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Layer-Neighbor Sampling -- Defusing Neighborhood Explosion in GNNs

This sampler has 2 parameters, layer_dependency=[False|True] and batch_dependency=k, where k is any nonnegative integer.

We use early stopping so that the final accuracy numbers are reported with a fairly well converged model. Additional contributions to improve the validation accuracy are welcome, and hence hopefully also improving the test accuracy.

layer_dependency

Enabling this parameter by the command line option --layer-dependency makes it so that the random variates for sampling are identical across layers. This ensures that the same vertex gets the same neighborhood in each layer.

batch_dependency

This method is proposed in Section 3.2 of [https://arxiv.org/pdf/2310.12403](Cooperative Minibatching in Graph Neural Networks), it is denoted as kappa in the paper. It makes the random variates used across minibatches dependent, thus increasing temporal locality. When used with a cache, the increase in the temporal locality can be observed by monitoring the drop in the cache miss rate with higher values of the batch dependency parameter, speeding up embedding transfers to the GPU.

Performance

Use the --torch-compile option for best performance. If your GPU has spare memory, consider using --mode=cuda-cuda-cuda to move the whole dataset to the GPU. If not, consider using --mode=cuda-pinned-cuda --num-gpu-cached-features=N to keep the graph on the GPU and features in system RAM with N of the node features cached on the GPU. If you can not even fit the graph on the GPU, then consider using --mode=pinned-pinned-cuda --num-gpu-cached-features=N. Finally, you can use --mode=cpu-pinned=cuda --num-gpu-cached-features=N to perform the sampling operation on the CPU.

Examples

We use --num-gpu-cached-features=500000 to cache the 500k of the node embeddings for the ogbn-products dataset (default). Check the command line arguments to see which other datasets can be run. When running with the yelp dataset, using --dropout=0 gives better final validation and test accuracy.

Example run with batch_dependency=1, cache miss rate is 62%:

python node_classification.py --num-gpu-cached-features=500000 --batch-dependency=1
Training in pinned-pinned-cuda mode.
Loading data...
The dataset is already preprocessed.
Training: 192it [00:03, 50.95it/s, num_nodes=247243, cache_miss=0.619]
Evaluating: 39it [00:00, 76.01it/s, num_nodes=137466, cache_miss=0.621]
Epoch 00, Loss: 1.1161, Approx. Train: 0.7024, Approx. Val: 0.8612, Time: 3.7688188552856445s

Example run with batch_dependency=32, cache miss rate is 22%:

python node_classification.py --num-gpu-cached-features=500000 --batch-dependency=32
Training in pinned-pinned-cuda mode.
Loading data...
The dataset is already preprocessed.
Training: 192it [00:03, 54.34it/s, num_nodes=250479, cache_miss=0.221]
Evaluating: 39it [00:00, 84.66it/s, num_nodes=135142, cache_miss=0.226]
Epoch 00, Loss: 1.1288, Approx. Train: 0.6993, Approx. Val: 0.8607, Time: 3.5339605808258057s

Example run with layer_dependency=True, # sampled nodes is 190k vs 250k without this option:

python node_classification.py --num-gpu-cached-features=500000 --layer-dependency
Training in pinned-pinned-cuda mode.
Loading data...
The dataset is already preprocessed.
Training: 192it [00:03, 54.03it/s, num_nodes=191259, cache_miss=0.626]
Evaluating: 39it [00:00, 79.49it/s, num_nodes=108720, cache_miss=0.627]
Epoch 00, Loss: 1.1495, Approx. Train: 0.6932, Approx. Val: 0.8586, Time: 3.5540308952331543s

Example run with the original GraphSAGE sampler (Neighbor Sampler), # sampled nodes is 520k, more than 2x higher than Labor sampler.

python node_classification.py --num-gpu-cached-features=500000 --sample-mode=sample_neighbor
Training in pinned-pinned-cuda mode.
Loading data...
The dataset is already preprocessed.
Training: 192it [00:04, 45.60it/s, num_nodes=517522, cache_miss=0.563]
Evaluating: 39it [00:00, 77.53it/s, num_nodes=255686, cache_miss=0.565]
Epoch 00, Loss: 1.1152, Approx. Train: 0.7015, Approx. Val: 0.8652, Time: 4.211000919342041s