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Drug-Target Interactions Prediction Based on Signed Heterogeneous Graph Neural Networks

Chinese Journal of Electronics 2024年第1期33卷 231-244页

作者： ming chen Yajian jiang Xiujuan LEI Yi PAN Chunyan JI Wei jiang College of Information Science and Engineering Hunan Normal University School of Computer Science Shaanxi Normal University Faculty of Computer Science and Control Engineering Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences Computer Science Department BNU-HKBU United International College

Drug-target interactions(DTIs) prediction plays an important role in the process of drug *** computational methods treat it as a binary prediction problem, determining whether there are connections between drugs and targets while ignoring relational types information. Considering the positive or negative effects of DTIs will facilitate the study on comprehensive mechanisms of multiple drugs on a common target, in this work, we model DTIs on signed heterogeneous networks, through categorizing interaction patterns of DTIs and additionally extracting interactions within drug pairs and target protein pairs. We propose signed heterogeneous graph neural networks(SHGNNs), further put forward an end-to-end framework for signed DTIs prediction, called SHGNN-DTI,which not only adapts to signed bipartite networks, but also could naturally incorporate auxiliary information from drug-drug interactions(DDIs) and protein-protein interactions(PPIs). For the framework, we solve the message passing and aggregation problem on signed DTI networks, and consider different training modes on the whole networks consisting of DTIs, DDIs and PPIs. Experiments are conducted on two datasets extracted from Drug Bank and related databases, under different settings of initial inputs, embedding dimensions and training modes. The prediction results show excellent performance in terms of metric indicators, and the feasibility is further verified by the case study with two drugs on breast cancer.

关键词： Drugs Training Proteins Measurement Message passing Prediction methods Graph neural networks

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An improved initial rotor position estimation method using high-frequency pulsating voltage injection for PMSM

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Defence Technology（防务技术） 2024年第3期33卷 19-29页

作者： Yang jiang ming cheng School of Electrical Engineering Southeast UniversityNanjing 210096China

High frequency pulsating voltage injection method is a good candidate for detecting the initial rotor position of permanent magnet synchronous ***,traditional methods require a large number of filters,which leads to the deterioration of system stability and dynamic *** order to solve these problems,a new signal demodulation method is proposed in this *** proposed new method can directly obtain the amplitude of high-frequency current,thus eliminating the use of filters,improving system stability and dynamic performance and saving the work of adjusting filter *** addition,a new magnetic polarity detection method is proposed,which is robust to current measurement ***,experiments verify the effectiveness of the method.

关键词： Initial position detection Signal demodulation algorithm Magnetic polarity detection Filter elimination

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Thermal stability of permafrost under U-shaped crushed rock embankment of the Qinghai-Tibet Railway

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Advances in Climate Change Research 2024年第1期15卷 158-169页

作者： Kun-ming XU Guan-Li jiang Ji chen Qing-Bai WU State Key Laboratory of Frozen Soil Engineering Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China University of Chinese Academy of Sciences Beijing 100049China Beiluhe Observation Station of Frozen Soil Environment and Engineering Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou730000China

The U-shaped crushed rock embankment(UCRE),of which widely utilized in the permafrost regions along the Qinghai-Tibet Railway,has the capability to rapidly reduce the ground temperature of the underlying ***,there remains uncertainty regarding the adaptation of UCRE to climate change and its long-term cooling *** study focuses on nine UCRE monitoring sites along the Qinghai-Tibet Railway to analyze the dynamic variations of the ground temperature underlying permafrost from 2006 to *** efficiency of UCRE in stabilizing permafrost temperature in different permafrost zones is evaluated by considering the permafrost table,ground temperature,and MAGT,as well as the temperature difference between the top and bottom of the crushed rock layer and the ground temperature variation index(GTVI).The results show that UCRE is suitable for application in extremely unstable warm permafrost regions where the MAGT is higher than-0.5℃.Moreover,UCRE effectively diminishes the disparity in permafrost thermal stability between the sunny and shaded shoulders of the *** short-term and long-term effect of cooling permafrost is experiencing a change related with permafrost ***,in stable cold permafrost regions with MAGT lower than-1.5℃,the long-term cooling effect of UCRE on permafrost seems to gradually di-minishes,but UCRE continues to fulfill the role of stabilizing the underlying permafrost thermal state over the *** results show that UCRE can quickly restore and stabilize the thermal state of permafrost in the early stages of construction,and adapt to the influence of future climate *** findings provide important guidance for understanding the variations of permafrost thermal stability beneath the embankment in permafrost regions,as well as for improving the embankment stability and operational safety of the Qinghai-Tibet Railway.

关键词： Qinghai-Tibet Railway U-shaped crushed rock embankment Climate change Permafrost zone Ground temperature variation index Long-term coolingrole

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Clinical online nomogram for predicting prognosis in recurrent hepatolithiasis after biliary surgery:A multicenter,retrospective study

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World Journal of Gastroenterology 2022年第7期28卷 715-731页

作者： Tian Pu jiang-ming chen Zi-Han Li Dong jiang Qi Guo Ang-Qing Li ming Cai Zi-Xiang chen Kun Xie Yi-Jun Zhao cheng Wang Hui Hou Zheng Lu Xiao-Ping Geng Fu-Bao Liu Department of General Surgery The First Affiliated Hospital of Anhui Medical UniversityHefei 230022Anhui ProvinceChina Department of General Surgery The First Affiliated Hospital of the University of Science and Technology of ChinaHefei 230001Anhui ProvinceChina Department of General Surgery The Second Affiliated Hospital of Anhui Medical UniversityHefei 230022Anhui ProvinceChina Department of General Surgery The First Affiliated Hospital of Bengbu Medical CollegeBengbu 233030Anhui ProvinceChina

BACKGROUND Methods for predicting the prognosis of patients undergoing surgery for recurrent hepatolithiasis after biliary surgery are currently *** To establish a nomogram to predict the prognosis of patients with recurrent hepatolithiasis after biliary *** In this multicenter,retrospective study,data of consecutive patients in four large medical centers who underwent surgery for recurrent hepatolithiasis after biliary surgery were retrospectively *** constructed a nomogram to predict the prognosis of recurrent hepatolithiasis in a training cohort of 299 patients,following which we independently tested the nomogram in an external validation cohort of 142 ***,we used the concordance index(C-index),calibration,area under curve,decision curve analysis,clinical impact curves,and visual fit indices to evaluate the accuracy of the *** Multiple previous surgeries[2 surgeries:Odds ratio(95%confidence interval),1.451(0.719-2.932);3 surgeries:4.573(2.015-10.378);≥4 surgeries:5.741(1.347-24.470)],bilateral hepatolithiasis[1.965(1.039-3.717)],absence of immediate clearance[2.398(1.304-4.409)],neutrophil-to-lymphocyte ratio≥2.462[1.915(1.099-3.337)],and albumin-to-globulin ratio≤1.5[1.949(1.056-3.595)]were found to be independent factors influencing the *** nomogram constructed on the basis of these variables showed good reliability in the training(C-index:0.748)and validation(C-index:0.743)*** with predictions using traditional classification models,those using our nomogram showed better agreement with actual observations in the calibration curve for the probability of endpoints and the receiver operating characteristic *** and clinical impact curves showed a larger net benefit of the *** The nomogram developed in this study demonstrated superior performance and discriminative power compared to the three traditional *** is easy to use,highly accurate,an

关键词： Gallstones Reoperation Risk factors Nomogram Prognosis Model

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Mechanical Modeling and Analysis of Stability Deterioration of Production Well During Marine Hydrate Depressurization Production

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China Ocean Engineering 2024年第2期38卷 338-351页

作者： SUN Huan-zhao CHANG Yuan-jiang SUN Bao-jiang WANG Kang chen Guo-ming LI Hao DAI Yong-guo Centre for Offshore Engineering and Safety Technology China University of Petroleum(East China)Qingdao 266580China School of Petroleum Engineering China University of Petroleum(East China)Qingdao 266580China jiangsu Shuguang Oil Tools Co. LtdTaizhou 225532China

Different from oil and gas production,hydrate reservoirs are shallow and unconsolidated,whose mechanical properties deteriorate with hydrate ***,the formations will undergo significant subsidence during depressurization,which will destroy the original force state of the production ***,existing research on the stability of oil and gas production wells assumes the formation to be stable,and lacks consideration of the force exerted on the hydrate production well by formation subsidence caused by hydrate decomposition during *** fill this gap,this paper proposes an analytical method for the dynamic evolution of the stability of hydrate production well considering the effects of hydrate *** on the mechanical model of the production well,the basis for stability analysis has been proposed.A multi-field coupling model of the force state of the production well considering the effect of hydrate decomposition and formation subsidence is established,and a solver is *** analytical approach is verified by its good agreement with the results from the numerical method.A case study found that the decomposition of hydrate will increase the pulling-down force and reduce the supporting force,which is the main reason for the stability *** higher the initial hydrate saturation,the larger the reservoir thickness,and the lower the production pressure,the worse the stability or even *** work can provide a theoretical reference for the stability maintaining of the production well.

关键词： natural gas hydrate production well depressurization production formation deformation stability deterioration

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On the Strong Approximation for a Simple Reentrant Line in Light Traffic Under First-buffer First-served Service Discipline

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Acta Mathematicae Applicatae Sinica 2024年第3期40卷 823-839页

作者： Kai-ming YANG Yong-jiang GUO School of Science Beijing University of Posts and TelecommunicationsBeijing 100876China

For a 2-station and 3-class reentrant line under first-buffer first-served(FBFS)service discipline in light traffic,we firstly construct the strong approximations for performance measures including the queue length,workload,busy time and idle time *** on the obtained strong approximations,we use a strong approximation method to find all the law of the iterated logarithms(LILs)for the above four performance measures,which are expressed as some functions of system parameters:means and variances of interarrival and service times,and characterize the fluctuations around their fluid approximations.

关键词： reentrant line queueing network FBFS service discipline strong approximation LIL Brownian motion

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Online calculator for predicting the risk of malignancy in patients with pancreatic cystic neoplasms: A multicenter, retrospective study

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World Journal of Gastroenterology 2022年第37期28卷 5469-5482页

作者： Dong jiang Zi-Xiang chen Fu-Xiao Ma Yu-Yong Gong Tian Pu jiang-ming chen Xue-Qian Liu Yi-Jun Zhao Kun Xie Hui Hou cheng Wang Xiao-Ping Geng Fu-Bao Liu Department of General Surgery The First Affiliated Hospital of Anhui Medical UniversityHefei 230000Anhui ProvinceChina Department of General Surgery The Second Affiliated Hospital of Anhui Medical UniversityHefei 230000Anhui ProvinceChina Department of General Surgery The First Affiliated Hospital of University of Science and Technology of ChinaHefei 230000Anhui ProvinceChina

BACKGROUND Efficient and practical methods for predicting the risk of malignancy in patients with pancreatic cystic neoplasms(PCNs)are *** To establish a nomogram-based online calculator for predicting the risk of malignancy in patients with *** In this study,the clinicopathological data of target patients in three medical centers were *** independent sample t-test,Mann–Whitney U test or chi-squared test were used as appropriate for statistical *** univariable and multivariable logistic regression analysis,five independent factors were screened and incorporated to develop a calculator for predicting the risk of ***,the concordance index(C-index),calibration,area under the curve,decision curve analysis and clinical impact curves were used to evaluate the performance of the *** Enhanced mural nodules[odds ratio(OR):4.314;95%confidence interval(CI):1.618–11.503,P=0.003],tumor diameter≥40 mm(OR:3.514;95%CI:1.138–10.849,P=0.029),main pancreatic duct dilatation(OR:3.267;95%CI:1.230–8.678,P=0.018),preoperative neutrophil-to-lymphocyte ratio≥2.288(OR:2.702;95%CI:1.008–7.244,P=0.048],and preoperative serum CA19-9 concentration≥34 U/mL(OR:3.267;95%CI:1.274–13.007,P=0.018)were independent risk factors for a high risk of malignancy in patients with *** the training cohort,the nomogram achieved a C-index of 0.824 for predicting the risk of *** predictive ability of the model was then validated in an external cohort(C-index:0.893).Compared with the risk factors identified in the relevant guidelines,the current model showed better predictive performance and clinical *** The calculator demonstrates optimal predictive performance for identifying the risk of malignancy,potentially yielding a personalized method for patient selection and decision-making in clinical practice.

关键词： Pancreatic cystic neoplasms Risk of malignancy Nomogram Model Prediction Calculator

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Dynamic Analysis of A Deepwater Drilling Riser with A New Hang-off System

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China Ocean Engineering 2024年第1期38卷 29-41页

作者： LI Yan-wei LIU Xiu-quan WANG Jin-long chen Guo-ming CHANG Yuan-jiang SHENG Lei-xiang Centre for Offshore Engineering and Safety Technology China University of PetroleumQingdao 266580China National Engineering Laboratory of Offshore Geophysical and Exploration Equipment China University of PetroleumQingdao 266580China China CNOOC Research Institute Co. Ltd.Beijing 100028China

The safety of risers in hang-off states is a vital challenge in offshore oil and gas engineering.A new hang-off system installed on top of risers is proposed for improving the security of *** approach leads to a challenging problem:coupling the dynamics of risers with a new hang-off system combined with multiple structures and complex *** accurately analyze the dynamic responses of the coupled system,a coupled dynamic model is established based on the Euler-Bernoulli beam-column theory and penalty function method.A comprehensive analysis method is proposed for coupled dynamic analysis by combining the finite element method and the Newmarkβ*** analysis program is also developed in MATLAB for dynamic *** simulation results show that the dynamic performances of the risers at the top part are significantly improved by the new hang-off system,especially the novel design,which includes the centralizer and articulation *** bending moment and lateral deformation of the risers at the top part decrease,while the hang-off joint experiences a great bending moment at the bottom of the lateral restraint area which requires particular attention in design and *** platform navigation speed range under the safety limits of risers expands with the new hang-off system in use.

关键词： deepwater drilling riser new hang-off system dynamic analysis finite element method penalty function method

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Universal and efficient hybrid modeling and direct slicing method for additive manufacturing processes

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Advances in Manufacturing 2024年第2期12卷 300-316页

作者： Sen-Lin Wang Li-Chao Zhang Chao Cai ming-Kai Tang Si chen jiang Huang Yu-Sheng Shi State Key Laboratory of Materials Processing and Die and Mould Technology Huazhong University of Science and TechnologyWuhan430074People’s Republic of China School of Machinery and Automation Wuhan University of Science and TechnologyWuhan430081People’s Republic of China

Model design and slicing contour generation in additive manufacturing(AM)data processing face challenges in terms of efficiency and scalability when stereolithography files generated by complex functionally graded structures have millions of *** paper proposes a hybrid modeling and direct slicing method for AM to efficiently construct and handle complex three-dimensional(3D)*** 3D solids,including conformal multigradient structures,were uniformly described using a small amount of data via signed distance *** hybrid representations were quickly discretized into numerous disordered directed lines using an improved marching squares *** establishing a directional HashMap to construct the topological relationship between lines,a connecting algorithm with linear time complexity is proposed to generate slicing contours for *** method replaces the mesh reconstruction and Boolean operation stages and can efficiently construct complex conformal gradient models of arbitrary topologies through hybrid ***,the time and memory consumption of direct slicing are much lower than those of previous methods when handling hybrid models with hundreds of millions of faces after mesh reconstruction.

关键词： Additive manufacturing(AM) Hybrid modeling Direct slicing Signed distance field

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Assessment of Wet Season Precipitation in the Central United States by the Regional Climate Simulation of the WRFG Member in NARCCAP and Its Relationship with Large-Scale Circulation Biases

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Advances in Atmospheric Sciences 2024年第4期41卷 619-638页

作者： Yating ZHAO ming XUE Jing jiang Xiao-ming HU Anning HUANG School of Atmospheric Sciences Nanjing UniversityNanjing 210023China Center for Analysis and Prediction of Storms and School of Meteorology The University of OklahomaNorman 73072U.S.A

Assessment of past-climate simulations of regional climate models(RCMs)is important for understanding the reliability of RCMs when used to project future regional ***,we assess the performance and discuss possible causes of biases in a WRF-based RCM with a grid spacing of 50 km,named WRFG,from the North American Regional Climate Change Assessment Program(NARCCAP)in simulating wet season precipitation over the Central United States for a period when observational data are *** RCM reproduces key features of the precipitation distribution characteristics during late spring to early summer,although it tends to underestimate the magnitude of *** dry bias is partially due to the model’s lack of skill in simulating nocturnal precipitation related to the lack of eastward propagating convective systems in the *** in reproducing large-scale circulation and environmental conditions is another contributing *** too weak simulated pressure gradient between the Rocky Mountains and the Gulf of Mexico results in weaker southerly winds in between,leading to a reduction of warm moist air transport from the Gulf to the Central Great *** simulated low-level horizontal convergence fields are less favorable for upward motion than in the NARR and hence,for the development of moist convection as ***,a careful examination of an RCM’s deficiencies and the identification of the source of errors are important when using the RCM to project precipitation changes in future climate scenarios.

关键词： NARCCAP Central United States precipitation low-level jet large-scale environment diurnal variation

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