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Graph neural networks classify molecular geometry and design novel order parameters of crystal and liquid

The Journal of chemical physics, 2023-08, Vol.159 (6)

2023

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Application of deep learning to inverse design of phase separation structure in polymer alloy

Computational materials science, 2021-04, Vol.190, p.110278, Article 110278

2021

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Learned pseudo-random number generator: WGAN-GP for generating statistically robust random numbers

PloS one, 2023-06, Vol.18 (6), p.e0287025-e0287025

2023

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A phase-field model by an Ising machine and its application to the phase-separation structure of a diblock polymer

Scientific reports, 2022-06, Vol.12 (1), p.10794-10794, Article 10794

2022

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Development of optimization method for truss structure by quantum annealing

Scientific reports, 2024-06, Vol.14 (1), p.13872-13, Article 13872

2024

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Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime

ACS applied materials & interfaces, 2023-02, Vol.15 (6), p.8567-8578

2023

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In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice

Communications chemistry, 2024-05, Vol.7 (1), p.117-11, Article 117

2024

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Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein-ligand binding affinities

Communications biology, 2022-05, Vol.5 (1), p.481-481, Article 481

2022

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Endovascular Treatment of Cerebral Venous Circulation Dysfunction Caused by Hemodialysis Shunt: A Case Report

Journal of Neuroendovascular Therapy, 2022, Vol.16(12), pp.606-611

2022

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Efficient Monte Carlo Sampling for Molecular Systems Using Continuous Normalizing Flow

Journal of chemical theory and computation, 2022-03, Vol.18 (3), p.1395-1405

2022

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Novel real number representations in Ising machines and performance evaluation: Combinatorial random number sum and constant division

PloS one, 2024-06, Vol.19 (6), p.e0304594

2024

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Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations

Journal of chemical theory and computation, 2024-01, Vol.20 (2), p.819-831

2024

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Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models

Journal of chemical information and modeling, 2023-01, Vol.63 (1), p.76-86

2023

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MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data

Soft matter, 2022-11, Vol.18 (44), p.8446-8455

2022

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Relation in ligand dynamics and protein mutation using unsupervised machine learning

Biophysical journal, 2023-02, Vol.122 (3), p.182a-182a

2023

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Detection of molecular behavior that characterizes systems using a deep learning approach

Nanoscale, 2019-05, Vol.11 (2), p.164-171

2019

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Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies

Journal of chemical information and modeling, 2022-12, Vol.62 (24), p.6544-6552

2022

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Application of factorization machine with quantum annealing to hyperparameter optimization and metamodel‐based optimization in granular flow simulations

International journal for numerical and analytical methods in geomechanics, 2024-09, Vol.48 (13), p.3432-3451

2024

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Development of a deep-learning model for phase-separation structure of diblock copolymer based on self-consistent field analysis

Advanced composite materials, 2024-02, p.1-14

2024

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Inverse estimation method for internal defects based on surface stress of carbon-fiber-reinforced plastics using machine learning

Advanced composite materials, 2022-11, Vol.31 (6), p.617-629

2022

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Novel approach for designing order parameters of clathrate hydrate structures by graph neural network

The Journal of chemical physics, 2024-02, Vol.160 (6)

2024

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Mechanical Thrombectomy for Acute Ischemic Stroke Caused by Prosthetic Aortic Valve Endocarditis Due to Exophiala dermatitidis Infection: A Case Report

NMC Case Report Journal, 2021, Vol.8(1), pp.835-840

2021

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Variational quantum algorithm for generalized eigenvalue problems and its application to the finite-element method

Physical review. A, 2023-08, Vol.108 (2), Article 022429

2023

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A multi-center, prospective study on the progression rate of asymptomatic ventriculomegaly with features of idiopathic normal pressure hydrocephalus on magnetic resonance imaging to idiopathic normal pressure hydrocephalus

Journal of the neurological sciences, 2020-12, Vol.419, p.117166-117166, Article 117166

2020

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Endovascular Treatment of Cerebral Venous Circulation Dysfunction Caused by Hemodialysis Shunt: A Case Report

Journal of Neuroendovascular Therapy, 2022, pp.cr.2022-0040

2022

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Graph neural networks classify molecular geometry and design novel order parameters of crystal and liquid

Application of deep learning to inverse design of phase separation structure in polymer alloy

Learned pseudo-random number generator: WGAN-GP for generating statistically robust random numbers

A phase-field model by an Ising machine and its application to the phase-separation structure of a diblock polymer

Development of optimization method for truss structure by quantum annealing

Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime

In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice

Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein-ligand binding affinities

Endovascular Treatment of Cerebral Venous Circulation Dysfunction Caused by Hemodialysis Shunt: A Case Report

Efficient Monte Carlo Sampling for Molecular Systems Using Continuous Normalizing Flow

Novel real number representations in Ising machines and performance evaluation: Combinatorial random number sum and constant division

Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations

Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models

MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data

Relation in ligand dynamics and protein mutation using unsupervised machine learning

Detection of molecular behavior that characterizes systems using a deep learning approach

Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies

Application of factorization machine with quantum annealing to hyperparameter optimization and metamodel‐based optimization in granular flow simulations

Development of a deep-learning model for phase-separation structure of diblock copolymer based on self-consistent field analysis

Inverse estimation method for internal defects based on surface stress of carbon-fiber-reinforced plastics using machine learning

Novel approach for designing order parameters of clathrate hydrate structures by graph neural network

Mechanical Thrombectomy for Acute Ischemic Stroke Caused by Prosthetic Aortic Valve Endocarditis Due to Exophiala dermatitidis Infection: A Case Report

Variational quantum algorithm for generalized eigenvalue problems and its application to the finite-element method

A multi-center, prospective study on the progression rate of asymptomatic ventriculomegaly with features of idiopathic normal pressure hydrocephalus on magnetic resonance imaging to idiopathic normal pressure hydrocephalus

Endovascular Treatment of Cerebral Venous Circulation Dysfunction Caused by Hemodialysis Shunt: A Case Report

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