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05/03/2023
Shotgun crystal structure prediction using machine-learned formation energies
Stable or metastable crystal structures of assembled atoms can be predic...
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10/24/2022
Composition, Attention, or Both?
In this paper, we propose a novel architecture called Composition Attent...
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01/26/2022
Crystal structure prediction with machine learning-based element substitution
The prediction of energetically stable crystal structures formed by a gi...
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09/10/2021
Modeling Human Sentence Processing with Left-Corner Recurrent Neural Network Grammars
In computational linguistics, it has been shown that hierarchical struct...
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06/02/2021
Lower Perplexity is Not Always Human-Like
In computational psycholinguistics, various language models have been ev...
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10/15/2020
Potentials and challenges of polymer informatics: exploiting machine learning for polymer design
There has been rapidly growing demand of polymeric materials coming from...
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03/06/2020
A Bayesian algorithm for retrosynthesis
The identification of synthetic routes that end with a desired product h...
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12/23/2019
