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FabianFuchsML / se3-transformer-public

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503
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QM9 Evaluation Question #23

Closed chao1224 closed 2 years ago

chao1224 commented 2 years ago

Hi there,

Thank you for sharing the code.

I have one minor question on the QM9 experiments.

In the evaluation function for QM9, you are using a rescaled loss, which calls this function. The argument is denormalize=FLAGS.task, so it will report the denormalized result.

If so, then this rescaled loss is unit * std * MAE(y, \hat y), while our goal is to evaluate unit * MAE(y, \hat y). Can you help confirm this?

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Follow-ups.

I figured out that the normalizing step is in the get_item function. No questions then.