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

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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

Locally weighted learning based hybrid intelligence models for groundwater potential mapping and modeling: A case study at Gia Lai province, Vietnam

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Geoscience Frontiers 2021年第5期12卷 54-68页

作者： Hoang Phan hai Yen Binh thai Pham Tran Van Phong Duong hai ha Romulus Costache Hiep Van Le Huu Duy Nguyen Mahdis Amiri Nguyen Van Tao Indra Prakash Department of Geography School of Social Sciences EducationVinh University182 Le DuanVinhNghe AnVietnam University of Transport Technology Hanoi 100000Viet Nam Institute of Geological Sciences Vietnam Academy of Science and Technology(VAST)84 Chua LangDong DaHanoiViet Nam Institute for Water and Environment Hanoi 100000Viet Nam Research Institute of the University of Bucharest 90-92 Sos.Panduri5th DistrictBucharestRomania National Institute of Hydrology and Water Management București-Ploiești Road97E1st District013686 BucharestRomania Faculty of Geography VNU University of ScienceVietnam National University334 Nguyen TraiHanoi 100000Viet Nam Department of Watershed&Arid Zone Management Gorgan University of Agricultural Sciences&Natural ResourcesGorgan ***Iran DDG(R)Geological Survey of India Gandhinagar 382010India

The groundwater potential map is an important tool for a sustainable water management and land use planning,particularly for agricultural countries like *** this article,we proposed new machine learning ensemble techniques namely AdaBoost ensemble(ABLWL),Bagging ensemble(BLWL),Multi Boost ensemble(MBLWL),Rotation Forest ensemble(RFLWL)with Locally Weighted Learning(LWL)algorithm as a base classifier to build the groundwater potential map of Gia Lai province in *** this study,eleven conditioning factors(aspect,altitude,curvature,slope,Stream Transport Index(STI),Topographic Wetness Index(TWI),soil,geology,river density,rainfall,land-use)and 134 wells yield data was used to create training(70%)and testing(30%)datasets for the development and validation of the *** statistical indices were used namely Positive Predictive Value(PPV),Negative Predictive Value(NPV),Sensitivity(SST),Specificity(SPF),Accuracy(ACC),Kappa,and Receiver Operating Characteristics(ROC)curve to validate and compare performance of *** show that performance of all the models is good to very good(AUC:0.75 to 0.829)but the ABLWL model with AUC=0.89 is the *** the models applied in this study can support decision-makers to streamline the management of the groundwater and to develop economy not only of specific territories but also in other regions across the world with minor changes of the input parameters.

关键词： Locally weighted learning Hybrid models Groundwater potential GIS Vietnam

白花蛇舌草提取物通过AMPK/ATG5信号通路对急性胰腺炎大鼠肺损伤的保护作用机制研究

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中国免疫学杂志 2024年第2期40卷 348-354页

作者：哈宗兰马丽娜马琼甘桂芬青海大学附属医院重症医学科西宁810000 青海大学附属医院放射科西宁810000

目的:通过5’-单磷酸腺苷活化蛋白激酶(AMPK)/自噬相关蛋白5(ATG5)信号通路,探讨白花蛇舌草提取物减轻急性胰腺炎(AP)大鼠肺损伤的机制。方法:建立AP肺损伤大鼠模型,随机分为模型组、提取物(白花蛇舌草提取物)组、3-MA(自噬抑制剂3-甲... 详细信息

目的:通过5’-单磷酸腺苷活化蛋白激酶(AMPK)/自噬相关蛋白5(ATG5)信号通路,探讨白花蛇舌草提取物减轻急性胰腺炎(AP)大鼠肺损伤的机制。方法:建立AP肺损伤大鼠模型,随机分为模型组、提取物(白花蛇舌草提取物)组、3-MA(自噬抑制剂3-甲基腺嘌呤)组、AICAR(AMPK激活剂)组、提取物+AICAR组,每组15只,另取15只大鼠作为假手术组;ELISA检测血清淀粉酶(AMY)、IL-1β、IL-6、IL-18水平;检测大鼠腹水量及肺湿/干重比(W/D);HE观察胰腺及肺组织病理损伤;Western blot检测溶酶体相关膜蛋白2(LAMP2)、自噬底物p62、IL-1β前体蛋白(pro-IL-1β)、胰蛋白酶原活化肽(TAP)、AMPK、p-AMPK、ATG5、自噬标志物LC3-Ⅱ/Ⅰ、泛素特异性蛋白酶10(UPS10)表达。结果:与假手术组相比,模型组大鼠腹水量、肺W/D、胰腺和肺组织病理损伤评分、血清AMY、IL-1β、IL-6、IL-18水平、胰腺组织p62、TAP、pro-IL-1β表达、肺组织pAMPK/AMPK、ATG5、LC3-Ⅱ/Ⅰ、UPS10、pro-IL-1β表达均升高(P<0.05),胰腺和肺组织LAMP2蛋白表达降低(P<0.05);模型大鼠经白花蛇舌草提取物或自噬抑制剂3-MA干预后,上述指标均得到显著改善(P<0.05),且白花蛇舌草提取物的改善效果优于3-MA(P<0.05);而AMPK激活剂AICAR可削弱白花蛇舌草提取物对AP大鼠肺损伤的改善作用(P<0.05)。结论:白花蛇舌草提取物可通过抑制AMPK/ATG5信号通路减轻炎症反应、降低自噬水平改善AP大鼠肺损伤。

关键词：白花蛇舌草提取物胰腺炎肺损伤 5’-单磷酸腺苷活化蛋白激酶自噬相关蛋白5 炎症-自噬

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论新民主主义革命时期中国共产党开展意识形态宣传工作的动因、举措及影响

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攀登（哲学社会科学版） 2024年第2期43卷 42-51页

作者：哈战荣张莹中央财经大学马克思主义学院北京100081

意识形态关乎旗帜、关乎道路、关乎国家政治安全。因此,中国共产党向来都非常重视做好意识形态宣传工作。新民主主义革命时期,中国共产党就尽力克服各种困难,通过建设宣传阵地、创办党报党刊等方式,积极开展意识形态宣传工作,加强了党... 详细信息

意识形态关乎旗帜、关乎道路、关乎国家政治安全。因此,中国共产党向来都非常重视做好意识形态宣传工作。新民主主义革命时期,中国共产党就尽力克服各种困难,通过建设宣传阵地、创办党报党刊等方式,积极开展意识形态宣传工作,加强了党同人民群众的紧密联系,驳斥了国民党反动派的诋毁,筑牢了党员的理想信念根基,为新民主主义革命事业的胜利打下了坚实的群众基础。以史为镜,可以知兴替、明得失、受启发、观未来。本文通过对新民主主义革命时期中国共产党开展意识形态宣传工作的动因、举措及影响等方面的研究,以期为新时代我们如何有效开展意识形态宣传工作提供现实启示和经验借鉴。

关键词：新民主主义革命时期中国共产党意识形态宣传工作

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Prediction of Flash Flood Susceptibility of Hilly Terrain Using Deep Neural Network:A Case Study of Vietnam

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Computer Modeling in Engineering & Sciences 2023年第6期135卷 2219-2241页

作者： Huong Thi Thanh Ngo Nguyen Duc Dam Quynh-Anh Thi Bui Nadhir Al-Ansari Romulus Costache hang ha Quynh Duy Bui Sy Hung Mai Indra Prakash Binh thai Pham University of Transport Technology Hanoi100000Vietnam Department of Civil Environmental and Natural Resources EngineeringLulea University of TechnologyLulea97187Sweden Department of Civil Engineering Transilvania University of BrasovBrasov500152Romania Danube Delta National Institute for Research and Development Tulcea820112Romania Departement of Geodesy and Geomatics National University of Civil EngineeringHanoi100000Vietnam Faculty of Hydraulic Engineering National University of Civil EngineeringHanoi100000Vietnam DDG(R)Geological Survey of India Gandhinagar382010India

Flash floods are one of the most dangerous natural disasters,especially in hilly terrain,causing loss of life,property,and infrastructures and sudden disruption of *** types of floods are mostly associated with landslides and erosion of roads within a short *** of Vietnamis hilly and mountainous;thus,the problem due to flash flood is severe and requires systematic studies to correctly identify flood susceptible areas for proper landuse planning and traffic *** this study,three Machine Learning(ML)methods namely Deep Learning Neural Network(DL),Correlation-based FeatureWeighted Naive Bayes(CFWNB),and Adaboost(AB-CFWNB)were used for the development of flash flood susceptibility maps for hilly road section(115 km length)of National Highway(NH)-6 inHoa Binh province,*** the proposedmodels,88 past flash flood events were used together with 14 flash floods affecting topographical and geo-environmental *** performance of themodels was evaluated using standard statisticalmeasures including Receiver Operating Characteristic(ROC)Curve,Area Under Curve(AUC)and Root Mean Square Error(RMSE).The results revealed that all the models performed well(AUC>0.80)in predicting flash flood susceptibility zones,but the performance of the DL model is the best(AUC:0.972,RMSE:0.352).Therefore,the DL model can be applied to develop an accurate flash flood susceptibility map of hilly terrain which can be used for proper planning and designing of the highways and other infrastructure facilities besides landuse management of the area.

关键词： Flash flood deep learning neural network(DL) machine learning(ML) receiver operating characteristic curve(ROC) Vietnam

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改性纳米纤维素对铜离子的吸附

内蒙古石油化工 2024年第2期50卷 19-22页

作者：哈斯梁言呼和浩特民族学院化学与环境学院内蒙古呼和浩特010051

用内蒙古自治区武川县废弃的莜麦秸秆制备纳米改性莜麦秸秆纤维素,分别从吸附剂投加量,吸附时间和溶液pH值对其铜离子吸附性能进行对比研究,HCl-NTA-NOSC投加量在0.1g左右时,吸附率最高,可以达到30%至35%,最佳吸附时间为60分钟、在溶液p... 详细信息

用内蒙古自治区武川县废弃的莜麦秸秆制备纳米改性莜麦秸秆纤维素,分别从吸附剂投加量,吸附时间和溶液pH值对其铜离子吸附性能进行对比研究,HCl-NTA-NOSC投加量在0.1g左右时,吸附率最高,可以达到30%至35%,最佳吸附时间为60分钟、在溶液pH值5左右时吸附效果最好。

关键词：莜麦秸秆改性纤维素铜离子

基于TGF-β1/Smads信号通路探讨2-十二烷基-6-甲氧基-2,5-二烯-1,4-环己二酮抗肝纤维化的作用机制

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中国药理学通报 2024年第3期40卷 545-551页

作者：黄湘方坤凤范氏泰和梁杏梅黄仁彬李学政广西卫生职业技术学院广西南宁530023 广西平南县妇幼保健院广西平南537300 广西中医药大学附属国际壮医医院广西南宁530001 广西医科大学药学院广西南宁530021

目的探讨2-十二烷基-6-甲氧基-2,5-二烯-1,4-环己二酮(2-dodecyl-6-methoxycyclohexa-2,5-diene-1,4-dione,DMDD)对CCl_(4)致大鼠肝纤维化的影响及潜在作用机制。方法采用50%CCl_(4)复制肝纤维化模型,检测血液中门冬氨酸转移酶(aspartate transferase,AST)、丙氨酸转移酶(alanine transferase,ALT)、白蛋白/球蛋白(albumin/globulin,A/G)、总蛋白(total protein,TP)、总胆红素(total bilirubin,T-BIL)、大鼠透明质酸(hyaluronic acid,ha)、层黏连蛋白(laminin,LN)、Ⅲ型胶原(collagen typeⅢ,ColⅢ)和Ⅳ型胶原(collagen typeⅣ,ColⅣ)。HE和Masson染色观察肝脏组织病变和纤维形成情况。免疫组织化学法检测肝脏组织中α平滑肌肌动蛋白(αsmooth muscle actin,α-SMA)、Ⅰ型胶原(collagen typeⅠ,ColI)、转化生长因子β1(transformed growth factor-β1,TGF-β1)、Smad2、Smad7蛋白表达水平。RT-PCR法检测肝脏组织中α-SMA、ColI、TGF-β1、Smad7mRNA水平。Western blot法检测肝脏组织中TGF-β1、Smad4、Smad7蛋白表达水平。结果与正常对照组相比,模型组血清AST、ALT、TP、T-BIL、ha、LN、ColⅢ、ColⅣ水平明显升高,A/G水平明显降低,肝脏HE和Masson染色显示有大量纤维形成,说明造模成功。与模型组相比,DMDD给药组大鼠AST、ALT、TP、T-BIL、ha、LN、ColⅢ、ColⅣ含量和α-SMA、ColI、TGF-β1、Smad2、Smad4mRNA及蛋白水平显著下调,A/G、Smad7水平上调。肝脏HE和Masson染色结果显示纤维增生明显减少。结论DMDD对CCl_(4)诱导的肝纤维化具有保护作用,其机制可能与TGF-β1/Smads信号通路有关。

关键词： DMDD CCl_(4) 大鼠肝纤维化作用机制 TGF-β1/Smads信号通路

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土坡张拉缝滑面稳定性评价的若干基本问题

岩土工程学报 2024年第7期46卷 1418-1426页

作者：刘学军宋飞张鲁渝侯宪明哈月龙新疆建筑科学研究院(有限责任公司) 新疆乌鲁木齐830002 长安大学公路学院陕西西安710064 建筑工程项目勘察设计施工图审查中心安徽黄山245000

围绕张拉缝滑面稳定性评价中存在的若干基础性问题,通过上千个算例,系统分析了两种易混淆的“忽略”方法的可行性和适应性,以及它们在不同张拉缝深度,不同几何形状滑面、不同安全系数方法等条件下对滑面稳定性的影响,主要结论为:①张拉... 详细信息

围绕张拉缝滑面稳定性评价中存在的若干基础性问题,通过上千个算例,系统分析了两种易混淆的“忽略”方法的可行性和适应性,以及它们在不同张拉缝深度,不同几何形状滑面、不同安全系数方法等条件下对滑面稳定性的影响,主要结论为:①张拉缝未充水时,方法一仅对简化Janbu、简化Bishop法适用,而对通用条分法GLE、不平衡推力法不适用。张拉缝考虑水压力时,方法一不适用,方法二适用。②张拉缝滑面安全系数的变化趋势曲线,与张拉缝开裂前的条间力是拉力还是压力有关,这又与黏聚力、张拉缝深度、安全系数方法相关。如果黏聚力低,则条间力大概率是压力,如黏聚力高,则条间力大概率为拉力。③张拉缝有利于迭代收敛,对于严格法GLE而言,张拉缝促进收敛的效果更明显。本文成果为科学评估张拉缝滑面的稳定性提供了坚实的理论依据和分析方法。

关键词：张拉缝边坡安全系数稳定性深度线

Non-expansive Mappings and Iterative Methods in Uniformly Convex Banach Spaces

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Acta Mathematica Sinica,English Series 2004年第5期20卷 829-836页

作者： ha|YunZHOU Dept.ofMath. ShijiazhuangMechanicalEngineeringCollegeShijiazhuang050003P.R.China

In this article,we will investigate the properties of iterative sequence for non-expansive mappings and present several strong and weak convergence results of successive approximations to fixed points of non-expansive mappings in uniformly convex Banach *** results presented in this article generalize and improve various ones concerned with constructive techniques for the fixed points of non-expansive mappings.

关键词： Non-expansive mapping Mann and lshikawa iteration schemes Convergence theorem Uniformly convex Banach space