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Towards understanding structure–property relations in materials with interpretable deep learning

npj Computational Materials 2023年第1期9卷 157-168页

作者： Tien-Sinh Vu Minh-Quyet Ha Duong-nguyen nguyen viet-cuong nguyen Yukihiro Abe Truyen Tran Huan Tran Hiori Kino Takashi Miyake Koji Tsuda Hieu-Chi Dam Japan Advanced Institute of Science and Technology NomiIshikawaJapan HPC SYSTEMS Inc. MinatoTokyoJapan Applied Artificial Intelligence Institute Deakin UniversityGeelongVICAustralia School of Materials Science and Engineering Georgia Institute of TechnologyAtlantaGAUSA Research and Services Division of Materials Data and Integrated System National Institute for Materials ScienceTsukubaIbarakiJapan Research Center for Computational Design of Advanced Functional Materials National Institute of Advanced Industrial Science and TechnologyTsukubaIbarakiJapan Department of Computational Biology and Medical Sciences Graduate School of Frontier SciencesUniversity of TokyoKashiwa-shiChiba-kenJapan International Center for Synchrotron Radiation Innovation Smart(SRIS) Tohoku UniversityAoba-kuSendaiJapan

Deep learning(DL)models currently employed in materials research exhibit certain limitations in delivering meaningful information for interpreting predictions and comprehending the relationships between structure and material *** address these limitations,we propose an interpretable DL architecture that incorporates the attention mechanism to predict material properties and gain insights into their structure–property *** proposed architecture is evaluated using two well-known datasets(the QM9 and the Materials Project datasets),and three in-house-developed computational materials ***–test–split validations confirm that the models derived using the proposed DL architecture exhibit strong predictive capabilities,which are comparable to those of current state-of-the-art ***,comparative validations,based on first-principles calculations,indicate that the degree of attention of the atoms’local structures to the representation of the material structure is critical when interpreting structure–property relationships with respect to physical *** properties encompass molecular orbital energies and the formation energies of *** proposed architecture shows great potential in accelerating material design by predicting material properties and explicitly identifying crucial features within the corresponding structures.

关键词： properties property structure

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Wedelolactone from Eclipta prostrata(L)*** inflammation and improves insulin resistance

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Asian Pacific Journal of Tropical Biomedicine 2024年第6期14卷 253-258页

作者： Trinh Tat cuong Duong Duc Thien Hoang Hai Yen nguyen Anh Duc Trinh Quang Nam Do viet Khanh Key Laboratory for Enzyme and Protein Technology Vietnam National University University of ScienceHanoiVietnam Faculty of Biology Vietnam National University University of ScienceHanoiVietnam Hanoi University of Pharmacy HanoiVietnam Vinschool HanoiVietnam

Objective:To evaluate the effects of wedelolactone,a major flavonoid from vietnamese Eclipta prostrata(L)L.,on inflammation and insulin ***:Wedelolactone was extracted from the leaves of vietnamese Eclipta prostrata(L.)*** methanol by *** effects of wedelolactone on lipopolysaccharide(LPS)-induced cytokine production,reactive oxygen species(ROS)generation,and nicotinamide adenine dinucleotide phosphate(NADPH)oxidase activities in Raw 264.7 cells were measured by enzyme-linked immunosorbent assay(ELISA),specific immunofluorescent dyes and luminometric analysis,*** addition,its effects on glucose uptake and the protein expression of insulin receptor substrate 1(IRS1)and glucose transporter 4(GLUT4)were examined in 3T3-L1 cells by immunofluorescent dyes and Western ***:Wedelolactone at 30μg/mL significantly inhibited LPS-induced production of tumor necrosis factor-α,interleukin(IL)-6,and IL-8(P<0.01)with no noticeable effects on IL-10 *** also reduced ROS generation and NADPH oxidase activities in LPS-stimulated Raw 264.7 cells(P<0.01).Furthermore,wedelolactone showed anti-insulin resistance activity,as evidenced by improved glucose uptake and the upregulated expression of IRS1 and GLUT4 in 3T3-L1 cells(P<0.01).Conclusions:Wedelolactone exhibits anti-inflammation and anti-insulin resistance effects,which may be used for the treatment of diabetes and inflammation-associated diseases.

关键词： Wedelolactone Eclipta prostrata Inflammatory responses Anti-insulin resistance Diabetes IRS1 GLUT4

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An isogeometric approach to static and transient analysis of fluid-infiltrated porous metal foam piezoelectric nanoplates with flexoelectric effects and variable nonlocal parameters

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Frontiers of Structural and Civil Engineering 2024年第3期18卷 461-489页

作者： Quoc-Hoa PHAM Van Ke Tran Phu-cuong nguyen Faculty of Engineering and Technology Nguyen Tat Thanh UniversityHo Chi Minh City 700000Vietnam Faculty of Mechanical Engineering Le Quy Don Technical UniversityHanoi 100000Vietnam Advanced Structural Engineering Laboratory Department of Structural EngineeringFaculty of Civil EngineeringHo Chi Minh City Open UniversityHo Chi Minh City 700000Vietnam

In this work,a novel refined higher-order shear deformation plate theory is integrated with nonlocal elasticity theory for analyzing the free vibration,bending,and transient behaviors of fluid-infiltrated porous metal foam piezoelectric nanoplates resting on Pasternak elastic foundation with flexoelectric *** analysis(IGA)and the Navier solution are applied to the *** innovation in the present study is that the influence of the in-plane variation of the nonlocal parameter on the free and forced vibration of the piezoelectric nanoplates is investigated for the first *** nonlocal parameter and material characteristics are assumed to be material-dependent and vary gradually over the thickness of *** on Hamilton’s principle,equations of motion are built,then the IGA approach combined with the Navier solution is used to analyze the static and dynamic response of the ***,we investigate the effects of the porosity coefficients,flexoelectric parameters,elastic stiffness,thickness,and variation of the nonlocal parameters on the mechanical behaviors of the rectangular and elliptical piezoelectric nanoplates.

关键词： isogeometric analysis fluid-infiltrated porous piezoelectric nanoplates static and transient analysis flexoelectric effect variable nonlocal parameters

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A Comprehensive Survey of Recent Transformers in Image,Video and Diffusion Models

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Computers, Materials & Continua 2024年第7期80卷 37-60页

作者： Dinh Phu cuong Le Dong Wang viet-Tuan Le College of Computer Science and Electronic Engineering Hunan UniversityChangsha410082China Faculty of Information Technology Yersin University of Da LatDa Lat66100Vietnam Faculty of Information Technology Ho Chi Minh City Open UniversityHo Chi Minh City722000Vietnam

Transformer models have emerged as dominant networks for various tasks in computer vision compared to Convolutional Neural Networks(CNNs).The transformers demonstrate the ability to model long-range dependencies by utilizing a self-attention *** study aims to provide a comprehensive survey of recent transformerbased approaches in image and video applications,as well as diffusion *** begin by discussing existing surveys of vision transformers and comparing them to this ***,we review the main components of a vanilla transformer network,including the self-attention mechanism,feed-forward network,position encoding,*** the main part of this survey,we review recent transformer-based models in three categories:Transformer for downstream tasks,Vision Transformer for Generation,and Vision Transformer for *** also provide a comprehensive overview of recent transformer models for video tasks and diffusion *** compare the performance of various hierarchical transformer networks for multiple tasks on popular benchmark ***,we explore some future research directions to further improve the field.

关键词： Transformer vision transformer self-attention hierarchical transformer diffusion models

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Truly optimal semi-active damping to control free vibration of a single degree of freedom system

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Theoretical & Applied Mechanics Letters 2024年第2期14卷 142-145页

作者： viet Duc La Ngoc Tuan nguyen Institute of Mechanics Vietnam Academy of Science and TechnologyHanoi 10000Vietnam Graduate University of Science and Technology Vietnam Academy of Science and TechnologyHanoi 10000Vietnam

This paper studies a single degree of freedom system under free vibration and controlled by a general semiactive damping.A general integral of squared error is considered as the performance index.A one-time switching damping controller is proposed and *** pontryagin maximum principle is used to prove that no other form of semi-active damping can provide the better performance than the proposed one-time switching damping.

关键词： Analytical optimization Quadratic integral Lyapunov equation Pontryagin maximum principle

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Forecasting measured responses of structures using temporal deep learning and dual attention

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Frontiers of Structural and Civil Engineering 2024年第6期18卷 832-850页

作者： viet-Hung DANG Trong-Phu nguyen Thi-Lien PHAM Huan X.nguyen Department of Structural Mechanics Hanoi University of Civil EngineeringHanoi 11600Vietnam Faculty of Applied Science University of Economics-Technology for IndustriesHanoi 11600Vietnam London Digital Twin Research Centre Faculty of Science and TechnologyMiddlesex UniversityLondon NW44BTUK International School Vietnam National UniversityHanoi 11600Vietnam

The objective of this study is to develop a novel and efficient model for forecasting the nonlinear behavior of structures in response to time-varying random *** key idea is to design a deep learning architecture to leverage the relationships,between external excitations and structure's vibration signals,and between historical values and future values,within multiple time-series *** proposed method consists of two main steps:the first step applies a global attention mechanism to combine multiple-measured time series and time-varying excitation into a weighted time series before feeding it to a temporal architecture;the second step utilizes a self-attention mechanism followed by a fully connected layer to predict multi-step future *** viability of the proposed method is demonstrated via two case studies involving synthetic data from a three-dimensional(3D)reinforced concrete structure and experimental data from an 18-story steel ***,comparison and robustness studies are carried out,showing that the proposed method outperforms conventional methods and maintains high performance in the presence of noise with an amplitude of less than 10%.

关键词： structural dynamic time-varying excitation deep learning signal processing response forecasting

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Exact solution for thermal vibration of multi-directional functionally graded porous plates submerged in fluid medium

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Defence Technology（防务技术） 2024年第5期35卷 77-99页

作者： Quoc-Hoa Pham Van Ke Tran Phu-cuong nguyen Faculty of Engineering and Technology Nguyen Tat Thanh UniversityHo Chi Minh CityViet Nam Faculty of Mechanical Engineering Le Quy Don Technical UniversityHanoiViet Nam Advanced Structural Engineering Laboratory Department of Structural EngineeringFaculty of Civil EngineeringHo Chi Minh City Open UniversityHo Chi Minh CityViet Nam

An analytical method for analyzing the thermal vibration of multi-directional functionally graded porous rectangular plates in fluid media with novel porosity patterns is developed in this *** properties of MFG porous plates change according to the length,width,and thickness directions for various materials and the porosity distribution which can be widely applied in many fields of engineering and defence ***,new porous rules that depend on spatial coordinates and grading indexes are proposed in the present *** Hamilton's principle and the refined higher-order shear deformation plate theory,the governing equation of motion of an MFG porous rectangular plate in a fluid medium(the fluid-plate system)is *** fluid velocity potential is derived from the boundary conditions of the fluid-plate system and is used to compute the extra *** GalerkinVlasov solution is used to solve and give natural frequencies of MFG porous plates with various boundary conditions in a fluid *** validity and reliability of the suggested method are confirmed by comparing numerical results of the present work with those from available works in the *** effects of different parameters on the thermal vibration response of MFG porous rectangular plates are studied in *** findings demonstrate that the behavior of the structure within a liquid medium differs significantly from that within a vacuum ***,they offer appropriate operational approaches for the structure when employed in various mediums.

关键词： Plate-fluid contact Galerkin Vlasov's method Multi-directional functionally graded plate Novel porosity Thermal vibration Refined higher-order shear deformation theory

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Heterogeneous decentralised machine unlearning with seed model distillation

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CAAI Transactions on Intelligence Technology 2024年第3期9卷 608-619页

作者： Guanhua Ye Tong Chen Quoc viet Hung nguyen Hongzhi Yin School of Information Technology and Electrical Engineering The University of QueenslandSt LuciaQueenslandAustralia School of Information and Communication Technology Griffith UniversityBrisbaneQueenslandAustralia

As some recent information security legislation endowed users with unconditional rights to be forgotten by any trained machine learning model,personalised IoT service pro-viders have to put unlearning functionality into their *** most straight-forward method to unlearn users'contribution is to retrain the model from the initial state,which is not realistic in high throughput applications with frequent unlearning *** some machine unlearning frameworks have been proposed to speed up the retraining process,they fail to match decentralised learning scenarios.A decentralised unlearning framework called heterogeneous decentralised unlearning framework with seed(HDUS)is designed,which uses distilled seed models to construct erasable en-sembles for all ***,the framework is compatible with heterogeneous on-device models,representing stronger scalability in real-world *** experiments on three real-world datasets show that our HDUS achieves state-of-the-art performance.

关键词： data mining data privacy machine learning

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Dry eye rate and its relationship with disease stage in patients with primary hypertension:a cross-sectional study in vietnam

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International Journal of Ophthalmology(English edition) 2024年第4期17卷 653-658页

作者： Tran Tat Thang Pham Hong Phuong nguyen Sa Huynh nguyen Trung Kien nguyenDuy Toan nguyen Thi Thu Ha Le Ha Khoa nguyen Huu Dung Thai Doan Thang Le viet Thang Nghe An Eye Hospital Nghe An 43000Vietnam Nghe An Friendship General Hospital Nghe An 43000Vietnam Military Hospital 103 Ha Noi 100000Vietnam vietnam Military Medical University Ha Noi 100000Vietnam Hanoi Medical University Ha Noi 100000Vietnam Bạch Mai Hospital Ha Noi 100000Vietnam TTH Vinh General Hospital Nghe An 100000Vietnam

AIM:To determine the dry eye(DE)rate and its relationship with disease stage in patients with primary ***:A cross-sectional study included 432 patients with primary hypertension(with an equal number of patients in each group:144 in stage Ⅰ,Ⅱ,and Ⅲ hypertension)and 144 healthy subjects as a control *** Ocular Surface Disease Index(OSDI)and Schirmer Ⅰ test without anesthetics were conducted on all 576 *** with OSDI scores<13 and Schirmer Ⅰ values equal to or under 10 mm were diagnosed with ***:The ratio of DE in hypertension patients was higher than in the control group(41.7%versus 18.8%;P<0.001).The proportion of patients with DE increased gradually according to the hypertension stage:27.1% in stage Ⅰ,40.3% in stage Ⅱ,and 57.6% in stage Ⅲ,P<***,duration of hypertension,plasma urea,creatinine,and high-sensitivity C-reactive protein(CRP-hs)levels in hypertension patients with DE were higher than those without DE,P<*** age,a long duration of hypertension,diabetes mellitus,elevated plasma creatinine,and CRP-hs levels were independent factors associated with DE in primary hypertension patients,P<***:DE is a common disorder associated with advanced age,a long duration of hypertension,diabetes mellitus,elevated plasma CRP-hs,and creatinine levels in patients with primary hypertension.

关键词： primary hypertension dry eye stage of hypertension plasma creatinine

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A concise review on surface and structural modification of porous zeolite scaffold for enhanced hydrogen storage

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Chinese Journal of Chemical Engineering 2024年第6期70卷 33-53页

作者： B.A.Abdulkadir R.S.R.Mohd Zaki A.T.Abd Wahab S.N.Miskan Anh-Tam nguyen Dai-viet N.Vo H.D.Setiabudi Centre for Research in Advanced Fluid&Processes Universiti Malaysia Pahang Al-Sultan AbdullahLebuh Persiaran Tun Khalil YaakobGambangPahang 26300Malaysia Faculty of Chemical&Process Engineering Technology Universiti Malaysia Pahang Al-Sultan AbdullahLebuh Persiaran Tun Khalil YaakobGambangPahang 26300Malaysia Center of Excellence for Green Energy and Environmental Nanomaterials(CE@GrEEN) Nguyen Tat Thanh University300A Nguyen Tat ThanhDistrict 4Ho Chi Minh City 755414Viet Nam

Investigating zeolites as hydrogen storage scaffolds is imperative due to their porous nature and favorable physicochemical ***,the storage capacity of the unmodified zeolites has been rather unsatisfactory(0.224%-1.082%(mass))compared to its modified ***,the contemporary focus on enhancing hydrogen storage capacities has led to significant attention towards the utilization of modified zeolites,with studies exploring surface modifications through physical and chemical treatments,as well as the integration of various active *** enhanced hydrogen storage properties of zeolites are attributed to the presence of aluminosilicates from alkaline and alkaline-earth metals,resulting in increased storage capacity through interactions with the charge density of these ***,there is a great demand to critically review their role such as well-defined topology,pore structure,good thermal stability,and tunable hydrophilicity in enhanced hydrogen *** article aimed to critically review the recent research findings based on modified zeolite performance for enhanced hydrogen *** of the factors affecting the hydrogen storage capacities of zeolites that can affect the rate of reaction and the stability of the adsorbent,like pressure,structure,and morphology were studied,and ***,future perspectives,recommendations,and directions for modified zeolites were discussed.

关键词： Zeolites Hydrogen storage Surface modification Adsorption Active metal

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