and the accuracy.

model.compile(
    optimizer=keras.optimizers.Adam(learning_rate=0.005, weight_decay=0.0005),
    loss=keras.losses.SparseCategoricalCrossentropy(from_logits=True),
    weighted_metrics=["accuracy"],
)
model.fit(
    FullGraphDataset(data, mask="train_mask"),
    validation_data=FullGraphDataset(data, mask="val_mask"),
    epochs=200,
    verbose=2,
)

Evaluate

loss, accuracy = model.evaluate(FullGraphDataset(data, mask="test_mask"), verbose=0)
print(f"Test accuracy: {accuracy:.4f}")