Compositionally restricted attention-based network for materials property predictions

Abstract In this paper, we demonstrate an application of the Transformer self-attention mechanism in the context of materials science. Our network, the Compositionally Restricted Attention-Based network (CrabNet), explores the area of structure-agnostic materials property predictions when only a che...

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Autores principales: Anthony Yu-Tung Wang, Steven K. Kauwe, Ryan J. Murdock, Taylor D. Sparks
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/84ef20134dd54902b0ccba0b112204ea
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