Accurately predicting the State of Health(SOH)of lithium-ion batteries is a critical challenge to ensure their reliability and safety in energy storage systems,such as electric vehicles and renewable energy grids.The ...Accurately predicting the State of Health(SOH)of lithium-ion batteries is a critical challenge to ensure their reliability and safety in energy storage systems,such as electric vehicles and renewable energy grids.The intricate battery degradation process is influenced by evolving spatial and temporal interactions among health indicators.Existing methods often fail to capture the dynamic interactions between health indicators over time,resulting in limited predictive accuracy.To address these challenges,we propose a novel framework,Dynamic Graph Learning with Spatial-Temporal Fusion Attention(DGL-STFA),which transforms health indicator series time-data into time-evolving graph representations.The framework employs multi-scale convolutional neural networks to capture diverse temporal patterns,a self-attention mechanism to construct dynamic adjacency matrices that adapt over time,and a temporal attention mechanism to identify and prioritize key moments that influence battery degradation.This combination enables DGL-STFA to effectively model both dynamic spatial relationships and long-term temporal dependencies,enhancing SOH prediction accuracy.Extensive experiments were conducted on the NASA and CALCE battery datasets,comparing this framework with traditional time-series prediction methods and other graph-based prediction methods.The results demonstrate that our framework significantly improves prediction accuracy,with a mean absolute error more than 30%lower than other methods.Further analysis demonstrated the robustness of DGL-STFA across various battery life stages,including early,mid,and end-of-life phases.These results highlight the capability of DGL-STFA to accurately predict SOH,addressing critical challenges in advancing battery health monitoring for energy storage applications.展开更多
Smart grid substation operations often take place in hazardous environments and pose significant threats to the safety of power personnel.Relying solely on manual supervision can lead to inadequate oversight.In respon...Smart grid substation operations often take place in hazardous environments and pose significant threats to the safety of power personnel.Relying solely on manual supervision can lead to inadequate oversight.In response to the demand for technology to identify improper operations in substation work scenarios,this paper proposes a substation safety action recognition technology to avoid the misoperation and enhance the safety management.In general,this paper utilizes a dual-branch transformer network to extract spatial and temporal information from the video dataset of operational behaviors in complex substation environments.Firstly,in order to capture the spatial-temporal correlation of people's behaviors in smart grid substation,we devise a sparse attention module and a segmented linear attention module that are embedded into spatial branch transformer and temporal branch transformer respectively.To avoid the redundancy of spatial and temporal information,we fuse the temporal and spatial features using a tensor decomposition fusion module by a decoupled manner.Experimental results indicate that our proposed method accurately detects improper operational behaviors in substation work scenarios,outperforming other existing methods in terms of detection and recognition accuracy.展开更多
As a significant city in the Yangtze River Delta regions,Hefei has experienced rapid changes in the sources of air pollution due to its high-speed economic development and urban expansion.However,there has been limite...As a significant city in the Yangtze River Delta regions,Hefei has experienced rapid changes in the sources of air pollution due to its high-speed economic development and urban expansion.However,there has been limited research in recent years on the spatial-temporal distribution and emission of its atmospheric pollutants.To address this,this study conducted mobile observations of urban roads using the Mobile-DOAS instrument from June 2021 to May 2022.The monitoring results exhibit a favourable consistent with TROPOMI satellite data and ground monitoring station data.Temporally,there were pronounced seasonal variations in air pollutants.Spatially,high concentration of HCHO and NO_(2)were closely associated with traffic congestion on roadways,while heightened SO_(2)levels were attributed to winter heating and industrial emissions.The study also revealed that with the implementation of road policies,the average vehicle speed increased by 95.4%,while the NO concentration decreased by 54.4%.In the estimation of urban NO_(x)emission flux,it was observed that in temporal terms,compared with inventory data,the emissions calculated viamobile measurements exhibitedmore distinct seasonal patterns,with the highest emission rate of 349 g/sec in winter and the lowest of 142 g/sec in summer.In spatial terms,the significant difference in emissions between the inner and outer ring roads also suggests the presence of the city’s primary NO_(x)emission sources in the area between these two rings.This study offers data support for formulating the next phase of air pollution control measures in urban areas.展开更多
In the current situation of decelerating economic expansion,examining the digital economy(DE)as a novel economic model is beneficial for the local economy’s sustainable and high-quality development(HQD).We analyzed p...In the current situation of decelerating economic expansion,examining the digital economy(DE)as a novel economic model is beneficial for the local economy’s sustainable and high-quality development(HQD).We analyzed panel data from the Yellow River(YR)region from 2013 to 2021 and discovered notable spatial variances in the composite index and coupling coordination of the two systems.Specifically,the downstream region exhibited the highest coupling coordination,while the upstream region had the lowest.We identified that favorable factors such as economic development,innovation,industrial upgrading,and government intervention can bolster the coupling.Our findings provide a valuable framework for promoting DE and HQD in the YR region.展开更多
Accurate traffic flow prediction has a profound impact on modern traffic management. Traffic flow has complex spatial-temporal correlations and periodicity, which poses difficulties for precise prediction. To address ...Accurate traffic flow prediction has a profound impact on modern traffic management. Traffic flow has complex spatial-temporal correlations and periodicity, which poses difficulties for precise prediction. To address this problem, a Multi-head Self-attention and Spatial-Temporal Graph Convolutional Network (MSSTGCN) for multiscale traffic flow prediction is proposed. Firstly, to capture the hidden traffic periodicity of traffic flow, traffic flow is divided into three kinds of periods, including hourly, daily, and weekly data. Secondly, a graph attention residual layer is constructed to learn the global spatial features across regions. Local spatial-temporal dependence is captured by using a T-GCN module. Thirdly, a transformer layer is introduced to learn the long-term dependence in time. A position embedding mechanism is introduced to label position information for all traffic sequences. Thus, this multi-head self-attention mechanism can recognize the sequence order and allocate weights for different time nodes. Experimental results on four real-world datasets show that the MSSTGCN performs better than the baseline methods and can be successfully adapted to traffic prediction tasks.展开更多
Spatial-temporal traffic prediction technology is crucial for network planning,resource allocation optimizing,and user experience improving.With the development of virtual network operators,multi-operator collaboratio...Spatial-temporal traffic prediction technology is crucial for network planning,resource allocation optimizing,and user experience improving.With the development of virtual network operators,multi-operator collaborations,and edge computing,spatial-temporal traffic data has taken on a distributed nature.Consequently,noncentralized spatial-temporal traffic prediction solutions have emerged as a recent research focus.Currently,the majority of research typically adopts federated learning methods to train traffic prediction models distributed on each base station.This method reduces additional burden on communication systems.However,this method has a drawback:it cannot handle irregular traffic data.Due to unstable wireless network environments,device failures,insufficient storage resources,etc.,data missing inevitably occurs during the process of collecting traffic data.This results in the irregular nature of distributed traffic data.Yet,commonly used traffic prediction models such as Recurrent Neural Networks(RNN)and Long Short-Term Memory(LSTM)typically assume that the data is complete and regular.To address the challenge of handling irregular traffic data,this paper transforms irregular traffic prediction into problems of estimating latent variables and generating future traffic.To solve the aforementioned problems,this paper introduces split learning to design a structured distributed learning framework.The framework comprises a Global-level Spatial structure mining Model(GSM)and several Nodelevel Generative Models(NGMs).NGM and GSM represent Seq2Seq models deployed on the base station and graph neural network models deployed on the cloud or central controller.Firstly,the time embedding layer in NGM establishes the mapping relationship between irregular traffic data and regular latent temporal feature variables.Secondly,GSM collects statistical feature parameters of latent temporal feature variables from various nodes and executes graph embedding for spatial-temporal traffic data.Finally,NGM generates future traffic based on latent temporal and spatial feature variables.The introduction of the time attention mechanism enhances the framework’s capability to handle irregular traffic data.Graph attention network introduces spatially correlated base station traffic feature information into local traffic prediction,which compensates for missing information in local irregular traffic data.The proposed framework effectively addresses the distributed prediction issues of irregular traffic data.By testing on real world datasets,the proposed framework improves traffic prediction accuracy by 35%compared to other commonly used distributed traffic prediction methods.展开更多
This paper investigates the spatial-temporal cooperative guidance problem for multiple flight vehicles without relying on time-to-go information.First,a two-stage cooperative guidance strategy,namely the cooperative g...This paper investigates the spatial-temporal cooperative guidance problem for multiple flight vehicles without relying on time-to-go information.First,a two-stage cooperative guidance strategy,namely the cooperative guidance and the Proportional Navigation Guidance(PNG)stage strategy,is developed to realize the spatial-temporal constraints in two dimensions.At the former stage,two controllers are designed and superimposed to satisfy both impact time consensus and impact angle constraints.Once the convergent conditions are satisfied,the flight vehicles will switch to the PNG stage to ensure zero miss distance.To further extend the results to three dimensions,a planar pursuit guidance stage is additionally imposed at the beginning of guidance.Due to the inde-pendence of time-to-go estimation,the proposed guidance strategy possesses great performance in satisfying complex spatial-temporal constraints even under flight speed variation.Finally,several numerical simulations are implemented to verify the effectiveness and advantages of the proposed results under different scenarios.展开更多
Forest fires pose a significant threat to human life and property,so the utilization of unmanned aircraft systems provides new ways for forest firefighting.Given the constrained load capacities of these aircraft,aeria...Forest fires pose a significant threat to human life and property,so the utilization of unmanned aircraft systems provides new ways for forest firefighting.Given the constrained load capacities of these aircraft,aerial refueling becomes crucial to extend their operational time and range.In order to address the complexities of firefighting missions involving multi-receiver and multi-tanker deployed from various airports,first,a fuel consumption calculation model for aerial refueling scheduling is established based on the receiver path.Then,two distinct methods,including an integrated one and a decomposed one,are designed to address the challenges of establishing refueling airspace and allocating tasks for tankers.Both methods aim to optimize total fuel consumption of the receivers and tankers within the aerial refueling scheduling framework.The optimization problem is established as nonlinear optimization models along with restrictions.The integrated method seamlessly combines refueling rendezvous point scheduling and tanker task allocation into unified process.It has a complete solution space and excels in optimizing total fuel consumption.The decomposed method,through the separation of rendezvous point scheduling and task allocation,achieves a reduced computational complexity.However,this comes at the cost of sacrificing optimality by excluding specific feasible solutions.Finally,numerical simulations are carried out to verify the feasibility and effectiveness of the proposed methods.These simulations yield insights crucial for the practical engineering application of both the integrated and decomposed methods in real-world scenarios.This comprehensive approach aims to enhance the efficiency of forest firefighting operations,mitigating the risks posed by forest fires to human life and property.展开更多
In the Industrial Internet of Things(IIoT),sensors generate time series data to reflect the working state.When the systems are attacked,timely identification of outliers in time series is critical to ensure security.A...In the Industrial Internet of Things(IIoT),sensors generate time series data to reflect the working state.When the systems are attacked,timely identification of outliers in time series is critical to ensure security.Although many anomaly detection methods have been proposed,the temporal correlation of the time series over the same sensor and the state(spatial)correlation between different sensors are rarely considered simultaneously in these methods.Owing to the superior capability of Transformer in learning time series features.This paper proposes a time series anomaly detection method based on a spatial-temporal network and an improved Transformer.Additionally,the methods based on graph neural networks typically include a graph structure learning module and an anomaly detection module,which are interdependent.However,in the initial phase of training,since neither of the modules has reached an optimal state,their performance may influence each other.This scenario makes the end-to-end training approach hard to effectively direct the learning trajectory of each module.This interdependence between the modules,coupled with the initial instability,may cause the model to find it hard to find the optimal solution during the training process,resulting in unsatisfactory results.We introduce an adaptive graph structure learning method to obtain the optimal model parameters and graph structure.Experiments on two publicly available datasets demonstrate that the proposed method attains higher anomaly detection results than other methods.展开更多
The spatial and temporal variation of green economic efficiency and its driving factors are of great significance for the construction of high-efficiency and low-consumption green development model and sustainable soc...The spatial and temporal variation of green economic efficiency and its driving factors are of great significance for the construction of high-efficiency and low-consumption green development model and sustainable socio-economic development.The research focused on the Yangtze River Economic Belt(YREB)and employed the miniumum distance to strong efficient frontier DEA(MinDs)model to measure the green economic efficiency of the municipalities in the region between 2008 and 2020.Then,the spatial autocorrelation model was used to analyze the evolution characteristics of its spatial pattern.Finally,Geodetector was applied to reveal the drivers and their interactions on green economic efficiency.It is found that:1)the overall green economic efficiency of the YREB from 2008 to 2020 shows a W-shaped fluctuating upward trend,green economic efficiency is greater in the downstream and smallest in the upstream;2)the spatial distribution of green economic efficiency shows clustering characteristics,with multi-core clustering based on‘city clusters-central cities'becoming more obvious over time;the High-High agglomeration type is mainly clustered in Jiangsu and Zheji-ang,while the Low-Low agglomeration type is clustered in the western Sichuan Plateau area and southwestern Yunnan;3)from input-output factors,whether it is the YREB as a whole or the upper,middle and lower reaches regions,the economic development level,labor input,and capital investment are the leading factors in the spatial-temporal evolution of green economic efficiency,with the com-prehensive influence of economic development level and pollution index being the most important interactive driving factor;4)from so-cio-economic factors,information technology drivers such as government intervention,transportation accessibility,information infra-structure,and Internet penetration are always high impact influencers and dominant interaction factors for green economic efficiency in the YREB and the three major regions in the upper,middle and lower reaches.Accordingly,the article puts forward relevant policy re-commendations in terms of formulating differentiated green transformation strategies,strengthening network leadership and informa-tion technology construction and coordinating multi-factor integrated development,which could provide useful reference for promoting synergistic green economic efficiency in the YREB.展开更多
To clarify the connotations and extensions of urban resilience,this study focuses on the Chengdu-Chongqing Economic Circle with 16 cities as research subjects.A comprehensive evaluation index system was constructed to...To clarify the connotations and extensions of urban resilience,this study focuses on the Chengdu-Chongqing Economic Circle with 16 cities as research subjects.A comprehensive evaluation index system was constructed to measure the resilience of each city from 2003 to 2020.The spatial-temporal evolution characteristics were analyzed using Kernel density estimation,standard deviation ellipse,and spatial Markov chain analysis,and the spatial Tobit model was introduced to discover the influencing factors.The results indicate the following:①Urban resilience in the Chengdu-Chongqing Economic Circle displays an upward trend,with the center of gravity moving to the southwest,and the polarization phenomenon intensifying.②The urban resilience level in a region has certain spatial and geographical dependence,while the probability of urban resilience transfer differs in adjacent cities with different resilience levels.③Urban centrality,economic scale,openness level,and financial development promote urban resilience,whereas government scale significantly inhibits it.Finally,this paper proposes countermeasures and suggestions to improve the urban resilience of the Chengdu-Chongqing Economic Circle.展开更多
The prediction for Multivariate Time Series(MTS)explores the interrelationships among variables at historical moments,extracts their relevant characteristics,and is widely used in finance,weather,complex industries an...The prediction for Multivariate Time Series(MTS)explores the interrelationships among variables at historical moments,extracts their relevant characteristics,and is widely used in finance,weather,complex industries and other fields.Furthermore,it is important to construct a digital twin system.However,existing methods do not take full advantage of the potential properties of variables,which results in poor predicted accuracy.In this paper,we propose the Adaptive Fused Spatial-Temporal Graph Convolutional Network(AFSTGCN).First,to address the problem of the unknown spatial-temporal structure,we construct the Adaptive Fused Spatial-Temporal Graph(AFSTG)layer.Specifically,we fuse the spatial-temporal graph based on the interrelationship of spatial graphs.Simultaneously,we construct the adaptive adjacency matrix of the spatial-temporal graph using node embedding methods.Subsequently,to overcome the insufficient extraction of disordered correlation features,we construct the Adaptive Fused Spatial-Temporal Graph Convolutional(AFSTGC)module.The module forces the reordering of disordered temporal,spatial and spatial-temporal dependencies into rule-like data.AFSTGCN dynamically and synchronously acquires potential temporal,spatial and spatial-temporal correlations,thereby fully extracting rich hierarchical feature information to enhance the predicted accuracy.Experiments on different types of MTS datasets demonstrate that the model achieves state-of-the-art single-step and multi-step performance compared with eight other deep learning models.展开更多
Highly evolved granite is an important sign of the mature continent crust and closely associated with deposits of rare metals.In this work,the authors undertake systematically zircon U-Pb ages and whole rock elemental...Highly evolved granite is an important sign of the mature continent crust and closely associated with deposits of rare metals.In this work,the authors undertake systematically zircon U-Pb ages and whole rock elemental data for highly evolved granitic intrusions from the Great Xing’an Range(GXR),NE China,to elucidate their discriminant criteria,spatial-temporal distribution,differentiation and geodynamic mecha-nism.Geochemical data of these highly evolved granites suggest that high w(SiO_(2))(>70%)and differentiation index(DI>88)could be quantified indicators,while strong Eu depletion,high TE_(1,3),lowΣREE and low Zr/Hf,Nb/Ta,K/Rb could only be qualitative indicators.Zircon U-Pb ages suggest that the highly evolved gran-ites in the GXR were mainly formed in Late Mesozoic,which can be divided into two major stages:Late Ju-rassic-early Early Cretaceous(162-136 Ma,peak at 138 Ma),and late Early Cretaceous(136-106 Ma,peak at 126 Ma).The highly evolved granites are mainly distributed in the central-southern GXR,and display a weakly trend of getting younger from northwest to southeast,meanwhile indicating the metallogenic potential of rare metals within the central GXR.The spatial-temporal distribution,combined with regional geological data,indicates the highly evolved Mesozoic granites in the GXR were emplaced in an extensional environ-ment,of which the Late Jurassic-early Early Cretaceous extension was related to the closure of the Mongol-Okhotsk Ocean and roll-back of the Paleo-Pacific Plate,while the late Early Cretaceous extension was mainly related to the roll-back of the Paleo-Pacific Plate.展开更多
Considering the nonlinear structure and spatial-temporal correlation of traffic network,and the influence of potential correlation between nodes of traffic network on the spatial features,this paper proposes a traffic...Considering the nonlinear structure and spatial-temporal correlation of traffic network,and the influence of potential correlation between nodes of traffic network on the spatial features,this paper proposes a traffic speed prediction model based on the combination of graph attention network with self-adaptive adjacency matrix(SAdpGAT)and bidirectional gated recurrent unit(BiGRU).First-ly,the model introduces graph attention network(GAT)to extract the spatial features of real road network and potential road network respectively in spatial dimension.Secondly,the spatial features are input into BiGRU to extract the time series features.Finally,the prediction results of the real road network and the potential road network are connected to generate the final prediction results of the model.The experimental results show that the prediction accuracy of the proposed model is im-proved obviously on METR-LA and PEMS-BAY datasets,which proves the advantages of the pro-posed spatial-temporal model in traffic speed prediction.展开更多
As an important river in the western part of Jilin Province,the lower reach of the Nenjiang River is an important wetland water source conservation area in Jilin Province.Within the watershed,it governs the Momoge Wet...As an important river in the western part of Jilin Province,the lower reach of the Nenjiang River is an important wetland water source conservation area in Jilin Province.Within the watershed,it governs the Momoge Wetland,the Xianghai Wetland,and the Danjiang Wetland in Jilin Province.The main problem in the lower reaches of the Nenjiang River is the uneven distribution of water resources in time and space,and the intensification of land salinization.Zhenlai County and Da an City in the Nenjiang River Basin have sufficient surface water resources,with surface water as the drinking water source.Baicheng City and Tongyu County have scarce surface water resources,and both use groundwater as their domestic water source.The main polluted section in the basin is the Xianghai Reservoir,and the annual water quality evaluation is Class V.However,the water quality of the Tao er River,the main stream of the Nenjiang River,is significantly better than that of the Xianghai Reservoir.In order to better study the water environmental pollution situation in the Nenjiang River basin,monitoring data from five sections of non seasonal rivers in the basin from 2012 to 2021 were selected for studying water quality.This in-depth exploration of the water pollution status and river water quality change trends in the Nenjiang River basin is of great significance for future rural development,agricultural pattern transformation,and the promotion of water ecological civilization construction.展开更多
Thunderstorm wind gusts are small in scale,typically occurring within a range of a few kilometers.It is extremely challenging to monitor and forecast thunderstorm wind gusts using only automatic weather stations.There...Thunderstorm wind gusts are small in scale,typically occurring within a range of a few kilometers.It is extremely challenging to monitor and forecast thunderstorm wind gusts using only automatic weather stations.Therefore,it is necessary to establish thunderstorm wind gust identification techniques based on multisource high-resolution observations.This paper introduces a new algorithm,called thunderstorm wind gust identification network(TGNet).It leverages multimodal feature fusion to fuse the temporal and spatial features of thunderstorm wind gust events.The shapelet transform is first used to extract the temporal features of wind speeds from automatic weather stations,which is aimed at distinguishing thunderstorm wind gusts from those caused by synoptic-scale systems or typhoons.Then,the encoder,structured upon the U-shaped network(U-Net)and incorporating recurrent residual convolutional blocks(R2U-Net),is employed to extract the corresponding spatial convective characteristics of satellite,radar,and lightning observations.Finally,by using the multimodal deep fusion module based on multi-head cross-attention,the temporal features of wind speed at each automatic weather station are incorporated into the spatial features to obtain 10-minutely classification of thunderstorm wind gusts.TGNet products have high accuracy,with a critical success index reaching 0.77.Compared with those of U-Net and R2U-Net,the false alarm rate of TGNet products decreases by 31.28%and 24.15%,respectively.The new algorithm provides grid products of thunderstorm wind gusts with a spatial resolution of 0.01°,updated every 10minutes.The results are finer and more accurate,thereby helping to improve the accuracy of operational warnings for thunderstorm wind gusts.展开更多
In the article“A Lightweight Approach for Skin Lesion Detection through Optimal Features Fusion”by Khadija Manzoor,Fiaz Majeed,Ansar Siddique,Talha Meraj,Hafiz Tayyab Rauf,Mohammed A.El-Meligy,Mohamed Sharaf,Abd Ela...In the article“A Lightweight Approach for Skin Lesion Detection through Optimal Features Fusion”by Khadija Manzoor,Fiaz Majeed,Ansar Siddique,Talha Meraj,Hafiz Tayyab Rauf,Mohammed A.El-Meligy,Mohamed Sharaf,Abd Elatty E.Abd Elgawad Computers,Materials&Continua,2022,Vol.70,No.1,pp.1617–1630.DOI:10.32604/cmc.2022.018621,URL:https://www.techscience.com/cmc/v70n1/44361,there was an error regarding the affiliation for the author Hafiz Tayyab Rauf.Instead of“Centre for Smart Systems,AI and Cybersecurity,Staffordshire University,Stoke-on-Trent,UK”,the affiliation should be“Independent Researcher,Bradford,BD80HS,UK”.展开更多
Magnetostrictive Fe-Ga alloys have captivated substantial focus in biomedical applications because of their exceptional transition efficiency and favorable cytocompatibility.Nevertheless,Fe-Ga alloys always exhibit fr...Magnetostrictive Fe-Ga alloys have captivated substantial focus in biomedical applications because of their exceptional transition efficiency and favorable cytocompatibility.Nevertheless,Fe-Ga alloys always exhibit frustrating magnetostriction coefficients when presented in bulk dimensions.It is well-established that the magnetostrictive performance of Fe-Ga alloys is intimately linked to their phase and crystal structures.In this study,various concentrations of boron(B)were doped into Fe_(81)Ga_(19) alloys via the laser-beam powder bed fusion(LPBF)technique to tailor the crystal and phase structures,thereby improving the magnetostrictive performance.The results revealed the capacity for quick solidification of the LPBF process in expediting the solid solution of B element,which increased both lattice distortion and dislocations within the Fe-Ga matrix.These factors contributed to an elevation in the density of the modified-D0_(3) phase structure.Moreover,the prepared Fe-Ga-B alloys also exhibited a(001)preferred grain orientation caused by the high thermal gradients during the LPBF process.As a result,a maximum magnetostriction coefficient of 105 ppm was achieved in the(Fe_(81)Ga_(19))_(98.5)B_(1.5) alloy.In alternating magnetic fields,all the LPBF-prepared alloys showed good dynamic magnetostriction response without visible hysteresis,while the(Fe_(81)Ga_(19))_(98.5)B_(1.5) alloy presented a notable enhancement of~30%in magnetostriction coefficient when compared with the Fe_(81)Ga_(19) alloy.Moreover.the(Fe_(81)Ga_(19))_(98.5)B_(1.5) alloy exhibited favorable biocompatibility and osteogenesis,as confirmed by increased alkaline phosphatase(ALP)activity and the formation of mineralized nodules.These findings suggest that the B-doped Fe-Ga alloys combined with the LPBF technique hold promise for the development of bulk magnetostrictive alloys that are applicable for bone repair applications.展开更多
The accurate prediction of drug absorption,distribution,metabolism,excretion,and toxicity(ADMET)properties represents a crucial step in early drug development for reducing failure risk.Current deep learning approaches...The accurate prediction of drug absorption,distribution,metabolism,excretion,and toxicity(ADMET)properties represents a crucial step in early drug development for reducing failure risk.Current deep learning approaches face challenges with data sparsity and information loss due to single-molecule representation limitations and isolated predictive tasks.This research proposes molecular properties prediction with parallel-view and collaborative learning(MolP-PC),a multi-view fusion and multi-task deep learning framework that integrates 1D molecular fingerprints(MFs),2D molecular graphs,and 3D geometric representations,incorporating an attention-gated fusion mechanism and multi-task adaptive learning strategy for precise ADMET property predictions.Experimental results demonstrate that MolP-PC achieves optimal performance in 27 of 54 tasks,with its multi-task learning(MTL)mechanism significantly enhancing predictive performance on small-scale datasets and surpassing single-task models in 41 of 54 tasks.Additional ablation studies and interpretability analyses confirm the significance of multi-view fusion in capturing multi-dimensional molecular information and enhancing model generalization.A case study examining the anticancer compound Oroxylin A demonstrates MolP-PC’s effective generalization in predicting key pharmacokinetic parameters such as half-life(T0.5)and clearance(CL),indicating its practical utility in drug modeling.However,the model exhibits a tendency to underestimate volume of distribution(VD),indicating potential for improvement in analyzing compounds with high tissue distribution.This study presents an efficient and interpretable approach for ADMET property prediction,establishing a novel framework for molecular optimization and risk assessment in drug development.展开更多
基金sponsored by the National Key Research and Development Program of China(No.2023YFB4606200)Key Program of Science and Technology of Yunnan Province,China (No.202302AB080020)Key Project of Shanghai Zhangjiang National Independent hnovation Demonstration Zone,China(No.ZJ2021-2D-006).
文摘Accurately predicting the State of Health(SOH)of lithium-ion batteries is a critical challenge to ensure their reliability and safety in energy storage systems,such as electric vehicles and renewable energy grids.The intricate battery degradation process is influenced by evolving spatial and temporal interactions among health indicators.Existing methods often fail to capture the dynamic interactions between health indicators over time,resulting in limited predictive accuracy.To address these challenges,we propose a novel framework,Dynamic Graph Learning with Spatial-Temporal Fusion Attention(DGL-STFA),which transforms health indicator series time-data into time-evolving graph representations.The framework employs multi-scale convolutional neural networks to capture diverse temporal patterns,a self-attention mechanism to construct dynamic adjacency matrices that adapt over time,and a temporal attention mechanism to identify and prioritize key moments that influence battery degradation.This combination enables DGL-STFA to effectively model both dynamic spatial relationships and long-term temporal dependencies,enhancing SOH prediction accuracy.Extensive experiments were conducted on the NASA and CALCE battery datasets,comparing this framework with traditional time-series prediction methods and other graph-based prediction methods.The results demonstrate that our framework significantly improves prediction accuracy,with a mean absolute error more than 30%lower than other methods.Further analysis demonstrated the robustness of DGL-STFA across various battery life stages,including early,mid,and end-of-life phases.These results highlight the capability of DGL-STFA to accurately predict SOH,addressing critical challenges in advancing battery health monitoring for energy storage applications.
文摘Smart grid substation operations often take place in hazardous environments and pose significant threats to the safety of power personnel.Relying solely on manual supervision can lead to inadequate oversight.In response to the demand for technology to identify improper operations in substation work scenarios,this paper proposes a substation safety action recognition technology to avoid the misoperation and enhance the safety management.In general,this paper utilizes a dual-branch transformer network to extract spatial and temporal information from the video dataset of operational behaviors in complex substation environments.Firstly,in order to capture the spatial-temporal correlation of people's behaviors in smart grid substation,we devise a sparse attention module and a segmented linear attention module that are embedded into spatial branch transformer and temporal branch transformer respectively.To avoid the redundancy of spatial and temporal information,we fuse the temporal and spatial features using a tensor decomposition fusion module by a decoupled manner.Experimental results indicate that our proposed method accurately detects improper operational behaviors in substation work scenarios,outperforming other existing methods in terms of detection and recognition accuracy.
基金supported by the National Natural Science Foundation of China(Nos.U19A2044,42105132,42030609,41975037,and 42105133)the National Key Research and Development Program of China(No.2022YFC3703502)+1 种基金the Plan for Anhui Major Provincial Science&Technology Project(No.202203a07020003)Hefei Ecological Environment Bureau Project(No.2020BFFFD01804).
文摘As a significant city in the Yangtze River Delta regions,Hefei has experienced rapid changes in the sources of air pollution due to its high-speed economic development and urban expansion.However,there has been limited research in recent years on the spatial-temporal distribution and emission of its atmospheric pollutants.To address this,this study conducted mobile observations of urban roads using the Mobile-DOAS instrument from June 2021 to May 2022.The monitoring results exhibit a favourable consistent with TROPOMI satellite data and ground monitoring station data.Temporally,there were pronounced seasonal variations in air pollutants.Spatially,high concentration of HCHO and NO_(2)were closely associated with traffic congestion on roadways,while heightened SO_(2)levels were attributed to winter heating and industrial emissions.The study also revealed that with the implementation of road policies,the average vehicle speed increased by 95.4%,while the NO concentration decreased by 54.4%.In the estimation of urban NO_(x)emission flux,it was observed that in temporal terms,compared with inventory data,the emissions calculated viamobile measurements exhibitedmore distinct seasonal patterns,with the highest emission rate of 349 g/sec in winter and the lowest of 142 g/sec in summer.In spatial terms,the significant difference in emissions between the inner and outer ring roads also suggests the presence of the city’s primary NO_(x)emission sources in the area between these two rings.This study offers data support for formulating the next phase of air pollution control measures in urban areas.
基金supported by the National Office for Philosophy and Social Sciences(grant reference 22&ZD067).
文摘In the current situation of decelerating economic expansion,examining the digital economy(DE)as a novel economic model is beneficial for the local economy’s sustainable and high-quality development(HQD).We analyzed panel data from the Yellow River(YR)region from 2013 to 2021 and discovered notable spatial variances in the composite index and coupling coordination of the two systems.Specifically,the downstream region exhibited the highest coupling coordination,while the upstream region had the lowest.We identified that favorable factors such as economic development,innovation,industrial upgrading,and government intervention can bolster the coupling.Our findings provide a valuable framework for promoting DE and HQD in the YR region.
基金supported by the National Natural Science Foundation of China(Grant Nos.62472149,62376089,62202147)Hubei Provincial Science and Technology Plan Project(2023BCB04100).
文摘Accurate traffic flow prediction has a profound impact on modern traffic management. Traffic flow has complex spatial-temporal correlations and periodicity, which poses difficulties for precise prediction. To address this problem, a Multi-head Self-attention and Spatial-Temporal Graph Convolutional Network (MSSTGCN) for multiscale traffic flow prediction is proposed. Firstly, to capture the hidden traffic periodicity of traffic flow, traffic flow is divided into three kinds of periods, including hourly, daily, and weekly data. Secondly, a graph attention residual layer is constructed to learn the global spatial features across regions. Local spatial-temporal dependence is captured by using a T-GCN module. Thirdly, a transformer layer is introduced to learn the long-term dependence in time. A position embedding mechanism is introduced to label position information for all traffic sequences. Thus, this multi-head self-attention mechanism can recognize the sequence order and allocate weights for different time nodes. Experimental results on four real-world datasets show that the MSSTGCN performs better than the baseline methods and can be successfully adapted to traffic prediction tasks.
基金supported by the Beijing Natural Science Foundation(Certificate Number:L234025).
文摘Spatial-temporal traffic prediction technology is crucial for network planning,resource allocation optimizing,and user experience improving.With the development of virtual network operators,multi-operator collaborations,and edge computing,spatial-temporal traffic data has taken on a distributed nature.Consequently,noncentralized spatial-temporal traffic prediction solutions have emerged as a recent research focus.Currently,the majority of research typically adopts federated learning methods to train traffic prediction models distributed on each base station.This method reduces additional burden on communication systems.However,this method has a drawback:it cannot handle irregular traffic data.Due to unstable wireless network environments,device failures,insufficient storage resources,etc.,data missing inevitably occurs during the process of collecting traffic data.This results in the irregular nature of distributed traffic data.Yet,commonly used traffic prediction models such as Recurrent Neural Networks(RNN)and Long Short-Term Memory(LSTM)typically assume that the data is complete and regular.To address the challenge of handling irregular traffic data,this paper transforms irregular traffic prediction into problems of estimating latent variables and generating future traffic.To solve the aforementioned problems,this paper introduces split learning to design a structured distributed learning framework.The framework comprises a Global-level Spatial structure mining Model(GSM)and several Nodelevel Generative Models(NGMs).NGM and GSM represent Seq2Seq models deployed on the base station and graph neural network models deployed on the cloud or central controller.Firstly,the time embedding layer in NGM establishes the mapping relationship between irregular traffic data and regular latent temporal feature variables.Secondly,GSM collects statistical feature parameters of latent temporal feature variables from various nodes and executes graph embedding for spatial-temporal traffic data.Finally,NGM generates future traffic based on latent temporal and spatial feature variables.The introduction of the time attention mechanism enhances the framework’s capability to handle irregular traffic data.Graph attention network introduces spatially correlated base station traffic feature information into local traffic prediction,which compensates for missing information in local irregular traffic data.The proposed framework effectively addresses the distributed prediction issues of irregular traffic data.By testing on real world datasets,the proposed framework improves traffic prediction accuracy by 35%compared to other commonly used distributed traffic prediction methods.
基金the National Science Fund for Distinguished Young Scholars of China (No.62025301)the National Natural Science Foundation of China (Nos.62273043 and 62373055)+1 种基金the China National Postdoctoral Program for Innovative Talents (No.BX20230461)the China Postdoctoral Science Foundation (No.2023M740249)。
文摘This paper investigates the spatial-temporal cooperative guidance problem for multiple flight vehicles without relying on time-to-go information.First,a two-stage cooperative guidance strategy,namely the cooperative guidance and the Proportional Navigation Guidance(PNG)stage strategy,is developed to realize the spatial-temporal constraints in two dimensions.At the former stage,two controllers are designed and superimposed to satisfy both impact time consensus and impact angle constraints.Once the convergent conditions are satisfied,the flight vehicles will switch to the PNG stage to ensure zero miss distance.To further extend the results to three dimensions,a planar pursuit guidance stage is additionally imposed at the beginning of guidance.Due to the inde-pendence of time-to-go estimation,the proposed guidance strategy possesses great performance in satisfying complex spatial-temporal constraints even under flight speed variation.Finally,several numerical simulations are implemented to verify the effectiveness and advantages of the proposed results under different scenarios.
基金This work was supported by the National Natural Science Foundation of China(Nos.61833013,61473012 and 62103335)Key Research Program of Jiangxi Province in China(No.20192BBEL50005).
文摘Forest fires pose a significant threat to human life and property,so the utilization of unmanned aircraft systems provides new ways for forest firefighting.Given the constrained load capacities of these aircraft,aerial refueling becomes crucial to extend their operational time and range.In order to address the complexities of firefighting missions involving multi-receiver and multi-tanker deployed from various airports,first,a fuel consumption calculation model for aerial refueling scheduling is established based on the receiver path.Then,two distinct methods,including an integrated one and a decomposed one,are designed to address the challenges of establishing refueling airspace and allocating tasks for tankers.Both methods aim to optimize total fuel consumption of the receivers and tankers within the aerial refueling scheduling framework.The optimization problem is established as nonlinear optimization models along with restrictions.The integrated method seamlessly combines refueling rendezvous point scheduling and tanker task allocation into unified process.It has a complete solution space and excels in optimizing total fuel consumption.The decomposed method,through the separation of rendezvous point scheduling and task allocation,achieves a reduced computational complexity.However,this comes at the cost of sacrificing optimality by excluding specific feasible solutions.Finally,numerical simulations are carried out to verify the feasibility and effectiveness of the proposed methods.These simulations yield insights crucial for the practical engineering application of both the integrated and decomposed methods in real-world scenarios.This comprehensive approach aims to enhance the efficiency of forest firefighting operations,mitigating the risks posed by forest fires to human life and property.
基金This work is partly supported by the National Key Research and Development Program of China(Grant No.2020YFB1805403)the National Natural Science Foundation of China(Grant No.62032002)the 111 Project(Grant No.B21049).
文摘In the Industrial Internet of Things(IIoT),sensors generate time series data to reflect the working state.When the systems are attacked,timely identification of outliers in time series is critical to ensure security.Although many anomaly detection methods have been proposed,the temporal correlation of the time series over the same sensor and the state(spatial)correlation between different sensors are rarely considered simultaneously in these methods.Owing to the superior capability of Transformer in learning time series features.This paper proposes a time series anomaly detection method based on a spatial-temporal network and an improved Transformer.Additionally,the methods based on graph neural networks typically include a graph structure learning module and an anomaly detection module,which are interdependent.However,in the initial phase of training,since neither of the modules has reached an optimal state,their performance may influence each other.This scenario makes the end-to-end training approach hard to effectively direct the learning trajectory of each module.This interdependence between the modules,coupled with the initial instability,may cause the model to find it hard to find the optimal solution during the training process,resulting in unsatisfactory results.We introduce an adaptive graph structure learning method to obtain the optimal model parameters and graph structure.Experiments on two publicly available datasets demonstrate that the proposed method attains higher anomaly detection results than other methods.
基金Under the auspices of the National Natural Science Foundation of China(No.71974070)‘CUG Scholar'Scientific Research Funds at China University of Geosciences(Wuhan)(No.2022005)。
文摘The spatial and temporal variation of green economic efficiency and its driving factors are of great significance for the construction of high-efficiency and low-consumption green development model and sustainable socio-economic development.The research focused on the Yangtze River Economic Belt(YREB)and employed the miniumum distance to strong efficient frontier DEA(MinDs)model to measure the green economic efficiency of the municipalities in the region between 2008 and 2020.Then,the spatial autocorrelation model was used to analyze the evolution characteristics of its spatial pattern.Finally,Geodetector was applied to reveal the drivers and their interactions on green economic efficiency.It is found that:1)the overall green economic efficiency of the YREB from 2008 to 2020 shows a W-shaped fluctuating upward trend,green economic efficiency is greater in the downstream and smallest in the upstream;2)the spatial distribution of green economic efficiency shows clustering characteristics,with multi-core clustering based on‘city clusters-central cities'becoming more obvious over time;the High-High agglomeration type is mainly clustered in Jiangsu and Zheji-ang,while the Low-Low agglomeration type is clustered in the western Sichuan Plateau area and southwestern Yunnan;3)from input-output factors,whether it is the YREB as a whole or the upper,middle and lower reaches regions,the economic development level,labor input,and capital investment are the leading factors in the spatial-temporal evolution of green economic efficiency,with the com-prehensive influence of economic development level and pollution index being the most important interactive driving factor;4)from so-cio-economic factors,information technology drivers such as government intervention,transportation accessibility,information infra-structure,and Internet penetration are always high impact influencers and dominant interaction factors for green economic efficiency in the YREB and the three major regions in the upper,middle and lower reaches.Accordingly,the article puts forward relevant policy re-commendations in terms of formulating differentiated green transformation strategies,strengthening network leadership and informa-tion technology construction and coordinating multi-factor integrated development,which could provide useful reference for promoting synergistic green economic efficiency in the YREB.
基金supported by the Graduate Research and Innovation Project of Chongqing Normal University[Grant No.YKC23035],comprehensive evaluation,and driving factors of urban resilience in the Chengdu-Chongqing Economic Circle.
文摘To clarify the connotations and extensions of urban resilience,this study focuses on the Chengdu-Chongqing Economic Circle with 16 cities as research subjects.A comprehensive evaluation index system was constructed to measure the resilience of each city from 2003 to 2020.The spatial-temporal evolution characteristics were analyzed using Kernel density estimation,standard deviation ellipse,and spatial Markov chain analysis,and the spatial Tobit model was introduced to discover the influencing factors.The results indicate the following:①Urban resilience in the Chengdu-Chongqing Economic Circle displays an upward trend,with the center of gravity moving to the southwest,and the polarization phenomenon intensifying.②The urban resilience level in a region has certain spatial and geographical dependence,while the probability of urban resilience transfer differs in adjacent cities with different resilience levels.③Urban centrality,economic scale,openness level,and financial development promote urban resilience,whereas government scale significantly inhibits it.Finally,this paper proposes countermeasures and suggestions to improve the urban resilience of the Chengdu-Chongqing Economic Circle.
基金supported by the China Scholarship Council and the CERNET Innovation Project under grant No.20170111.
文摘The prediction for Multivariate Time Series(MTS)explores the interrelationships among variables at historical moments,extracts their relevant characteristics,and is widely used in finance,weather,complex industries and other fields.Furthermore,it is important to construct a digital twin system.However,existing methods do not take full advantage of the potential properties of variables,which results in poor predicted accuracy.In this paper,we propose the Adaptive Fused Spatial-Temporal Graph Convolutional Network(AFSTGCN).First,to address the problem of the unknown spatial-temporal structure,we construct the Adaptive Fused Spatial-Temporal Graph(AFSTG)layer.Specifically,we fuse the spatial-temporal graph based on the interrelationship of spatial graphs.Simultaneously,we construct the adaptive adjacency matrix of the spatial-temporal graph using node embedding methods.Subsequently,to overcome the insufficient extraction of disordered correlation features,we construct the Adaptive Fused Spatial-Temporal Graph Convolutional(AFSTGC)module.The module forces the reordering of disordered temporal,spatial and spatial-temporal dependencies into rule-like data.AFSTGCN dynamically and synchronously acquires potential temporal,spatial and spatial-temporal correlations,thereby fully extracting rich hierarchical feature information to enhance the predicted accuracy.Experiments on different types of MTS datasets demonstrate that the model achieves state-of-the-art single-step and multi-step performance compared with eight other deep learning models.
基金Supported by projects of the National Natural Science Foundation of China(Nos.92062216,41888101).
文摘Highly evolved granite is an important sign of the mature continent crust and closely associated with deposits of rare metals.In this work,the authors undertake systematically zircon U-Pb ages and whole rock elemental data for highly evolved granitic intrusions from the Great Xing’an Range(GXR),NE China,to elucidate their discriminant criteria,spatial-temporal distribution,differentiation and geodynamic mecha-nism.Geochemical data of these highly evolved granites suggest that high w(SiO_(2))(>70%)and differentiation index(DI>88)could be quantified indicators,while strong Eu depletion,high TE_(1,3),lowΣREE and low Zr/Hf,Nb/Ta,K/Rb could only be qualitative indicators.Zircon U-Pb ages suggest that the highly evolved gran-ites in the GXR were mainly formed in Late Mesozoic,which can be divided into two major stages:Late Ju-rassic-early Early Cretaceous(162-136 Ma,peak at 138 Ma),and late Early Cretaceous(136-106 Ma,peak at 126 Ma).The highly evolved granites are mainly distributed in the central-southern GXR,and display a weakly trend of getting younger from northwest to southeast,meanwhile indicating the metallogenic potential of rare metals within the central GXR.The spatial-temporal distribution,combined with regional geological data,indicates the highly evolved Mesozoic granites in the GXR were emplaced in an extensional environ-ment,of which the Late Jurassic-early Early Cretaceous extension was related to the closure of the Mongol-Okhotsk Ocean and roll-back of the Paleo-Pacific Plate,while the late Early Cretaceous extension was mainly related to the roll-back of the Paleo-Pacific Plate.
基金the National Natural Science Foundation of China(No.61461027,61762059)the Provincial Science and Technology Program supported the Key Project of Natural Science Foundation of Gansu Province(No.22JR5RA226)。
文摘Considering the nonlinear structure and spatial-temporal correlation of traffic network,and the influence of potential correlation between nodes of traffic network on the spatial features,this paper proposes a traffic speed prediction model based on the combination of graph attention network with self-adaptive adjacency matrix(SAdpGAT)and bidirectional gated recurrent unit(BiGRU).First-ly,the model introduces graph attention network(GAT)to extract the spatial features of real road network and potential road network respectively in spatial dimension.Secondly,the spatial features are input into BiGRU to extract the time series features.Finally,the prediction results of the real road network and the potential road network are connected to generate the final prediction results of the model.The experimental results show that the prediction accuracy of the proposed model is im-proved obviously on METR-LA and PEMS-BAY datasets,which proves the advantages of the pro-posed spatial-temporal model in traffic speed prediction.
文摘As an important river in the western part of Jilin Province,the lower reach of the Nenjiang River is an important wetland water source conservation area in Jilin Province.Within the watershed,it governs the Momoge Wetland,the Xianghai Wetland,and the Danjiang Wetland in Jilin Province.The main problem in the lower reaches of the Nenjiang River is the uneven distribution of water resources in time and space,and the intensification of land salinization.Zhenlai County and Da an City in the Nenjiang River Basin have sufficient surface water resources,with surface water as the drinking water source.Baicheng City and Tongyu County have scarce surface water resources,and both use groundwater as their domestic water source.The main polluted section in the basin is the Xianghai Reservoir,and the annual water quality evaluation is Class V.However,the water quality of the Tao er River,the main stream of the Nenjiang River,is significantly better than that of the Xianghai Reservoir.In order to better study the water environmental pollution situation in the Nenjiang River basin,monitoring data from five sections of non seasonal rivers in the basin from 2012 to 2021 were selected for studying water quality.This in-depth exploration of the water pollution status and river water quality change trends in the Nenjiang River basin is of great significance for future rural development,agricultural pattern transformation,and the promotion of water ecological civilization construction.
基金supported by the National Key Research and Development Program of China(Grant No.2022YFC3004104)the National Natural Science Foundation of China(Grant No.U2342204)+4 种基金the Innovation and Development Program of the China Meteorological Administration(Grant No.CXFZ2024J001)the Open Research Project of the Key Open Laboratory of Hydrology and Meteorology of the China Meteorological Administration(Grant No.23SWQXZ010)the Science and Technology Plan Project of Zhejiang Province(Grant No.2022C03150)the Open Research Fund Project of Anyang National Climate Observatory(Grant No.AYNCOF202401)the Open Bidding for Selecting the Best Candidates Program(Grant No.CMAJBGS202318)。
文摘Thunderstorm wind gusts are small in scale,typically occurring within a range of a few kilometers.It is extremely challenging to monitor and forecast thunderstorm wind gusts using only automatic weather stations.Therefore,it is necessary to establish thunderstorm wind gust identification techniques based on multisource high-resolution observations.This paper introduces a new algorithm,called thunderstorm wind gust identification network(TGNet).It leverages multimodal feature fusion to fuse the temporal and spatial features of thunderstorm wind gust events.The shapelet transform is first used to extract the temporal features of wind speeds from automatic weather stations,which is aimed at distinguishing thunderstorm wind gusts from those caused by synoptic-scale systems or typhoons.Then,the encoder,structured upon the U-shaped network(U-Net)and incorporating recurrent residual convolutional blocks(R2U-Net),is employed to extract the corresponding spatial convective characteristics of satellite,radar,and lightning observations.Finally,by using the multimodal deep fusion module based on multi-head cross-attention,the temporal features of wind speed at each automatic weather station are incorporated into the spatial features to obtain 10-minutely classification of thunderstorm wind gusts.TGNet products have high accuracy,with a critical success index reaching 0.77.Compared with those of U-Net and R2U-Net,the false alarm rate of TGNet products decreases by 31.28%and 24.15%,respectively.The new algorithm provides grid products of thunderstorm wind gusts with a spatial resolution of 0.01°,updated every 10minutes.The results are finer and more accurate,thereby helping to improve the accuracy of operational warnings for thunderstorm wind gusts.
文摘In the article“A Lightweight Approach for Skin Lesion Detection through Optimal Features Fusion”by Khadija Manzoor,Fiaz Majeed,Ansar Siddique,Talha Meraj,Hafiz Tayyab Rauf,Mohammed A.El-Meligy,Mohamed Sharaf,Abd Elatty E.Abd Elgawad Computers,Materials&Continua,2022,Vol.70,No.1,pp.1617–1630.DOI:10.32604/cmc.2022.018621,URL:https://www.techscience.com/cmc/v70n1/44361,there was an error regarding the affiliation for the author Hafiz Tayyab Rauf.Instead of“Centre for Smart Systems,AI and Cybersecurity,Staffordshire University,Stoke-on-Trent,UK”,the affiliation should be“Independent Researcher,Bradford,BD80HS,UK”.
基金supported by the National Natural Science Foundation of China(Nos.52275395,51935014,and 82072084)the Science and Technology Innovation Program of Hunan Province(No.2023RC3046)+4 种基金the Young Elite Scientists Sponsorship Program byCAST(No.2020QNRC002)the NationalKeyResearchand Development Program of China(No.2023YFB4605800)the Central South University Innovation-Driven Research Programme(No.2023CXQD023)the Jiangxi Provincial Natural Science Foundation of China(No.20224ACB204013)the Project of State Key Laboratory of Precision Manufacturing for Extreme Service Performance,Central South University.
文摘Magnetostrictive Fe-Ga alloys have captivated substantial focus in biomedical applications because of their exceptional transition efficiency and favorable cytocompatibility.Nevertheless,Fe-Ga alloys always exhibit frustrating magnetostriction coefficients when presented in bulk dimensions.It is well-established that the magnetostrictive performance of Fe-Ga alloys is intimately linked to their phase and crystal structures.In this study,various concentrations of boron(B)were doped into Fe_(81)Ga_(19) alloys via the laser-beam powder bed fusion(LPBF)technique to tailor the crystal and phase structures,thereby improving the magnetostrictive performance.The results revealed the capacity for quick solidification of the LPBF process in expediting the solid solution of B element,which increased both lattice distortion and dislocations within the Fe-Ga matrix.These factors contributed to an elevation in the density of the modified-D0_(3) phase structure.Moreover,the prepared Fe-Ga-B alloys also exhibited a(001)preferred grain orientation caused by the high thermal gradients during the LPBF process.As a result,a maximum magnetostriction coefficient of 105 ppm was achieved in the(Fe_(81)Ga_(19))_(98.5)B_(1.5) alloy.In alternating magnetic fields,all the LPBF-prepared alloys showed good dynamic magnetostriction response without visible hysteresis,while the(Fe_(81)Ga_(19))_(98.5)B_(1.5) alloy presented a notable enhancement of~30%in magnetostriction coefficient when compared with the Fe_(81)Ga_(19) alloy.Moreover.the(Fe_(81)Ga_(19))_(98.5)B_(1.5) alloy exhibited favorable biocompatibility and osteogenesis,as confirmed by increased alkaline phosphatase(ALP)activity and the formation of mineralized nodules.These findings suggest that the B-doped Fe-Ga alloys combined with the LPBF technique hold promise for the development of bulk magnetostrictive alloys that are applicable for bone repair applications.
基金supported by the research on key technologies for monitoring and identifying drug abuse of anesthetic drugs and psychotropic drugs,and intervention for addiction(No.2023YFC3304200)the program of a study on the diagnosis of addiction to synthetic cannabinoids and methods of assessing the risk of abuse(No.2022YFC3300905)+1 种基金the program of Ab initio design and generation of AI models for small molecule ligands based on target structures(No.2022PE0AC03)ZHIJIANG LAB.
文摘The accurate prediction of drug absorption,distribution,metabolism,excretion,and toxicity(ADMET)properties represents a crucial step in early drug development for reducing failure risk.Current deep learning approaches face challenges with data sparsity and information loss due to single-molecule representation limitations and isolated predictive tasks.This research proposes molecular properties prediction with parallel-view and collaborative learning(MolP-PC),a multi-view fusion and multi-task deep learning framework that integrates 1D molecular fingerprints(MFs),2D molecular graphs,and 3D geometric representations,incorporating an attention-gated fusion mechanism and multi-task adaptive learning strategy for precise ADMET property predictions.Experimental results demonstrate that MolP-PC achieves optimal performance in 27 of 54 tasks,with its multi-task learning(MTL)mechanism significantly enhancing predictive performance on small-scale datasets and surpassing single-task models in 41 of 54 tasks.Additional ablation studies and interpretability analyses confirm the significance of multi-view fusion in capturing multi-dimensional molecular information and enhancing model generalization.A case study examining the anticancer compound Oroxylin A demonstrates MolP-PC’s effective generalization in predicting key pharmacokinetic parameters such as half-life(T0.5)and clearance(CL),indicating its practical utility in drug modeling.However,the model exhibits a tendency to underestimate volume of distribution(VD),indicating potential for improvement in analyzing compounds with high tissue distribution.This study presents an efficient and interpretable approach for ADMET property prediction,establishing a novel framework for molecular optimization and risk assessment in drug development.
