A molecule is rotated and translated before being processed by an E -equivarian...

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A molecule is rotated and translated before being processed by an E-equivariant neural network. Which behaviour is desired?

Coordinate-dependent outputs transform consistently under rotations but not translations, so translating the molecule may change the final property prediction.

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Coordinate-dependent intermediate outputs transform consistently with the rotation and translation, while the final molecular property prediction remains unchanged.

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Coordinate-dependent intermediate outputs remain unchanged under rotation and translation, while the final property prediction changes with the coordinate system.

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