Support symbolic tracing of SchNet
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rusty1s
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SchNet
rusty1s
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Nov 10, 2022
JakubPietrakIntel
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Nov 25, 2022
This PR removes/modifies a couple control flow patterns that were used in the `SchNet` implementation that are not traceable with `torch.fx`: * removing the assertion in the forward pass * Replaced calling `scatter` directly with an `Aggregation` module Without these changes, attempting symbolic tracing: ``` from torch_geometric.nn.fx import Transformer from torch_geometric.nn import SchNet model = SchNet() tx = Transformer(model, debug=True) tx.transform() ``` fails with: ``` TraceError: symbolically traced variables cannot be used as inputs to control flow ``` Co-authored-by: rusty1s <matthias.fey@tu-dortmund.de>
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This PR removes/modifies a couple control flow patterns that were used in the
SchNetimplementation that are not traceable withtorch.fx:scatterdirectly with anAggregationmoduleWithout these changes, attempting symbolic tracing:
fails with: