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20182023
most citedExplaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)

47 citations · 77 across the 4 of their papers we have counts for

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2 papers · 1 filter

cs.CL2022

Efficient Pre-training of Masked Language Model via Concept-based Curriculum Masking

Mingyu Lee, Jun-Hyung Park, Junho Kim +2

Masked language modeling (MLM) has been widely used for pre-training effective bidirectional representations, but incurs substantial training costs. In this paper, we propose a nov…

physics.chem-ph2022★ 47 cited

Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)

Takuma Kikutsuji, Yusuke Mori, Kei-ichi Okazaki +3

A method for obtaining appropriate reaction coordinates is required to identify transition states distinguishing product and reactant in complex molecular systems. Recently, abunda…