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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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Adaptive optimal control system design for semi-active suspension system by supposing variable parameters under exogenous road disturbance

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Control Theory and Technology 2025年第1期23卷 64-73页

作者： viet nguyen Hoang Feiqi Deng Chi nguyen Van School of Automation Science and Engineering South China University of TechnologyGuangzhou510640GuangdongChina Thai nguyen University of Technology Thai Nguyen CityVietnam

This article presents an adaptive optimal control method for a semi-active suspension *** model of the suspension system is built,in which the components of uncertain parameters and exogenous disturbance are *** adaptive optimal control law consists of the sum of the optimal control component and the adaptive control ***,the optimal control law is designed for the model of the suspension system after ignoring the components of uncertain parameters and exogenous disturbance caused by the road *** optimal control law expresses the desired dynamic characteristics of the suspension ***,the adaptive component is designed with the purpose of compensating for the effects caused by uncertain parameters and exogenous disturbance caused by the road surface;the adaptive component has adaptive parameter rules to estimate uncertain parameters and exogenous *** exogenous disturbances are eliminated,the system responds with an optimal controller *** separating theoretically the dynamic of a semi-active suspension system,this solution allows the design of two separate controllers easily and has reduced the computational burden and the use of too many tools,thus allowing for more convenient hardware *** simulation results also show the effectiveness of damping oscillations of the proposed solution in this article.

关键词： Quarter car suspension system Semi-active suspension Adaptive control Optimal control Linear-quadratic regulator Exogenous disturbance

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CRITIC-CoCoSoModel Application in Hybrid Solar-Wind Energy Plant Location Selection Problem:A Case Study in vietnam

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Energy Engineering 2025年第2期122卷 515-536页

作者： viet Tinh nguyen Rujira Chaysiri Sirindhorn International Institute of Technology Thammasat UniversityPathumThani12000Thailand

This paper presents a novel multi-criteria decision-making(MCDM)model for selecting optimal locations for a solar-wind hybrid energy plant in *** study employs the Criteria Importance Through Intercriteria Correlation(CRITIC)and Combined Compromise Solution(CoCoSo)methods to address the challenge of evaluating potential sites based on a range of economic,technical,environmental,and social *** integrating CRITIC for criteria weighting and CoCoSo for ranking alternatives,the study underscores the importance of objective,data-driven approaches in the strategic planning and implementation of sustainable energy *** results identifyHamThuanNamDistrict inBinhThuan Province(DA4)as themost suitable site for the solar-wind hybrid energy plant,with a performance score of *** Thiet City(DA3)and Ninh Phuoc District(DA6)rank second and third,with scores of 2.0655 and 1.8723,*** analysis confirms the robustness of the model,showing stable rankings under various scenarios.

关键词： Multi-criteria decision making renewable energy CRITIC CoCoSo

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Privacy-preserving explainable AI: a survey

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Science China(Information Sciences) 2025年第1期68卷 23-56页

作者： Thanh Tam nguyen Thanh Trung HUYNH Zhao REN Thanh Toan nguyen Phi Le nguyen Hongzhi YIN Quoc viet Hung nguyen School of Information and Communication Technology Griffith University School of Computer and Communication Sciences Ecole Polytechnique Federale de Lausanne Faculty of Mathematics and Computer Science University of Bremen Faculty of Information Technology HUTECH University Department of Computer Science Hanoi University of Science and Technology School of Electrical Engineering and Computer Science The University of Queensland

As the adoption of explainable AI(XAI) continues to expand, the urgency to address its privacy implications intensifies. Despite a growing corpus of research in AI privacy and explainability, there is little attention on privacy-preserving model explanations. This article presents the first thorough survey about privacy attacks on model explanations and their countermeasures. Our contribution to this field comprises a thorough analysis of research papers with a connected taxonomy that facilitates the categorization of privacy attacks and countermeasures based on the targeted explanations. This work also includes an initial investigation into the causes of privacy leaks. Finally, we discuss unresolved issues and prospective research directions uncovered in our analysis. This survey aims to be a valuable resource for the research community and offers clear insights for those new to this domain. To support ongoing research, we have established an online resource repository, which will be continuously updated with new and relevant findings.

关键词： privacy-preserving explainable AI privacy attacks privacy defences PrivEx PPXAI

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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： 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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Investigation on cost-effective composites for CO_(2) adsorption from post-gasification residue and metal organic framework

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Journal of Environmental Sciences 2025年第2期148卷 174-187页

作者： Hong Nam nguyen Thu Phuong nguyen Phuong Thu Le Quang Minh Tran Thi Hai Do Trung Dung nguyen Phuong Lan Tran-nguyen Toshiki Tsubota Thi Mai Thanh Dinh University of Science and Technology of Hanoi Vietnam Academy of Science and Technology18 Hoang Quoc VietCau GiayHanoi 100000Vietnam Institute for Tropical Technology Vietnam Academy of Science and Technology18 Hoang Quoc VietCau GiayHanoi 100000Vietnam Faculty of Basic Science Hanoi University of Mining and Geology18 Pho VienDuc ThangNam Tu LiemHanoi 100000Vietnam Faculty of Physical and Chemical Engineering Le Quy Don Technical University236 Hoang Quoc VietBac Tu LiemHanoi 100000Vietnam Department of Mechanical Engineering Can Tho University3/2 streetCan Tho City 94000Vietnam Department of Engineering Graduate School of EngineeringKyushu Institute of Technology1-1 SensuichoTobata-kuKitakyushuFukuoka 804-8550Japan

Cost-effective CO_(2) adsorbents are gaining increasing attention as viable solutions for mitigating climate *** this study,composites were synthesized by electrochemically combining the post-gasification residue of Macadamia nut shell with copper benzene-1,3,5-tricarboxylate(CuBTC).Among the different composites synthesized,the ratio of 1:1 between biochar and CuBTC(B 1:1)demonstrated the highest CO_(2) adsorption *** controlled laboratory conditions(0°C,1 bar,without the influence of ambient moisture or CO_(2) diffusion limitations),B 1:1 achieved a CO_(2) adsorption capacity of 9.8 mmol/g,while under industrial-like conditions(25℃,1 bar,taking into account the impact of ambient moisture and CO_(2) diffusion limitations within a bed of adsorbent),it reached 6.2 mmol/*** values surpassed those reported for various advanced CO_(2) adsorbents investigated in previous *** superior performance of the B 1:1 composite can be attributed to the optimization of the number of active sites,porosity,and the preservation of the full physical and chemical surface properties of both ***,the composite exhibited a notable CO_(2)/N_(2) selectivity and improved stability under moisture *** favorable characteristics make B 1:1 a promising candidate for industrial applications.

关键词： Biochar-based composites CO_(2)adsorption CuBTC Metal organic framework Post-gasification residue

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From Imperfection to Perfection: Advanced 3D Facial Reconstruction Using MICA Models and Self-Supervision Learning

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Computer Modeling in Engineering & Sciences 2025年第2期142卷 1459-1479页

作者： Thinh D.Le Duong Q.nguyen Phuong D.nguyen H.nguyen-Xuan CIRTECH Institute HUTECH UniversityHo Chi Minh City72308Viet Nam

Research on reconstructing imperfect faces is a challenging *** this study,we explore a data-driven approach using a pre-trained MICA(MetrIC fAce)model combined with 3D printing to address this *** propose a training strategy that utilizes the pre-trained MICA model and self-supervised learning techniques to improve accuracy and reduce the time needed for 3D facial structure *** results demonstrate high accuracy,evaluated by the geometric loss function and various statistical *** showcase the effectiveness of the approach,we used 3D printing to create a model that covers facial *** findings indicate that our method produces a model that fits well and achieves comprehensive 3D facial *** technique has the potential to aid doctors in treating patients with facial injuries.

关键词： 3D face reconstruction self-supervised learning face defect 3D printed prototypes

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Persistent challenges in the diagnosis of acute pancreatitis due to primary hyperparathyroidism during pregnancy

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World Journal of Gastroenterology 2025年第7期31卷 1-9页

作者： Thang viet Luong Linh Duy Le Nam Van Duc nguyen Hai nguyen Ngoc Dang Department of Internal Medicine University of Medicine and PharmacyHue UniversityHue 530000Viet Nam Faculty of Medicine Duy Tan UniversityDa Nang 550000Viet Nam

In this manuscript,we provide critical commentary on the systematic review by Augustin et al,which investigated acute pancreatitis induced by primary hyperparathyroidism during *** this is an infrequent complication,it poses severe risks to both maternal and fetal *** to its infrequent occurrence in clinical practice,this review is based on an analysis of individual case reports over the past 55 *** this is not the first study to utilize this sampling method for primary hyperparathyroidism-induced acute pancreatitis,it is unique in that it has a sufficiently large sample size with statistically significant *** discussion focuses on the diagnostic challenges associated with this condition,which are grounded in the mechanisms of parathyroid hormone secretion and variations in serum calcium *** also address the limitations of the current review and suggest potential strategies to increase diagnostic accuracy and improve health outcomes for both mothers and fetuses during pregnancy.

关键词： Primary hyperparathyroidism Acute pancreatitis Pregnancy Diagnostic algorithm Parathyroid hormone Systematic review

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Critical review of biochar for the removal of emerging inorganic pollutants from wastewater

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Chinese Chemical Letters 2025年第2期36卷 127-135页

作者： Chong Liu Nanthi Bolan Anushka Upamali Rajapaksha Hailong Wang Paramasivan Balasubramanian Pengyan Zhang Xuan cuong nguyen Fayong Li College of Water Resources and Architectural Engineering Tarim University Department of Chemical & Materials Engineering University of Auckland UWA School of Agriculture and Environment The University of Western Australia The UWA Institute of Agriculture The University of Western Australia Ecosphere Resilience Research Center Faculty of Applied Sciences University of Sri Jayewardenepura Instrument Center Faculty of Applied Sciences University of Sri Jayewardenepura School of Environmental and Chemical Engineering Foshan University Guangdong Provincial Key Laboratory of Integrated Agro-Environmental Pollution Control and Management Institute of Eco-Environmental and Soil Sciences Guangdong Academy of Sciences Faculty of Environmental Chemical Engineering Duy Tan University Faculty of Environmental Chemical Engineering Duy Tan University

Current research primarily focuses on emerging organic pollutants, with limited attention to emerging inorganic pollutants (EIPs). However, due to advances in detection technology and the escalating environmental and health challenges posed by pollution, there is a growing interest in treating waters contaminated with EIPs. This paper explores biochar characteristics and modification methods, encompassing physical, chemical, and biological approaches for adsorbing EIPs. It offers a comprehensive review of research advancements in employing biochar for EIPs remediation in water, outlines the adsorption mechanisms of EIPs by biochar, and presents an environmental and economic analysis. It can be concluded that using biochar for the adsorption of EIPs in wastewater exhibits promising potential. Nonetheless, it is noteworthy that certain EIPs like Au(III), Rh(III), Ir(III), Ru(III), Os(III), Sc(III), and Y(III), have not been extensively investigated regarding their adsorption onto biochar. This comprehensive review will catalyze further inquiry into the biochar-based adsorption of EIPs, addressing current research deficiencies and advancing the practical implementation of biochar as a potent substrate for EIP removal from wastewater streams.

关键词： Adsorption Biochar Emerging contaminants Emerging inorganic pollutants Emerging pollutants Metal ions Removal

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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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