wehub-resource-sync
31 lines
1.1 KiB
YAML
31 lines
1.1 KiB
YAML
version: 0.0.2
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pipeline_name: graphpred
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pipeline_mode: train
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device: cuda:0 # Torch device name, e.q. cpu or cuda or cuda:0
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data:
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name: ogbg-molpcba
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split_ratio: # Ratio to generate data split, for example set to [0.8, 0.1, 0.1] for 80% train/10% val/10% test. Leave blank to use builtin split in original dataset
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model:
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name: gin
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embed_size: 300 # Embedding size.
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num_layers: 5 # Number of layers.
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dropout: 0.5 # Dropout rate.
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virtual_node: true # Whether to use virtual node.
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general_pipeline:
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num_runs: 10 # Number of experiments to run
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train_batch_size: 32 # Graph batch size when training
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eval_batch_size: 32 # Graph batch size when evaluating
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num_workers: 4 # Number of workers for data loading
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optimizer:
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name: Adam
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lr: 0.001
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weight_decay: 0
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lr_scheduler:
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name: StepLR
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step_size: 100
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gamma: 1
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loss: BCEWithLogitsLoss
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metric: average_precision_score
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num_epochs: 100 # Number of training epochs
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save_path: "results" # Directory to save the experiment results
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