activity
20182023
most citedLearning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide

64 citations · 149 across the 8 of their papers we have counts for

collaborators

8 papers

cond-mat.soft2023★ 9 cited

Unraveling the glass-like dynamic heterogeneity in ring polymer melts: From semi-flexible to stiff chain

Shota Goto, Kang Kim, Nobuyuki Matubayasi

Ring polymers are an intriguing class of polymers with unique physical properties, and understanding their behavior is important for developing accurate theoretical models. In this…

cond-mat.soft2023★ 21 cited

Revealing the hidden dynamics of confined water in acrylate polymers: Insights from hydrogen-bond lifetime analysis

Kokoro Shikata, Takuma Kikutsuji, Nobuhiro Yasoshima +2

Polymers contain functional groups that participate in hydrogen bond (H-bond) with water molecules, establishing a robust H-bond network that influences bulk properties. This study…

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…

cond-mat.soft2020★ 7 cited

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…

cs.CV2020

1-Point RANSAC-Based Method for Ground Object Pose Estimation

Jeong-Kyun Lee, Young-Ki Baik, Hankyu Cho +2

Solving Perspective-n-Point (PnP) problems is a traditional way of estimating object poses. Given outlier-contaminated data, a pose of an object is calculated with PnP algorithms o…

physics.chem-ph2020★ 64 cited

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…

cs.CL2018★ 1 cited

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…