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- W4230124666 abstract "In this paper, we demonstrate a novel application of the Transformer self-attention mechanism. Our network, the Compositionally-Restricted Attention-Based network, referred to as CrabNet, explores the area of structure-agnostic materials property predictions when only a chemical formula is provided.Our results show that CrabNet's performance matches or exceeds current best practice methods on nearly all of 28 total benchmark datasets. We also demonstrate how CrabNet's architecture lends itself towards model interpretability by showing different visualization approaches that are made possible by CrabNet's design.We feel confident that CrabNet, and its attention-based framework, will be of keen interest to future materials informatics researchers." @default.
- W4230124666 created "2022-05-11" @default.
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- W4230124666 date "2020-12-17" @default.
- W4230124666 modified "2023-10-17" @default.
- W4230124666 title "Compositionally-Restricted Attention-Based Network for Materials Property Prediction" @default.
- W4230124666 doi "https://doi.org/10.26434/chemrxiv.11869026.v2" @default.
- W4230124666 hasPublicationYear "2020" @default.
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