Tomato is a major economic crop worldwide,and diseases on tomato leaves can significantly reduce both yield and quality.Traditional manual inspection is inefficient and highly subjective,making it difficult to meet th...Tomato is a major economic crop worldwide,and diseases on tomato leaves can significantly reduce both yield and quality.Traditional manual inspection is inefficient and highly subjective,making it difficult to meet the requirements of early disease identification in complex natural environments.To address this issue,this study proposes an improved YOLO11-based model,YOLO-SPDNet(Scale Sequence Fusion,Position-Channel Attention,and Dual Enhancement Network).The model integrates the SEAM(Self-Ensembling Attention Mechanism)semantic enhancement module,the MLCA(Mixed Local Channel Attention)lightweight attention mechanism,and the SPA(Scale-Position-Detail Awareness)module composed of SSFF(Scale Sequence Feature Fusion),TFE(Triple Feature Encoding),and CPAM(Channel and Position Attention Mechanism).These enhancements strengthen fine-grained lesion detection while maintaining model lightweightness.Experimental results show that YOLO-SPDNet achieves an accuracy of 91.8%,a recall of 86.5%,and an mAP@0.5 of 90.6%on the test set,with a computational complexity of 12.5 GFLOPs.Furthermore,the model reaches a real-time inference speed of 987 FPS,making it suitable for deployment on mobile agricultural terminals and online monitoring systems.Comparative analysis and ablation studies further validate the reliability and practical applicability of the proposed model in complex natural scenes.展开更多
Objective This study aimed to explore a novel method that integrates the segmentation guidance classification and the dif-fusion model augmentation to realize the automatic classification for tibial plateau fractures(...Objective This study aimed to explore a novel method that integrates the segmentation guidance classification and the dif-fusion model augmentation to realize the automatic classification for tibial plateau fractures(TPFs).Methods YOLOv8n-cls was used to construct a baseline model on the data of 3781 patients from the Orthopedic Trauma Center of Wuhan Union Hospital.Additionally,a segmentation-guided classification approach was proposed.To enhance the dataset,a diffusion model was further demonstrated for data augmentation.Results The novel method that integrated the segmentation-guided classification and diffusion model augmentation sig-nificantly improved the accuracy and robustness of fracture classification.The average accuracy of classification for TPFs rose from 0.844 to 0.896.The comprehensive performance of the dual-stream model was also significantly enhanced after many rounds of training,with both the macro-area under the curve(AUC)and the micro-AUC increasing from 0.94 to 0.97.By utilizing diffusion model augmentation and segmentation map integration,the model demonstrated superior efficacy in identifying SchatzkerⅠ,achieving an accuracy of 0.880.It yielded an accuracy of 0.898 for SchatzkerⅡandⅢand 0.913 for SchatzkerⅣ;for SchatzkerⅤandⅥ,the accuracy was 0.887;and for intercondylar ridge fracture,the accuracy was 0.923.Conclusion The dual-stream attention-based classification network,which has been verified by many experiments,exhibited great potential in predicting the classification of TPFs.This method facilitates automatic TPF assessment and may assist surgeons in the rapid formulation of surgical plans.展开更多
The growing number of COVID-19 cases puts pressure on healthcare services and public institutions worldwide.The pandemic has brought much uncertainty to the global economy and the situation in general.Forecasting meth...The growing number of COVID-19 cases puts pressure on healthcare services and public institutions worldwide.The pandemic has brought much uncertainty to the global economy and the situation in general.Forecasting methods and modeling techniques are important tools for governments to manage critical situations caused by pandemics,which have negative impact on public health.The main purpose of this study is to obtain short-term forecasts of disease epidemiology that could be useful for policymakers and public institutions to make necessary short-term decisions.To evaluate the effectiveness of the proposed attention-based method combining certain data mining algorithms and the classical ARIMA model for short-term forecasts,data on the spread of the COVID-19 virus in Lithuania is used,the forecasts of epidemic dynamics were examined,and the results were presented in the study.Nevertheless,the approach presented might be applied to any country and other pandemic situations.The COVID-19 outbreak started at different times in different countries,hence some countries have a longer history of the disease with more historical data than others.The paper proposes a novel approach to data registration and machine learning-based analysis using data from attention-based countries for forecast validation to predict trends of the spread of COVID-19 and assess risks.展开更多
In the current digital era,new technologies are becoming an essential part of our lives.Consequently,the number ofmalicious software ormalware attacks is rapidly growing.There is no doubt,themajority ofmalware attacks...In the current digital era,new technologies are becoming an essential part of our lives.Consequently,the number ofmalicious software ormalware attacks is rapidly growing.There is no doubt,themajority ofmalware attacks can be detected by most antivirus programs.However,such types of antivirus programs are one step behind malicious software.Due to these dilemmas,deep learning become popular in the detection and classification of malicious data.Therefore,researchers have significantly focused on finding solutions for malware attacks by analyzing malicious samples with the help of different techniques and models.In this research,we presented a lightweight attention-based novel deep Convolutional Neural Network(DNN-CNN)model for binary and multi-class malware classification,including benign,trojan horse,ransomware,and spyware.We applied the Principal Component Analysis(PCA)technique for feature extraction for binary classification.We used the Synthetic Minority Oversampling Technique(SMOTE)to handle the imbalanced data during multi-class classification.Our proposed attention-based malware detectionmodel is trained on the benchmarkmalware memory dataset named CIC-MalMem-2022.Theresults indicate that our model obtained high accuracy for binary and multi-class classification,99.5% and 97.9%,respectively.展开更多
Dynamic sign language recognition holds significant importance, particularly with the application of deep learning to address its complexity. However, existing methods face several challenges. Firstly, recognizing dyn...Dynamic sign language recognition holds significant importance, particularly with the application of deep learning to address its complexity. However, existing methods face several challenges. Firstly, recognizing dynamic sign language requires identifying keyframes that best represent the signs, and missing these keyframes reduces accuracy. Secondly, some methods do not focus enough on hand regions, which are small within the overall frame, leading to information loss. To address these challenges, we propose a novel Video Transformer Attention-based Network (VTAN) for dynamic sign language recognition. Our approach prioritizes informative frames and hand regions effectively. To tackle the first issue, we designed a keyframe extraction module enhanced by a convolutional autoencoder, which focuses on selecting information-rich frames and eliminating redundant ones from the video sequences. For the second issue, we developed a soft attention-based transformer module that emphasizes extracting features from hand regions, ensuring that the network pays more attention to hand information within sequences. This dual-focus approach improves effective dynamic sign language recognition by addressing the key challenges of identifying critical frames and emphasizing hand regions. Experimental results on two public benchmark datasets demonstrate the effectiveness of our network, outperforming most of the typical methods in sign language recognition tasks.展开更多
Predicting the displacement of landslide is of utmost practical importance as the landslide can pose serious threats to both human life and property.However,traditional methods have the limitation of random selection ...Predicting the displacement of landslide is of utmost practical importance as the landslide can pose serious threats to both human life and property.However,traditional methods have the limitation of random selection in sliding window selection and seldom incorporate weather forecast data for displacement prediction,while a single structural model cannot handle input sequences of different lengths at the same time.In order to solve these limitations,in this study,a new approach is proposed that utilizes weather forecast data and incorporates the maximum information coefficient(MIC),long short-term memory network(LSTM),and attention mechanism to establish a teacher-student coupling model with parallel structure for short-term landslide displacement prediction.Through MIC,a suitable input sequence length is selected for the LSTM model.To investigate the influence of rainfall on landslides during different seasons,a parallel teacher-student coupling model is developed that is able to learn sequential information from various time series of different lengths.The teacher model learns sequence information from rainfall intensity time series while incorporating reliable short-term weather forecast data from platforms such as China Meteorological Administration(CMA)and Reliable Prognosis(https://rp5.ru)to improve the model’s expression capability,and the student model learns sequence information from other time series.An attention module is then designed to integrate different sequence information to derive a context vector,representing seasonal temporal attention mode.Finally,the predicted displacement is obtained through a linear layer.The proposed method demonstrates superior prediction accuracies,surpassing those of the support vector machine(SVM),LSTM,recurrent neural network(RNN),temporal convolutional network(TCN),and LSTM-Attention models.It achieves a mean absolute error(MAE)of 0.072 mm,root mean square error(RMSE)of 0.096 mm,and pearson correlation coefficients(PCCS)of 0.85.Additionally,it exhibits enhanced prediction stability and interpretability,rendering it an indispensable tool for landslide disaster prevention and mitigation.展开更多
Model evaluation using benchmark datasets is an important method to measure the capability of large language models(LLMs)in specific domains,and it is mainly used to assess the knowledge and reasoning abilities of LLM...Model evaluation using benchmark datasets is an important method to measure the capability of large language models(LLMs)in specific domains,and it is mainly used to assess the knowledge and reasoning abilities of LLMs.Therefore,in order to better assess the capability of LLMs in the agricultural domain,Agri-Eval was proposed as a benchmark for assessing the knowledge and reasoning ability of LLMs in agriculture.The assessment dataset used in Agri-Eval covered seven major disciplines in the agricultural domain:crop science,horticulture,plant protection,animal husbandry,forest science,aquaculture science,and grass science,and contained a total of 2283 questions.Among domestic general-purpose LLMs,DeepSeek R1 performed best with an accuracy rate of 75.49%.In the realm of international general-purpose LLMs,Gemini 2.0 pro exp 0205 standed out as the top performer,achieving an accuracy rate of 74.28%.As an LLMs in agriculture vertical,Shennong V2.0 outperformed all the LLMs in China,and the answer accuracy rate of agricultural knowledge exceeded that of all the existing general-purpose LLMs.The launch of Agri-Eval helped the LLM developers to comprehensively evaluate the model's capability in the field of agriculture through a variety of tasks and tests to promote the development of the LLMs in the field of agriculture.展开更多
In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asy...In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asymptotic stability of the trivial solution and the positive periodic solution.Finally,numerical simulations are presented to validate our results.Our results show that age-selective harvesting is more conducive to sustainable population survival than non-age-selective harvesting.展开更多
In recent years,there has been an increasing need for climate information across diverse sectors of society.This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and cha...In recent years,there has been an increasing need for climate information across diverse sectors of society.This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change.Likewise,this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa.By leveraging a large volume of climate model outputs,numerous studies have investigated the model representation of African precipitation as well as underlying physical processes.These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies.This paper provides a review of the progress in precipitation simulation overAfrica in state-of-the-science climate models and discusses the major issues and challenges that remain.展开更多
The Reynolds-averaged Navier-Stokes(RANS)technique enables critical engineering predictions and is widely adopted.However,since this iterative computation relies on the fixed-point iteration,it may converge to unexpec...The Reynolds-averaged Navier-Stokes(RANS)technique enables critical engineering predictions and is widely adopted.However,since this iterative computation relies on the fixed-point iteration,it may converge to unexpected non-physical phase points in practice.We conduct an analysis on the phase-space characteristics and the fixed-point theory underlying the k-ε turbulence model,and employ the classical Kolmogorov flow as a framework,leveraging its direct numerical simulation(DNS)data to construct a one-dimensional(1D)system under periodic/fixed boundary conditions.The RANS results demonstrate that under periodic boundary conditions,the k-ε model exhibits only a unique trivial fixed point,with asymptotes capturing the phase portraits.The stability of this trivial fixed point is determined by a mathematically derived stability phase diagram,indicating the fact that the k-ε model will never converge to correct values under periodic conditions.In contrast,under fixed boundary conditions,the model can yield a stable non-trivial fixed point.The evolutionary mechanisms and their relationship with boundary condition settings systematically explain the inherent limitations of the k-ε model,i.e.,its deficiency in computing the flow field under periodic boundary conditions and sensitivity to boundary-value specifications under fixed boundary conditions.These conclusions are finally validated with the open-source code OpenFOAM.展开更多
Utilizing finite element analysis,the ballistic protection provided by a combination of perforated D-shaped and base armor plates,collectively referred to as radiator armor,is evaluated.ANSYS Explicit Dynamics is empl...Utilizing finite element analysis,the ballistic protection provided by a combination of perforated D-shaped and base armor plates,collectively referred to as radiator armor,is evaluated.ANSYS Explicit Dynamics is employed to simulate the ballistic impact of 7.62 mm armor-piercing projectiles on Aluminum AA5083-H116 and Steel Secure 500 armors,focusing on the evaluation of material deformation and penetration resistance at varying impact points.While the D-shaped armor plate is penetrated by the armor-piercing projectiles,the combination of the perforated D-shaped and base armor plates successfully halts penetration.A numerical model based on the finite element method is developed using software such as SolidWorks and ANSYS to analyze the interaction between radiator armor and bullet.The perforated design of radiator armor is to maintain airflow for radiator function,with hole sizes smaller than the bullet core diameter to protect radiator assemblies.Predictions are made regarding the brittle fracture resulting from the projectile core′s bending due to asymmetric impact,and the resulting fragments failed to penetrate the perforated base armor plate.Craters are formed on the surface of the perforated D-shaped armor plate due to the impact of projectile fragments.The numerical model accurately predicts hole growth and projectile penetration upon impact with the armor,demonstrating effective protection of the radiator assemblies by the radiator armor.展开更多
Recommendation systems are key to boosting user engagement,satisfaction,and retention,particularly on media platforms where personalized content is vital.Sequential recommendation systems learn from user-item interact...Recommendation systems are key to boosting user engagement,satisfaction,and retention,particularly on media platforms where personalized content is vital.Sequential recommendation systems learn from user-item interactions to predict future items of interest.However,many current methods rely on unique user and item IDs,limiting their ability to represent users and items effectively,especially in zero-shot learning scenarios where training data is scarce.With the rapid development of Large Language Models(LLMs),researchers are exploring their potential to enhance recommendation systems.However,there is a semantic gap between the linguistic semantics of LLMs and the collaborative semantics of recommendation systems,where items are typically indexed by IDs.Moreover,most research focuses on item representations,neglecting personalized user modeling.To address these issues,we propose a sequential recommendation framework using LLMs,called CIT-Rec,a model that integrates Collaborative semantics for user representation and Image and Text information for item representation to enhance Recommendations.Specifically,by aligning intuitive image information with text containing semantic features,we can more accurately represent items,improving item representation quality.We focus not only on item representations but also on user representations.To more precisely capture users’personalized preferences,we use traditional sequential recommendation models to train on users’historical interaction data,effectively capturing behavioral patterns.Finally,by combining LLMs and traditional sequential recommendation models,we allow the LLM to understand linguistic semantics while capturing collaborative semantics.Extensive evaluations on real-world datasets show that our model outperforms baseline methods,effectively combining user interaction history with item visual and textual modalities to provide personalized recommendations.展开更多
The National Geophysical Data Center(NGDC)of the United States has collected aeromagnetic data for input into a series of geomagnetic models to improve model resolution;however,in the Tibetan Plateau region,ground-bas...The National Geophysical Data Center(NGDC)of the United States has collected aeromagnetic data for input into a series of geomagnetic models to improve model resolution;however,in the Tibetan Plateau region,ground-based observations remain insufficient to clearly reflect the characteristics of the region’s lithospheric magnetism.In this study,we evaluate the lithospheric magnetism of the Tibetan Plateau by using a 3D surface spline model based on observations from>200 newly constructed repeat stations(portable stations)to determine the spatial distribution of plateau geomagnetism,as well as its correlation with the tectonic features of the region.We analyze the relationships between M≥5 earthquakes and lithospheric magnetic field variations on the Tibetan Plateau and identify regions susceptible to strong earthquakes.We compare the geomagnetic results with those from an enhanced magnetic model(EMM2015)developed by the NGDC and provide insights into improving lithospheric magnetic field calculations in the Tibetan Plateau region.Further research reveals that these magnetic anomalies exhibit distinct differences from the magnetic-seismic correlation mechanisms observed in other tectonic settings;here,they are governed primarily by the combined effects of compressional magnetism,thermal magnetism,and deep thermal stress.This study provides new evidence of geomagnetic anomalies on the Tibetan Plateau,interprets them physically,and demonstrates their potential for identifying seismic hazard zones on the Plateau.展开更多
(Quasi-)closed-form results for the statistical properties of unmanned aerial vehicle(UAV)airto-ground channels are derived for the first time using a novel spatial-vector-based method from a threedimensional(3-D)arbi...(Quasi-)closed-form results for the statistical properties of unmanned aerial vehicle(UAV)airto-ground channels are derived for the first time using a novel spatial-vector-based method from a threedimensional(3-D)arbitrary-elevation one-cylinder model.The derived results include a closed-form expression for the space-time correlation function and some quasi-closed-form ones for the space-Doppler power spectrum density,the level crossing rate,and the average fading duration,which are shown to be the generalizations of those previously obtained from the two-dimensional(2-D)one-ring model and the 3-D low-elevation one-cylinder model for terrestrial mobile-to-mobile channels.The close agreements between the theoretical results and the simulations as well as the measurements validate the utility of the derived channel statistics.Based on the derived expressions,the impacts of some parameters on the channel characteristics are investigated in an effective,efficient,and explicable way,which leads to a general guideline on the manual parameter estimation from the measurement description.展开更多
Effective management of mining areas in the Luo River Basin,located in the eastern Qinling Mountains,is vital for the integrated protection and restoration needed to support the high-quality development of the Yellow ...Effective management of mining areas in the Luo River Basin,located in the eastern Qinling Mountains,is vital for the integrated protection and restoration needed to support the high-quality development of the Yellow River Basin.Using the‘cupball'model,this study analyzes the limiting factors and restoration characteristics across four mining areas and proposes a conceptual model for selecting appropriate restoration approaches.A second conceptual model is then introduced to address regional development needs,incorporating ecological conservation,safety protection,and people's wellbeing.The applicability of the integrated model selection framework is demonstrated through a case study on the south bank of the Qinglongjian River.The results indicate that:(1)The key limiting factors are similar across cases,but the degree of ecological degradation varies.(2)Mildly degraded areas are represented by a shallower and narrower‘cup',where natural recovery is the preferred approach,whereas moderately and severely degraded systems call for assisted regeneration and ecological reconstruction,respectively.(3)When the restoration models determined based on limiting factors and development needs are consistent,the model is directly applicable;if they differ,the option involving less artificial intervention is preferred;(4)Monitoring of the restored mining area on the Qinglongjian River's south bank confirms significant improvements in soil erosion control and vegetation coverage.This study provides a transferable methodology for balancing resource extraction with ecosystem conservation,offering practical insights for other ecologically vulnerable mining regions.展开更多
Climate model prediction has been improved by enhancing model resolution as well as the implementation of sophisticated physical parameterization and refinement of data assimilation systems[section 6.1 in Wang et al.(...Climate model prediction has been improved by enhancing model resolution as well as the implementation of sophisticated physical parameterization and refinement of data assimilation systems[section 6.1 in Wang et al.(2025)].In relation to seasonal forecasting and climate projection in the East Asian summer monsoon season,proper simulation of the seasonal migration of rain bands by models is a challenging and limiting factor[section 7.1 in Wang et al.(2025)].展开更多
In rock engineering,natural cracks in rock masses subjected to external loads tend to initiate and propagate,leading to potential safety hazards.To investigate the effect of cracking behavior on the mechanical propert...In rock engineering,natural cracks in rock masses subjected to external loads tend to initiate and propagate,leading to potential safety hazards.To investigate the effect of cracking behavior on the mechanical properties of rocks,the cracking processes of pre-cracked rocks have been extensively studied using numerical modeling methods.The peridynamics(PD)exhibits advantages over other numerical methods due to the absence of the requirements for remeshing and external crack growth criterion.However,for modeling pre-cracked rock cracking processes under impact,current PD implementations lack generally applicable rock constitutive models and impact contact models,which leads to difficulties in determining rock material parameters and efficiently calculating impact loads.This paper proposes a non-ordinary state-based peridynamics(NOSBPD)modeling method integrating the Drucker-Prager(DP)plasticity model and an efficient contact model to address the above problems.In the proposed method,the Drucker-Prager plasticity model is integrated into the NOSBPD,thereby equipping NOSBPD with the capability to accurately characterize the nonlinear stress-strain relationship inherent in rocks.An efficient contact model between particles and meshes is designed to calculate the impact loads,which is essentially a coupling method of PD with the finite element method(FEM).The effectiveness of the proposed NOSBPD modeling method is verified by comparison with other numerical methods and experiments.Experimental results indicate that the proposed method can effectively and accurately predict the 3D cracking processes of pre-cracked cracks under impact loading,and the maximum principal stress is the key driver behind wing crack formation in pre-cracked rocks.展开更多
Federated Learning(FL)enables joint training over distributed devices without data exchange but is highly vulnerable to attacks by adversaries in the form of model poisoning and malicious update injection.This work pr...Federated Learning(FL)enables joint training over distributed devices without data exchange but is highly vulnerable to attacks by adversaries in the form of model poisoning and malicious update injection.This work proposes Secured-FL,a blockchain-based defensive framework that combines smart contract-based authentication,clustering-driven outlier elimination,and dynamic threshold adjustment to defend against adversarial attacks.The framework was implemented on a private Ethereum network with a Proof-of-Authority consensus algorithm to ensure tamper-resistant and auditable model updates.Large-scale simulation on the Cyber Data dataset,under up to 50%malicious client settings,demonstrates Secured-FL achieves 6%-12%higher accuracy,9%-15%lower latency,and approximately 14%less computational expense compared to the PPSS benchmark framework.Additional tests,including confusion matrices,ROC and Precision-Recall curves,and ablation tests,confirm the interpretability and robustness of the defense.Tests for scalability also show consistent performance up to 500 clients,affirming appropriateness to reasonably large deployments.These results make Secured-FL a feasible,adversarially resilient FL paradigm with promising potential for application in smart cities,medicine,and other mission-critical IoT deployments.展开更多
A hybrid model combining Fully Non-Linear Potential Flow Theory(FNPT)based on the Finite Element Method(FEM)and the Unified Navier-Stokes equation,using the 3D Improved Meshless Local Petrov Galerkin method with Ranki...A hybrid model combining Fully Non-Linear Potential Flow Theory(FNPT)based on the Finite Element Method(FEM)and the Unified Navier-Stokes equation,using the 3D Improved Meshless Local Petrov Galerkin method with Rankine Source(IMLPG_R),is developed to study wave interactions with a porous layer.In previous studies,the above formulations are applied to wave interaction with fixed cylindrical structures.The present study extends this framework by integrating a unified governing equation within the hybrid modeling approach to capture the dynamics of wave interaction with porous media.The porous layers are employed to replicate the wave-dissipating behavior of the structure.A weak coupling strategy is implemented within a designated buffer zone,wherein field variables from the 2D Fully Nonlinear Potential Theory(FNPT)simulations are transferred to the 3D Improved Moving Least Squares-based Petrov-Galerkin(IMLPG_R)model at each time step.This domain decomposition significantly reduces computational cost compared to a full 3D simulation by partitioning the domain into two subregions:the FNPT domain representing the far-field without structures,and the IMLPG_R domain encompassing the porous region.The Unified Navier-Stokes formulation is extended by incorporating additional drag forces governed by Darcy’s law to model the resistance introduced by the porous medium.A stationary background node framework is utilized for interpolation by fluid particles at each time step to accommodate the porous representation.To enhance numerical stability and accuracy,particularly in the presence of sloping boundaries,the Particle Shifting Technique(PST)is integrated into the IMLPG_R model.This implementation involves a modified version of the PST algorithm,where key parameters such as the weight function,velocity ratio,and radius of influence are optimized for IMLPG_R.This is the first time the application of 3D IMLPG_R for porous structure has been reported.Further,the model is subsequently validated against experimental data.展开更多
The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-ti...The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.展开更多
基金Tianmin Tianyuan Boutique Vegetable Industry Technology Service Station(Grant No.2024120011003081)Development of Environmental Monitoring and Traceability System for Wuqing Agricultural Production Areas(Grant No.2024120011001866)。
文摘Tomato is a major economic crop worldwide,and diseases on tomato leaves can significantly reduce both yield and quality.Traditional manual inspection is inefficient and highly subjective,making it difficult to meet the requirements of early disease identification in complex natural environments.To address this issue,this study proposes an improved YOLO11-based model,YOLO-SPDNet(Scale Sequence Fusion,Position-Channel Attention,and Dual Enhancement Network).The model integrates the SEAM(Self-Ensembling Attention Mechanism)semantic enhancement module,the MLCA(Mixed Local Channel Attention)lightweight attention mechanism,and the SPA(Scale-Position-Detail Awareness)module composed of SSFF(Scale Sequence Feature Fusion),TFE(Triple Feature Encoding),and CPAM(Channel and Position Attention Mechanism).These enhancements strengthen fine-grained lesion detection while maintaining model lightweightness.Experimental results show that YOLO-SPDNet achieves an accuracy of 91.8%,a recall of 86.5%,and an mAP@0.5 of 90.6%on the test set,with a computational complexity of 12.5 GFLOPs.Furthermore,the model reaches a real-time inference speed of 987 FPS,making it suitable for deployment on mobile agricultural terminals and online monitoring systems.Comparative analysis and ablation studies further validate the reliability and practical applicability of the proposed model in complex natural scenes.
基金supported by the National Natural Science Foundation of China(Nos.81974355 and 82172524)Key Research and Development Program of Hubei Province(No.2021BEA161)+2 种基金National Innovation Platform Development Program(No.2020021105012440)Open Project Funding of the Hubei Key Laboratory of Big Data Intelligent Analysis and Application,Hubei University(No.2024BDIAA03)Free Innovation Preliminary Research Fund of Wuhan Union Hospital(No.2024XHYN047).
文摘Objective This study aimed to explore a novel method that integrates the segmentation guidance classification and the dif-fusion model augmentation to realize the automatic classification for tibial plateau fractures(TPFs).Methods YOLOv8n-cls was used to construct a baseline model on the data of 3781 patients from the Orthopedic Trauma Center of Wuhan Union Hospital.Additionally,a segmentation-guided classification approach was proposed.To enhance the dataset,a diffusion model was further demonstrated for data augmentation.Results The novel method that integrated the segmentation-guided classification and diffusion model augmentation sig-nificantly improved the accuracy and robustness of fracture classification.The average accuracy of classification for TPFs rose from 0.844 to 0.896.The comprehensive performance of the dual-stream model was also significantly enhanced after many rounds of training,with both the macro-area under the curve(AUC)and the micro-AUC increasing from 0.94 to 0.97.By utilizing diffusion model augmentation and segmentation map integration,the model demonstrated superior efficacy in identifying SchatzkerⅠ,achieving an accuracy of 0.880.It yielded an accuracy of 0.898 for SchatzkerⅡandⅢand 0.913 for SchatzkerⅣ;for SchatzkerⅤandⅥ,the accuracy was 0.887;and for intercondylar ridge fracture,the accuracy was 0.923.Conclusion The dual-stream attention-based classification network,which has been verified by many experiments,exhibited great potential in predicting the classification of TPFs.This method facilitates automatic TPF assessment and may assist surgeons in the rapid formulation of surgical plans.
基金This project has received funding from the Research Council of Lithuania(LMTLT),agreement No S-COV-20-4.
文摘The growing number of COVID-19 cases puts pressure on healthcare services and public institutions worldwide.The pandemic has brought much uncertainty to the global economy and the situation in general.Forecasting methods and modeling techniques are important tools for governments to manage critical situations caused by pandemics,which have negative impact on public health.The main purpose of this study is to obtain short-term forecasts of disease epidemiology that could be useful for policymakers and public institutions to make necessary short-term decisions.To evaluate the effectiveness of the proposed attention-based method combining certain data mining algorithms and the classical ARIMA model for short-term forecasts,data on the spread of the COVID-19 virus in Lithuania is used,the forecasts of epidemic dynamics were examined,and the results were presented in the study.Nevertheless,the approach presented might be applied to any country and other pandemic situations.The COVID-19 outbreak started at different times in different countries,hence some countries have a longer history of the disease with more historical data than others.The paper proposes a novel approach to data registration and machine learning-based analysis using data from attention-based countries for forecast validation to predict trends of the spread of COVID-19 and assess risks.
基金funded by Naif Arab University for Security Sciences under grant No.NAUSS-23-R11.
文摘In the current digital era,new technologies are becoming an essential part of our lives.Consequently,the number ofmalicious software ormalware attacks is rapidly growing.There is no doubt,themajority ofmalware attacks can be detected by most antivirus programs.However,such types of antivirus programs are one step behind malicious software.Due to these dilemmas,deep learning become popular in the detection and classification of malicious data.Therefore,researchers have significantly focused on finding solutions for malware attacks by analyzing malicious samples with the help of different techniques and models.In this research,we presented a lightweight attention-based novel deep Convolutional Neural Network(DNN-CNN)model for binary and multi-class malware classification,including benign,trojan horse,ransomware,and spyware.We applied the Principal Component Analysis(PCA)technique for feature extraction for binary classification.We used the Synthetic Minority Oversampling Technique(SMOTE)to handle the imbalanced data during multi-class classification.Our proposed attention-based malware detectionmodel is trained on the benchmarkmalware memory dataset named CIC-MalMem-2022.Theresults indicate that our model obtained high accuracy for binary and multi-class classification,99.5% and 97.9%,respectively.
基金supported by the National Natural Science Foundation of China under Grant Nos.62076117 and 62166026the Jiangxi Provincial Key Laboratory of Virtual Reality under Grant No.2024SSY03151.
文摘Dynamic sign language recognition holds significant importance, particularly with the application of deep learning to address its complexity. However, existing methods face several challenges. Firstly, recognizing dynamic sign language requires identifying keyframes that best represent the signs, and missing these keyframes reduces accuracy. Secondly, some methods do not focus enough on hand regions, which are small within the overall frame, leading to information loss. To address these challenges, we propose a novel Video Transformer Attention-based Network (VTAN) for dynamic sign language recognition. Our approach prioritizes informative frames and hand regions effectively. To tackle the first issue, we designed a keyframe extraction module enhanced by a convolutional autoencoder, which focuses on selecting information-rich frames and eliminating redundant ones from the video sequences. For the second issue, we developed a soft attention-based transformer module that emphasizes extracting features from hand regions, ensuring that the network pays more attention to hand information within sequences. This dual-focus approach improves effective dynamic sign language recognition by addressing the key challenges of identifying critical frames and emphasizing hand regions. Experimental results on two public benchmark datasets demonstrate the effectiveness of our network, outperforming most of the typical methods in sign language recognition tasks.
基金This research work is supported by Sichuan Science and Technology Program(Grant No.2022YFS0586)the National Key R&D Program of China(Grant No.2019YFC1509301)the National Natural Science Foundation of China(Grant No.61976046).
文摘Predicting the displacement of landslide is of utmost practical importance as the landslide can pose serious threats to both human life and property.However,traditional methods have the limitation of random selection in sliding window selection and seldom incorporate weather forecast data for displacement prediction,while a single structural model cannot handle input sequences of different lengths at the same time.In order to solve these limitations,in this study,a new approach is proposed that utilizes weather forecast data and incorporates the maximum information coefficient(MIC),long short-term memory network(LSTM),and attention mechanism to establish a teacher-student coupling model with parallel structure for short-term landslide displacement prediction.Through MIC,a suitable input sequence length is selected for the LSTM model.To investigate the influence of rainfall on landslides during different seasons,a parallel teacher-student coupling model is developed that is able to learn sequential information from various time series of different lengths.The teacher model learns sequence information from rainfall intensity time series while incorporating reliable short-term weather forecast data from platforms such as China Meteorological Administration(CMA)and Reliable Prognosis(https://rp5.ru)to improve the model’s expression capability,and the student model learns sequence information from other time series.An attention module is then designed to integrate different sequence information to derive a context vector,representing seasonal temporal attention mode.Finally,the predicted displacement is obtained through a linear layer.The proposed method demonstrates superior prediction accuracies,surpassing those of the support vector machine(SVM),LSTM,recurrent neural network(RNN),temporal convolutional network(TCN),and LSTM-Attention models.It achieves a mean absolute error(MAE)of 0.072 mm,root mean square error(RMSE)of 0.096 mm,and pearson correlation coefficients(PCCS)of 0.85.Additionally,it exhibits enhanced prediction stability and interpretability,rendering it an indispensable tool for landslide disaster prevention and mitigation.
文摘Model evaluation using benchmark datasets is an important method to measure the capability of large language models(LLMs)in specific domains,and it is mainly used to assess the knowledge and reasoning abilities of LLMs.Therefore,in order to better assess the capability of LLMs in the agricultural domain,Agri-Eval was proposed as a benchmark for assessing the knowledge and reasoning ability of LLMs in agriculture.The assessment dataset used in Agri-Eval covered seven major disciplines in the agricultural domain:crop science,horticulture,plant protection,animal husbandry,forest science,aquaculture science,and grass science,and contained a total of 2283 questions.Among domestic general-purpose LLMs,DeepSeek R1 performed best with an accuracy rate of 75.49%.In the realm of international general-purpose LLMs,Gemini 2.0 pro exp 0205 standed out as the top performer,achieving an accuracy rate of 74.28%.As an LLMs in agriculture vertical,Shennong V2.0 outperformed all the LLMs in China,and the answer accuracy rate of agricultural knowledge exceeded that of all the existing general-purpose LLMs.The launch of Agri-Eval helped the LLM developers to comprehensively evaluate the model's capability in the field of agriculture through a variety of tasks and tests to promote the development of the LLMs in the field of agriculture.
基金Supported by the National Natural Science Foundation of China(12261018)Universities Key Laboratory of Mathematical Modeling and Data Mining in Guizhou Province(2023013)。
文摘In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asymptotic stability of the trivial solution and the positive periodic solution.Finally,numerical simulations are presented to validate our results.Our results show that age-selective harvesting is more conducive to sustainable population survival than non-age-selective harvesting.
基金the World Climate Research Programme(WCRP),Climate Variability and Predictability(CLIVAR),and Global Energy and Water Exchanges(GEWEX)for facilitating the coordination of African monsoon researchsupport from the Center for Earth System Modeling,Analysis,and Data at the Pennsylvania State Universitythe support of the Office of Science of the U.S.Department of Energy Biological and Environmental Research as part of the Regional&Global Model Analysis(RGMA)program area。
文摘In recent years,there has been an increasing need for climate information across diverse sectors of society.This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change.Likewise,this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa.By leveraging a large volume of climate model outputs,numerous studies have investigated the model representation of African precipitation as well as underlying physical processes.These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies.This paper provides a review of the progress in precipitation simulation overAfrica in state-of-the-science climate models and discusses the major issues and challenges that remain.
基金Project supported by the National Natural Science Foundation of China(Nos.12372214 and U2341231)。
文摘The Reynolds-averaged Navier-Stokes(RANS)technique enables critical engineering predictions and is widely adopted.However,since this iterative computation relies on the fixed-point iteration,it may converge to unexpected non-physical phase points in practice.We conduct an analysis on the phase-space characteristics and the fixed-point theory underlying the k-ε turbulence model,and employ the classical Kolmogorov flow as a framework,leveraging its direct numerical simulation(DNS)data to construct a one-dimensional(1D)system under periodic/fixed boundary conditions.The RANS results demonstrate that under periodic boundary conditions,the k-ε model exhibits only a unique trivial fixed point,with asymptotes capturing the phase portraits.The stability of this trivial fixed point is determined by a mathematically derived stability phase diagram,indicating the fact that the k-ε model will never converge to correct values under periodic conditions.In contrast,under fixed boundary conditions,the model can yield a stable non-trivial fixed point.The evolutionary mechanisms and their relationship with boundary condition settings systematically explain the inherent limitations of the k-ε model,i.e.,its deficiency in computing the flow field under periodic boundary conditions and sensitivity to boundary-value specifications under fixed boundary conditions.These conclusions are finally validated with the open-source code OpenFOAM.
文摘Utilizing finite element analysis,the ballistic protection provided by a combination of perforated D-shaped and base armor plates,collectively referred to as radiator armor,is evaluated.ANSYS Explicit Dynamics is employed to simulate the ballistic impact of 7.62 mm armor-piercing projectiles on Aluminum AA5083-H116 and Steel Secure 500 armors,focusing on the evaluation of material deformation and penetration resistance at varying impact points.While the D-shaped armor plate is penetrated by the armor-piercing projectiles,the combination of the perforated D-shaped and base armor plates successfully halts penetration.A numerical model based on the finite element method is developed using software such as SolidWorks and ANSYS to analyze the interaction between radiator armor and bullet.The perforated design of radiator armor is to maintain airflow for radiator function,with hole sizes smaller than the bullet core diameter to protect radiator assemblies.Predictions are made regarding the brittle fracture resulting from the projectile core′s bending due to asymmetric impact,and the resulting fragments failed to penetrate the perforated base armor plate.Craters are formed on the surface of the perforated D-shaped armor plate due to the impact of projectile fragments.The numerical model accurately predicts hole growth and projectile penetration upon impact with the armor,demonstrating effective protection of the radiator assemblies by the radiator armor.
基金supported by the National Key R&D Program of China[2022YFF0902703]the State Administration for Market Regulation Science and Technology Plan Project(2024MK033).
文摘Recommendation systems are key to boosting user engagement,satisfaction,and retention,particularly on media platforms where personalized content is vital.Sequential recommendation systems learn from user-item interactions to predict future items of interest.However,many current methods rely on unique user and item IDs,limiting their ability to represent users and items effectively,especially in zero-shot learning scenarios where training data is scarce.With the rapid development of Large Language Models(LLMs),researchers are exploring their potential to enhance recommendation systems.However,there is a semantic gap between the linguistic semantics of LLMs and the collaborative semantics of recommendation systems,where items are typically indexed by IDs.Moreover,most research focuses on item representations,neglecting personalized user modeling.To address these issues,we propose a sequential recommendation framework using LLMs,called CIT-Rec,a model that integrates Collaborative semantics for user representation and Image and Text information for item representation to enhance Recommendations.Specifically,by aligning intuitive image information with text containing semantic features,we can more accurately represent items,improving item representation quality.We focus not only on item representations but also on user representations.To more precisely capture users’personalized preferences,we use traditional sequential recommendation models to train on users’historical interaction data,effectively capturing behavioral patterns.Finally,by combining LLMs and traditional sequential recommendation models,we allow the LLM to understand linguistic semantics while capturing collaborative semantics.Extensive evaluations on real-world datasets show that our model outperforms baseline methods,effectively combining user interaction history with item visual and textual modalities to provide personalized recommendations.
基金supported by the CAS Pioneer Hundred Talents Program and Second Tibetan Plateau Scientific Expedition Research Program(2019QZKK0708)as well as the Basic Research Program of Qinghai Province:Lithospheric Geomagnetic Field of the Qinghai-Tibet Plateau and the Relationship with Strong Earthquakes(2021-ZJ-969Q).
文摘The National Geophysical Data Center(NGDC)of the United States has collected aeromagnetic data for input into a series of geomagnetic models to improve model resolution;however,in the Tibetan Plateau region,ground-based observations remain insufficient to clearly reflect the characteristics of the region’s lithospheric magnetism.In this study,we evaluate the lithospheric magnetism of the Tibetan Plateau by using a 3D surface spline model based on observations from>200 newly constructed repeat stations(portable stations)to determine the spatial distribution of plateau geomagnetism,as well as its correlation with the tectonic features of the region.We analyze the relationships between M≥5 earthquakes and lithospheric magnetic field variations on the Tibetan Plateau and identify regions susceptible to strong earthquakes.We compare the geomagnetic results with those from an enhanced magnetic model(EMM2015)developed by the NGDC and provide insights into improving lithospheric magnetic field calculations in the Tibetan Plateau region.Further research reveals that these magnetic anomalies exhibit distinct differences from the magnetic-seismic correlation mechanisms observed in other tectonic settings;here,they are governed primarily by the combined effects of compressional magnetism,thermal magnetism,and deep thermal stress.This study provides new evidence of geomagnetic anomalies on the Tibetan Plateau,interprets them physically,and demonstrates their potential for identifying seismic hazard zones on the Plateau.
基金supported in part by the National Key Research and Development Program of China(2021YFB2900501)in part by the Shaanxi Science and Technology Innovation Team(2023-CX-TD-03)+3 种基金in part by the Science and Technology Program of Shaanxi Province(2021GXLH-Z-038)in part by the Natural Science Foundation of Hunan Province(2023JJ40607 and 2023JJ50045)in part by the Scientific Research Foundation of Hunan Provincial Education Department(23B0713 and 24B0603)in part by the National Natural Science Foundation of China(62401371,62101275,and 62372070).
文摘(Quasi-)closed-form results for the statistical properties of unmanned aerial vehicle(UAV)airto-ground channels are derived for the first time using a novel spatial-vector-based method from a threedimensional(3-D)arbitrary-elevation one-cylinder model.The derived results include a closed-form expression for the space-time correlation function and some quasi-closed-form ones for the space-Doppler power spectrum density,the level crossing rate,and the average fading duration,which are shown to be the generalizations of those previously obtained from the two-dimensional(2-D)one-ring model and the 3-D low-elevation one-cylinder model for terrestrial mobile-to-mobile channels.The close agreements between the theoretical results and the simulations as well as the measurements validate the utility of the derived channel statistics.Based on the derived expressions,the impacts of some parameters on the channel characteristics are investigated in an effective,efficient,and explicable way,which leads to a general guideline on the manual parameter estimation from the measurement description.
基金supported by Special major projects for research and development of Henan Provincial(Science and Technology Research Project)(No.252102321104)Humanities and Social Sciences Youth Foundation,Ministry of Education(24YJCZH410)。
文摘Effective management of mining areas in the Luo River Basin,located in the eastern Qinling Mountains,is vital for the integrated protection and restoration needed to support the high-quality development of the Yellow River Basin.Using the‘cupball'model,this study analyzes the limiting factors and restoration characteristics across four mining areas and proposes a conceptual model for selecting appropriate restoration approaches.A second conceptual model is then introduced to address regional development needs,incorporating ecological conservation,safety protection,and people's wellbeing.The applicability of the integrated model selection framework is demonstrated through a case study on the south bank of the Qinglongjian River.The results indicate that:(1)The key limiting factors are similar across cases,but the degree of ecological degradation varies.(2)Mildly degraded areas are represented by a shallower and narrower‘cup',where natural recovery is the preferred approach,whereas moderately and severely degraded systems call for assisted regeneration and ecological reconstruction,respectively.(3)When the restoration models determined based on limiting factors and development needs are consistent,the model is directly applicable;if they differ,the option involving less artificial intervention is preferred;(4)Monitoring of the restored mining area on the Qinglongjian River's south bank confirms significant improvements in soil erosion control and vegetation coverage.This study provides a transferable methodology for balancing resource extraction with ecosystem conservation,offering practical insights for other ecologically vulnerable mining regions.
文摘Climate model prediction has been improved by enhancing model resolution as well as the implementation of sophisticated physical parameterization and refinement of data assimilation systems[section 6.1 in Wang et al.(2025)].In relation to seasonal forecasting and climate projection in the East Asian summer monsoon season,proper simulation of the seasonal migration of rain bands by models is a challenging and limiting factor[section 7.1 in Wang et al.(2025)].
基金support from the National Natural Science Foundation of China(Grant Nos.42277161 and 42230709).
文摘In rock engineering,natural cracks in rock masses subjected to external loads tend to initiate and propagate,leading to potential safety hazards.To investigate the effect of cracking behavior on the mechanical properties of rocks,the cracking processes of pre-cracked rocks have been extensively studied using numerical modeling methods.The peridynamics(PD)exhibits advantages over other numerical methods due to the absence of the requirements for remeshing and external crack growth criterion.However,for modeling pre-cracked rock cracking processes under impact,current PD implementations lack generally applicable rock constitutive models and impact contact models,which leads to difficulties in determining rock material parameters and efficiently calculating impact loads.This paper proposes a non-ordinary state-based peridynamics(NOSBPD)modeling method integrating the Drucker-Prager(DP)plasticity model and an efficient contact model to address the above problems.In the proposed method,the Drucker-Prager plasticity model is integrated into the NOSBPD,thereby equipping NOSBPD with the capability to accurately characterize the nonlinear stress-strain relationship inherent in rocks.An efficient contact model between particles and meshes is designed to calculate the impact loads,which is essentially a coupling method of PD with the finite element method(FEM).The effectiveness of the proposed NOSBPD modeling method is verified by comparison with other numerical methods and experiments.Experimental results indicate that the proposed method can effectively and accurately predict the 3D cracking processes of pre-cracked cracks under impact loading,and the maximum principal stress is the key driver behind wing crack formation in pre-cracked rocks.
文摘Federated Learning(FL)enables joint training over distributed devices without data exchange but is highly vulnerable to attacks by adversaries in the form of model poisoning and malicious update injection.This work proposes Secured-FL,a blockchain-based defensive framework that combines smart contract-based authentication,clustering-driven outlier elimination,and dynamic threshold adjustment to defend against adversarial attacks.The framework was implemented on a private Ethereum network with a Proof-of-Authority consensus algorithm to ensure tamper-resistant and auditable model updates.Large-scale simulation on the Cyber Data dataset,under up to 50%malicious client settings,demonstrates Secured-FL achieves 6%-12%higher accuracy,9%-15%lower latency,and approximately 14%less computational expense compared to the PPSS benchmark framework.Additional tests,including confusion matrices,ROC and Precision-Recall curves,and ablation tests,confirm the interpretability and robustness of the defense.Tests for scalability also show consistent performance up to 500 clients,affirming appropriateness to reasonably large deployments.These results make Secured-FL a feasible,adversarially resilient FL paradigm with promising potential for application in smart cities,medicine,and other mission-critical IoT deployments.
基金funded by Prime Minister’s Research Fellowship(PMRF),grant number SB22230924OEPMRF008608.
文摘A hybrid model combining Fully Non-Linear Potential Flow Theory(FNPT)based on the Finite Element Method(FEM)and the Unified Navier-Stokes equation,using the 3D Improved Meshless Local Petrov Galerkin method with Rankine Source(IMLPG_R),is developed to study wave interactions with a porous layer.In previous studies,the above formulations are applied to wave interaction with fixed cylindrical structures.The present study extends this framework by integrating a unified governing equation within the hybrid modeling approach to capture the dynamics of wave interaction with porous media.The porous layers are employed to replicate the wave-dissipating behavior of the structure.A weak coupling strategy is implemented within a designated buffer zone,wherein field variables from the 2D Fully Nonlinear Potential Theory(FNPT)simulations are transferred to the 3D Improved Moving Least Squares-based Petrov-Galerkin(IMLPG_R)model at each time step.This domain decomposition significantly reduces computational cost compared to a full 3D simulation by partitioning the domain into two subregions:the FNPT domain representing the far-field without structures,and the IMLPG_R domain encompassing the porous region.The Unified Navier-Stokes formulation is extended by incorporating additional drag forces governed by Darcy’s law to model the resistance introduced by the porous medium.A stationary background node framework is utilized for interpolation by fluid particles at each time step to accommodate the porous representation.To enhance numerical stability and accuracy,particularly in the presence of sloping boundaries,the Particle Shifting Technique(PST)is integrated into the IMLPG_R model.This implementation involves a modified version of the PST algorithm,where key parameters such as the weight function,velocity ratio,and radius of influence are optimized for IMLPG_R.This is the first time the application of 3D IMLPG_R for porous structure has been reported.Further,the model is subsequently validated against experimental data.
基金supported by the Advanced Materials-National Science and Technology Major Project(Grant No.2025ZD0618401)the National Natural Science Foundation of China(Grant No.12504285)+1 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20250472)NFSG grant from BITS-Pilani,Dubai campus。
文摘The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.
