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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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Landslide Susceptibility Mapping Using RBFN-Based Ensemble Machine Learning Models

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 467-500页

作者： Landslide Susceptibility Mapping Using RBFN-Based Ensemble Machine Learning Models Duc-Dam nguyen nguyen viet Tiep Quynh-Anh Thi Bui Hiep Van Le Indra Prakash Romulus Costache Manish Pandey Binh Thai Pham Faculty of Civil Engineering University of Transport TechnologyThanh XuanHa Noi100000Vietnam Faculty of Hydraulic Engineering Hanoi University of Civil EngineeringHa Noi100000Vietnam DDG(R)Geological Survey of India Gandhinagar382010India Research Institute of the University of Bucharest Bucharest050663Romania National Institute of Hydrology and Water Management Bucharest013686Romania Department of Civil Engineering Transilvania University of BrasovBrasov500152Romania Danube Delta National Institute for Research and Development Tulcea820112Romania Marwadi University Research Center(MURC) Marwadi UniversityRajkotGujaratBharat360003India Department of Civil Engineering Faculty of Engineering&TechnologyMarwadi UniversityRajkotGujaratBharat360003India

This study was aimed to prepare landslide susceptibility maps for the Pithoragarh district in Uttarakhand,India,using advanced ensemble models that combined Radial Basis Function Networks(RBFN)with three ensemble learning techniques:DAGGING(DG),MULTIBOOST(MB),and ADABOOST(AB).This combination resulted in three distinct ensemble models:DG-RBFN,MB-RBFN,and ***,a traditional weighted method,Information Value(IV),and a benchmark machine learning(ML)model,Multilayer Perceptron Neural Network(MLP),were employed for comparison and *** models were developed using ten landslide conditioning factors,which included slope,aspect,elevation,curvature,land cover,geomorphology,overburden depth,lithology,distance to rivers and distance to *** factors were instrumental in predicting the output variable,which was the probability of landslide *** analysis of the models’performance indicated that the DG-RBFN model,with an Area Under ROC Curve(AUC)of 0.931,outperformed the other *** AB-RBFN model achieved an AUC of 0.929,the MB-RBFN model had an AUC of 0.913,and the MLP model recorded an AUC of *** results suggest that the advanced ensemble ML model DG-RBFN was more accurate than traditional statistical model,single MLP model,and other ensemble models in preparing trustworthy landslide susceptibility maps,thereby enhancing land use planning and decision-making.

关键词： Landslide susceptibility map spatial analysis ensemble modelling information values(IV)

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Development of a PARCS/Serpent model for neutronics analysis of the Dalat nuclear research reactor

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Nuclear Science and Techniques 2021年第2期32卷 32-44页

作者： viet-Phu Tran Kien-cuong nguyen Donny Hartanto Hoai-Nam Tran Vinh Thanh Tran Van-Khanh Hoang Pham Nhu viet Ha Institute for Nuclear Science and Technology(INST) Vietnam Atomic Energy Institute(VINATOM)179 Hoang Quoc Viet str.Cau Giay DistrictHanoi 100000Vietnam Nuclear Research Institute(NRI) Vietnam Atomic Energy Institute(VINATOM)01 Nguyen Tu LucDalatLamdong 670000Vietnam Department of Mechanical and Nuclear Engineering University of SharjahPO.BOX 27272SharjahUnited Arab Emirates Institute of Fundamental and Applied Sciences Duy Tan UniversityHo Chi Minh city 700000Vietnam Faculty of Natural Science Duy Tan UniversityDanang 550000Vietnam Nuclear Safety Division Technical Support Center for Radiation and Nuclear Safety and Emergency ResponseVietnam Agency for Radiation and Nuclear Safety(VARANS)113 Tran Duy Hung str.Cau Giay DistrictHanoi 100000Vietnam

Cross-sectional homogenization for full-core calculations of small and complex reactor configurations,such as research reactors,has been recently recognized as an interesting and challenging *** paper presents the development of a PARCS/Serpent model for the neutronics analysis of a research reactor type TRIGA Mark-II loaded with Russian VVR-M2 fuel(known as the Dalat Nuclear Research Reactor or DNRR).The full-scale DNRR model and a supercell model for a shim/safety rod and its surrounding fuel bundles with the Monte Carlo code Serpent 2 were proposed to generate homogenized fewgroup cross sections for full-core diffusion calculations with *** full-scale DNRR model with Serpent 2 was also utilized as a reference to verify the PARCS/Serpent *** of the effective neutron multiplication factors,radial and axial core power distributions,and control rod worths showed a generally good agreement between PARCS and Serpent *** addition,the discrepancies between the PARCS and Serpent 2 results are also ***,the results indicate the applicability of the PARCS/Serpent model for further steady state and transient analyses of the DNRR.

关键词： PARCS Serpent 2 Group constant DNRR

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Modeling bending behavior of shape memory alloy wire-reinforced composites: Semi-analytical model and finite element analysis

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Chinese Journal of Aeronautics 2021年第8期34卷 176-191页

作者： nguyen Van viet Wael ZAKI Department of Mechanical Engineering Khalifa University of Science and TechnologyAbu DhabiUnited Arab Emirates

In this study,we propose a novel and simple exact semi-analytical model for superelastic Shape Memory Alloy(SMA)wire reinforced composites subjected to bending *** order to study the mechanical response of the composite during loading/unloading,a Representative Volume Element(RVE)is extracted to examine the bending response of the *** moment–curvature,and shear force-shear strain relations are derived based on a 3-Dimensional(3 D)thermomechanical SMA model and Timoshenko beam *** composite Simpson’s rule is adopted to numerically solve the exact analytical moment–curvature and shear force-shear strain *** including the moment–curvature response,axial stress distribution along the vertical and longitudinal directions,martensite volume fraction,and the tip deflection are reported and validated against 3 D finite element *** influence of temperature,martensite volume fraction distribution,and matrix stiffness on the mechanical performance of the composite is also *** particular,the composite is found to behave superelastically under certain conditions of temperature,SMA volume fraction,and elastic stiffness of the *** behavior is advantageous in applications requiring large recoverable strains or high energy dissipation density.

关键词： Bending Finite element analysis Modelling Phase transformation Shape memory alloy reinforced composite Superelasticity

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A Method of Integrating Length Constraints into Encoder-Decoder Transformer for Abstractive Text Summarization

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Intelligent Automation & Soft Computing 2023年第10期38卷 1-18页

作者： Ngoc-Khuong nguyen Dac-Nhuong Le viet-Ha nguyen Anh-cuong Le Faculty of Information Technology Haiphong UniversityHaiphong180000Vietnam Faculty of Information Technology VNU University of Engineering and TechnologyHanoi10000Vietnam Natural Language Processing and Knowledge Discovery Laboratory Faculty of Information TechnologyTon Duc Thang UniversityHo Chi Minh CityVietnam

Text summarization aims to generate a concise version of the original *** longer the summary text is,themore detailed it will be fromthe original text,and this depends on the intended ***,the problem of generating summary texts with desired lengths is a vital task to put the research into *** solve this problem,in this paper,we propose a new method to integrate the desired length of the summarized text into the encoder-decoder model for the abstractive text summarization *** length parameter is integrated into the encoding phase at each self-attention step and the decoding process by preserving the remaining length for calculating headattention in the generation process and using it as length embeddings added to theword *** conducted experiments for the proposed model on the two data sets,Cable News Network(CNN)Daily and NEWSROOM,with different desired output *** obtained results show the proposed model’s effectiveness compared with related studies.

关键词： Length controllable abstractive text summarization length embedding

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Design and Demonstration of a Locust-Like Jumping Mechanism for Small-Scale Robots

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Journal of Bionic Engineering 2012年第3期9卷 271-281页

作者： Quoc-viet nguyen Hoon Cheol Park Department of Advanced Technology Fusion Konkuk University Seoul 143-701 Republic of Korea

A jumping mechanism can be an efficient mode of motion for small robots to overcome large obstacles on the ground and rough terrain. In this paper, we present a 7 g prototype of locust-inspired jumping mechanism that uses springs, wire, reduction gears, and a motor as the actuation components. The leg structure and muscles of a locust or grasshopper were mimicked using springs and wire, springs for passive extensor muscles, and a wire as a flexor muscle. A small motor was used to slowly charge the spring through a lever and gear system, and a cam with a special profile was used as a clicking mechanism for quick release of elastic energy stored in the springs to create a sudden kick for a quick jump. Performance analysis and experiments were conducted for comparison and performance estimation of the jumping mechanism prototype. Our prototype could produce standing jumps over obstacles that were about 14 times its own size （approximate to 71 cm） and a jumping distance of 20 times its own size （approximate to 100 cm）.

关键词： biomimetics locust jumping mechanism passive tibia extensor muscle

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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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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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Scouring of a granular bed by dam break: Experimental study and numerical simulation by a VOF-LPT coupling

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International Journal of Sediment Research 2023年第3期38卷 432-445页

作者： Quyen Thi Le nguyen viet Dung nguyen Patrice Coorevits EPROAD Research Unit University of Picardie Jules Verne IUT of Aisne Hanoi University of Civil Engineering

The first part of the research reported here consists of an experimental campaign to study the scouring of a granular bed(glass beads, sand) induced by a dam break in an open channel. Two configurations are considered: with and without cylinders. In the second part of this study, the volume of fluid method coupled with the shear stress transport turbulent model and the lagrangian particle tracking method is used to simulate the local scour processes. The four-way coupling is realized by considering the drag force and collisions between particles. Using a vortex map and velocity profiles, the flow dynamics and scour pattern can be studied. The current research also focuses on the profiles of the erodible particle bed and the sediment transport rate to study the effects of a cylinder on local scour. The presence of the cylinder increases the experimental erosion depth by up to 42%. It was found that for relatively close particle diameters(2 and 3 mm), a granular bed with larger porosity(larger diameter) erodes the *** and numerically it was found that the center of the granular bed experiences more erosion compared to the channel sides. In the last part of the research, comparisons between the numerical results and the experimental data allowed risk areas to be identified and the roles of porosity,sediment density, and flow dynamics on erosion to be identified.

关键词： Volume of fluid Lagrangian particle tracking Scour Granular bed Cylinder Dam break

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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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