47 citations · 47 across the 1 of their papers we have counts for
4 papers
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…
Understanding the scaling of boson peak through insensitivity of elastic heterogeneity to bending rigidity in polymer glasses
Naoya Tomoshige, Shota Goto, Hideyuki Mizuno +3
Amorphous materials exhibit peculiar mechanical and vibrational properties, including non-affine elastic responses and excess vibrational states, i.e., the so-called boson peak. Fo…
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide
Yusuke Mori, Kei-ichi Okazaki, Toshifumi Mori +2
We propose a cross-entropy minimization method for finding the reaction coordinate from a large number of collective variables in complex molecular systems. This method is an exten…
Incorporating Word Embeddings into Open Directory Project based Large-scale Classification
Kang-Min Kim, Aliyeva Dinara, Byung-Ju Choi +1
Recently, implicit representation models, such as embedding or deep learning, have been successfully adopted to text classification task due to their outstanding performance. Howev…