Applying Bilinear Transduction to materials and molecules improves zero-shot prediction of property values beyond the training range on several benchmarks.
Chemical Science 11(19), 4871–4881 (2020)
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Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules
Applying Bilinear Transduction to materials and molecules improves zero-shot prediction of property values beyond the training range on several benchmarks.