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cs.LG2023★ 1 cited
On Data Imbalance in Molecular Property Prediction with Pre-training
Limin Wang, Masatoshi Hanai, Toyotaro Suzumura +2
Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and…
cs.LG2023★ 1 cited
Is Self-Supervised Pretraining Good for Extrapolation in Molecular Property Prediction?
Shun Takashige, Masatoshi Hanai, Toyotaro Suzumura +2
The prediction of material properties plays a crucial role in the development and discovery of materials in diverse applications, such as batteries, semiconductors, catalysts, and…