It seems strange to set the lowest value of valid accuracy as the best result.

microsoft / gated-graph-neural-network-samples

Sample Code for Gated Graph Neural Networks

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It seems strange to set the lowest value of valid accuracy as the best result. #5

Closed jenniferSun27 closed 6 years ago

jenniferSun27 commented 6 years ago

In chem_tensorflow.py Line 279:"if val_acc < best_val_acc". It seems to choose smaller accuracy as the best result, so that the network always run 25 epochs. Is this a mistaken?

Thank you very much. Jennifer

mmjb commented 6 years ago

The "accuracy" here refers to "mean absolute error relative to chemical accuracy" (see Gilmer et al: "Neural Message Passing for Quantum Chemistry", Sect. 8 for details). For this, smaller is better, but I agree that the name of the measure is confusing...

jenniferSun27 commented 6 years ago

Oh I see... Thank you for answering.