The S38C railway axle undergoes induction hardening,resulting in a gradient-distributed microstructure and mechanical properties.The accurate identification of gradient-distributed plastic parameters for the S38C axle...The S38C railway axle undergoes induction hardening,resulting in a gradient-distributed microstructure and mechanical properties.The accurate identification of gradient-distributed plastic parameters for the S38C axle remains a challenging task.To tackle this challenge,the present study proposes a novel approach for identifying the gradient-distributed plastic parameters for the S38C axle by integrating nano-indentation techniques with the machine learning method.Firstly,nano-indentation tests are conducted along the radial direction of the S38C axle to obtain the gradient-distributed load-displacement curves,nano-hardness,and elastic modulus.Subsequently,the dimensionless analysis is performed to obtain the representative stress,strain,and yield stress from load-displacement curves.These parameters are then incorporated into the machine learning method as physical information to identify the gradient-distributed plastic parameters of the S38C axle.The results indicate that the proposed method based on the physics-informed neural network and multi-fidelity neural network successfully identifies the gradient-distributed plastic parameters of the S38C axles and demonstrates superior prediction accuracy and generalization compared with the purely data-driven machine learning method.展开更多
Using in-situ microstructure observations from 2010 to 2018,this study investigates the performance and generalization of machine learning models in parameterizing turbulent mixing in the northwestern South China Sea....Using in-situ microstructure observations from 2010 to 2018,this study investigates the performance and generalization of machine learning models in parameterizing turbulent mixing in the northwestern South China Sea.The results show that the data-driven extreme gradient boosting(XGBoost)performs better than the other four models,i.e.,random forest,neural network,linear regression and support vector machine regression.In order to further improve the generalization of machine learning-based parameterization method,we propose a physics-informed machine learning(PIML)that couples the MacKinnon-Gregg model(known as the MG model)and Osborn’s formula to the XGBoost model.The correlation coefficient(r)and root mean square error(RMSE)between the estimated and observed 1g(ε)(whereεdenotes the turbulent kinetic energy dissipation rate)from the PIML are improved by 14%and 16%,respectively.The results also show that PIML effectively improves the generalization of the XGBoost-based parameterization method,enhancing r and RMSE by 35%and 75%,respectively.展开更多
The accurate prediction of peak overpressure of explosion shockwaves is significant in fields such as explosion hazard assessment and structural protection, where explosion shockwaves serve as typical destructive elem...The accurate prediction of peak overpressure of explosion shockwaves is significant in fields such as explosion hazard assessment and structural protection, where explosion shockwaves serve as typical destructive elements. Aiming at the problem of insufficient accuracy of the existing physical models for predicting the peak overpressure of ground reflected waves, two physics-informed machine learning models are constructed. The results demonstrate that the machine learning models, which incorporate physical information by predicting the deviation between the physical model and actual values and adding a physical loss term in the loss function, can accurately predict both the training and out-oftraining dataset. Compared to existing physical models, the average relative error in the predicted training domain is reduced from 17.459%-48.588% to 2%, and the proportion of average relative error less than 20% increased from 0% to 59.4% to more than 99%. In addition, the relative average error outside the prediction training set range is reduced from 14.496%-29.389% to 5%, and the proportion of relative average error less than 20% increased from 0% to 71.39% to more than 99%. The inclusion of a physical loss term enforcing monotonicity in the loss function effectively improves the extrapolation performance of machine learning. The findings of this study provide valuable reference for explosion hazard assessment and anti-explosion structural design in various fields.展开更多
The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating condi...The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating conditions,and limited measured signals.Although data-driven methods are perceived as a promising solution,they ignore intrinsic battery physics,leading to compromised accuracy,low efficiency,and low interpretability.In response,this study integrates domain knowledge into deep learning to enhance the RUL prediction performance.We demonstrate accurate RUL prediction using only a single charging curve.First,a generalisable physics-based model is developed to extract ageing-correlated parameters that can describe and explain battery degradation from battery charging data.The parameters inform a deep neural network(DNN)to predict RUL with high accuracy and efficiency.The trained model is validated under 3 types of batteries working under 7 conditions,considering fully charged and partially charged cases.Using data from one cycle only,the proposed method achieves a root mean squared error(RMSE)of 11.42 cycles and a mean absolute relative error(MARE)of 3.19%on average,which are over45%and 44%lower compared to the two state-of-the-art data-driven methods,respectively.Besides its accuracy,the proposed method also outperforms existing methods in terms of efficiency,input burden,and robustness.The inherent relationship between the model parameters and the battery degradation mechanism is further revealed,substantiating the intrinsic superiority of the proposed method.展开更多
Landslide susceptibility mapping is a crucial tool for disaster prevention and management.The performance of conventional data-driven model is greatly influenced by the quality of the samples data.The random selection...Landslide susceptibility mapping is a crucial tool for disaster prevention and management.The performance of conventional data-driven model is greatly influenced by the quality of the samples data.The random selection of negative samples results in the lack of interpretability throughout the assessment process.To address this limitation and construct a high-quality negative samples database,this study introduces a physics-informed machine learning approach,combining the random forest model with Scoops 3D,to optimize the negative samples selection strategy and assess the landslide susceptibility of the study area.The Scoops 3D is employed to determine the factor of safety value leveraging Bishop’s simplified method.Instead of conventional random selection,negative samples are extracted from the areas with a high factor of safety value.Subsequently,the results of conventional random forest model and physics-informed data-driven model are analyzed and discussed,focusing on model performance and prediction uncertainty.In comparison to conventional methods,the physics-informed model,set with a safety area threshold of 3,demonstrates a noteworthy improvement in the mean AUC value by 36.7%,coupled with a reduced prediction uncertainty.It is evident that the determination of the safety area threshold exerts an impact on both prediction uncertainty and model performance.展开更多
Pressure swing adsorption(PSA)modeling remains a challenging task since it exhibits strong dynamic and cyclic behavior.This study presents a systematic physics-informed machine learning method that integrates transfer...Pressure swing adsorption(PSA)modeling remains a challenging task since it exhibits strong dynamic and cyclic behavior.This study presents a systematic physics-informed machine learning method that integrates transfer learning and labeled data to construct a spatiotemporal model of the PSA process.To approximate the latent solutions of partial differential equations(PDEs)in the specific steps of pressurization,adsorption,heavy reflux,counter-current depressurization,and light reflux,the system's network representation is decomposed into five lightweight sub-networks.On this basis,we propose a parameter-based transfer learning(TL)combined with domain decomposition to address the long-term integration of periodic PDEs and expedite the network training process.Moreover,to tackle challenges related to sharp adsorption fronts,our method allows for the inclusion of a specified amount of labeled data at the boundaries and/or within the system in the loss function.The results show that the proposed method closely matches the outcomes achieved through the conventional numerical method,effectively simulating all steps and cyclic behavior within the PSA processes.展开更多
The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combi...The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combines numerical simulation with machine learning techniques to explore this issue.It presents a summary of special-shaped tunnel geometries and introduces a shape coefficient.Through the finite element software,Plaxis3D,the study simulates six key parameters—shape coefficient,burial depth ratio,tunnel’s longest horizontal length,internal friction angle,cohesion,and soil submerged bulk density—that impact uplift resistance across different conditions.Employing XGBoost and ANN methods,the feature importance of each parameter was analyzed based on the numerical simulation results.The findings demonstrate that a tunnel shape more closely resembling a circle leads to reduced uplift resistance in the overlying soil,whereas other parameters exhibit the contrary effects.Furthermore,the study reveals a diminishing trend in the feature importance of buried depth ratio,internal friction angle,tunnel longest horizontal length,cohesion,soil submerged bulk density,and shape coefficient in influencing uplift resistance.展开更多
Countries around the world have been making efforts to reduce pollutant emissions. However, the response of global black carbon(BC) aging to emission changes remains unclear. Using the Community Atmosphere Model versi...Countries around the world have been making efforts to reduce pollutant emissions. However, the response of global black carbon(BC) aging to emission changes remains unclear. Using the Community Atmosphere Model version 6 with a machine-learning-integrated four-mode version of the Modal Aerosol Module, we quantify global BC aging responses to emission reductions for 2011–2018 and for 2050 and 2100 under carbon neutrality. During 2011–18, global trends in BC aging degree(mass ratio of coatings to BC, R_(BC)) exhibited marked regional disparities, with a significant increase in China(5.4% yr^(-1)), which contrasts with minimal changes in the USA, Europe, and India. The divergence is attributed to opposing trends in secondary organic aerosol(SOA) and sulfate coatings, driven by regional changes in the emission ratios of corresponding coating precursors to BC(volatile organic compounds-VOCs/BC and SO_(2)/BC). Projections under carbon neutrality reveal that R_(BC) will increase globally by 47%(118%) in 2050(2100), with strong convergent increases expected across major source regions. The R_(BC) increase, primarily driven by enhanced SOA coatings due to sharper BC reductions relative to VOCs, will enhance the global BC mass absorption cross-section(MAC) by 11%(17%) in 2050(2100).Consequently, although the global BC burden will decline sharply by 60%(76%), the enhanced MAC partially offsets the magnitude of the decline in the BC direct radiative effect, resulting in the moderation of global BC DRE decreases to 88%(92%) of the BC burden reductions in 2050(2100). This study highlights the globally enhanced BC aging and light absorption capacity under carbon neutrality, thereby partly offsetting the impact of BC direct emission reductions on future changes in BC radiative effects globally.展开更多
The polarity of solvents plays a critical role in various research applications,particularly in their solubilities.Polarity is conveniently characterized by the Kamlet-Taft parameters that is,the hydrogen bonding acid...The polarity of solvents plays a critical role in various research applications,particularly in their solubilities.Polarity is conveniently characterized by the Kamlet-Taft parameters that is,the hydrogen bonding acidity(α),the basicity(β),and the polarizability(π^(*)).Obtaining Kamlet-Taft parameters is very important for designer solvents,namely ionic liquids(ILs)and deep eutectic solvents(DESs).However,given the unlimited theoretical number of combinations of ionic pairs in ILs and hydrogen-bond donor/acceptor pairs in DESs,experimental determination of their Kamlet-Taft parameters is impractical.To address this,the present study developed two different machine learning(ML)algorithms to predict Kamlet-Taft parameters for designer solvents using quantum chemically derived input features.The ML models developed in the present study showed accurate predictions with high determination coefficient(R^(2))and low root mean square error(RMSE)values.Further,in the context of present interest in the circular bioeconomy,the relationship between the basicities and acidities of designer solvents and their ability to dissolve lignin and carbon dioxide(CO_(2))is discussed.Our method thus guides the design of effective solvents with optimal Kamlet-Taft parameter values dissolving and converting biomass and CO_(2)into valuable chemicals.展开更多
Cyclohexene is an important raw material in the production of nylon.Selective hydrogenation of benzene is a key method for preparing cyclohexene.However,the Ru catalysts used in current industrial processes still face...Cyclohexene is an important raw material in the production of nylon.Selective hydrogenation of benzene is a key method for preparing cyclohexene.However,the Ru catalysts used in current industrial processes still face challenges,including high metal usage,high process costs,and low cyclohexene yield.This study utilizes existing literature data combined with machine learning methods to analyze the factors influencing benzene conversion,cyclohexene selectivity,and yield in the benzene hydrogenation to cyclohexene reaction.It constructs predictive models based on XGBoost and Random Forest algorithms.After analysis,it was found that reaction time,Ru content,and space velocity are key factors influencing cyclohexene yield,selectivity,and benzene conversion.Shapley Additive Explanations(SHAP)analysis and feature importance analysis further revealed the contribution of each variable to the reaction outcomes.Additionally,we randomly generated one million variable combinations using the Dirichlet distribution to attempt to predict high-yield catalyst formulations.This paper provides new insights into the application of machine learning in heterogeneous catalysis and offers some reference for further research.展开更多
Single-phase ordered body-centered cubic or B2 multi-principal element intermetallics(MPEIs)have garnered significant attention due to their exceptional mechanical and functional properties.However,their discovery in ...Single-phase ordered body-centered cubic or B2 multi-principal element intermetallics(MPEIs)have garnered significant attention due to their exceptional mechanical and functional properties.However,their discovery in complex compositional spaces is challenging due to the lack of high-dimensional phase diagrams and the inefficiency of traditional trial-and-error methods.In this study,we developed a physics-informed machine learning(ML)framework that integrates a conditional variational autoencoder(CVAE)with an artificial neural network(ANN).This approach effectively addresses the challenges of data limitation and imbalance,enabling the high-throughput generation of B2 MPEIs.Using this framework,we successfully identified a wide range of B2 complex alloys,spanning quaternary to senary systems,with superior mechanical performance.This work not only demonstrates a significant advancement in the discovery of B2 MPEIs but also provides an accelerated pathway for their design and development.展开更多
The growing use of lithium-ion batteries in electric transportation and grid-scale storage systems has intensified the need for accurate and highly generalizable state-of-health(SOH)estimation.Conventional approaches ...The growing use of lithium-ion batteries in electric transportation and grid-scale storage systems has intensified the need for accurate and highly generalizable state-of-health(SOH)estimation.Conventional approaches often suffer from reduced accuracy under dynamically uncertain state-of-charge(SOC)operating ranges and heterogeneous aging stresses.This study presents a unified SOH estimation framework that integrates physics-informed modeling,subspace identification,and Transformer-based learning.A reduced-order model is derived from simplified electrochemical dynamics,providing an interpretable and computationally efficient representation of battery behavior.Subspace identification across a wide SOC and SOH range yields degradation-sensitive features,which the Transformer uses to capture long-range aging dynamics via multi-head self-attention.Experiments on LiFePO4 cells under joint-cell training show consistently accurate SOH estimation,with a maximum error of 1.39%,demonstrating the framework’s effectiveness in decoupling SOC and SOH effects.In cross-cell validation,where training and validation are performed on different cells,the model maintains a maximum error of 2.06%,confirming strong generalization to unseen aging trajectories.Comparative experiments on LiFePO_(4)and public LiCoO_(2)datasets confirm the framework’s cross-chemistry applicability.By extracting low-dimensional,physically interpretable features via subspace identification,the framework significantly reduces training cost while maintaining high SOH estimation accuracy,outperforming conventional data-driven models lacking physical guidance.展开更多
Latest digital advancements have intensified the necessity for adaptive,data-driven and socially-centered learning ecosystems.This paper presents the formulation of a cross-platform,innovative,gamified and personalize...Latest digital advancements have intensified the necessity for adaptive,data-driven and socially-centered learning ecosystems.This paper presents the formulation of a cross-platform,innovative,gamified and personalized Learning Ecosystem,which integrates 3D/VR environments,as well as machine learning algorithms,and business intelligence frameworks to enhance learner-centered education and inferenced decision-making.This Learning System makes use of immersive,analytically assessed virtual learning spaces,therefore facilitating real-time monitoring of not just learning performance,but also overall engagement and behavioral patterns,via a comprehensive set of sustainability-oriented ESG-aligned Key Performance Indicators(KPIs).Machine learning models support predictive analysis,personalized feedback,and hybrid recommendation mechanisms,whilst dedicated dashboards translate complex educational data into actionable insights for all Use Cases of the System(Educational Institutions,Educators and Learners).Additionally,the presented Learning System introduces a structured Mentoring and Consulting Subsystem,thence reinforcing human-centered guidance alongside automated intelligence.The Platform’s modular architecture and simulation-centered evaluation approach actively support personalized,and continuously optimized learning pathways.Thence,it exemplifies a mature,adaptive Learning Ecosystem,supporting immersive technologies,analytics,and pedagogical support,hence,contributing to contemporary digital learning innovation and sociotechnical transformation in education.展开更多
As urbanization continues to accelerate,the challenges associated with managing transportation in metropolitan areas become increasingly complex.The surge in population density contributes to traffic congestion,impact...As urbanization continues to accelerate,the challenges associated with managing transportation in metropolitan areas become increasingly complex.The surge in population density contributes to traffic congestion,impacting travel experiences and posing safety risks.Smart urban transportation management emerges as a strategic solution,conceptualized here as a multidimensional big data problem.The success of this strategy hinges on the effective collection of information from diverse,extensive,and heterogeneous data sources,necessitating the implementation of full⁃stack Information and Communication Technology(ICT)solutions.The main idea of the work is to investigate the current technologies of Intelligent Transportation Systems(ITS)and enhance the safety of urban transportation systems.Machine learning models,trained on historical data,can predict traffic congestion,allowing for the implementation of preventive measures.Deep learning architectures,with their ability to handle complex data representations,further refine traffic predictions,contributing to more accurate and dynamic transportation management.The background of this research underscores the challenges posed by traffic congestion in metropolitan areas and emphasizes the need for advanced technological solutions.By integrating GPS and GIS technologies with machine learning algorithms,this work aims to pay attention to the development of intelligent transportation systems that not only address current challenges but also pave the way for future advancements in urban transportation management.展开更多
Accurate prediction of rockburst intensity levels is crucial for ensuring the safety of deep hard rock engineering construction.This paper introduced an expert system for rockburst intensity level prediction that empl...Accurate prediction of rockburst intensity levels is crucial for ensuring the safety of deep hard rock engineering construction.This paper introduced an expert system for rockburst intensity level prediction that employs machine learning algorithms as the basis for its inference rules.The system comprises four modules:a database,a repository,an inference engine,and an interpreter.A database containing 1114 rockburst cases was used to construct 357 datasets that serve as the repository for the expert system.Additionally,19 types of machine learning algorithms were used to establish 6783 micro-models to construct cognitive rules within the inference engine.By integrating probability theory and marginal analysis,a fuzzy scoring method based on the SoftMax function was developed and applied to the interpreter for rockburst intensity level prediction,effectively restoring the continuity of rockburst characteristics.The research results indicate that ensemble algorithms based on decision trees are more effective in capturing the characteristics of rockburst.Key factors for accurate prediction of rockburst intensity include uniaxial compressive strength,elastic energy index,the maximum principal stress,tangential stress,and their composite indicators.The accuracy of the proposed rockburst intensity level prediction expert system was verified using 20 engineering rockburst cases,with predictions aligning closely with the actual rockburst intensity levels.展开更多
With the proliferation of Internet of Things(IoT)devices,securing these interconnected systems against cyberattacks has become a critical challenge.Traditional security paradigms often fail to cope with the scale and ...With the proliferation of Internet of Things(IoT)devices,securing these interconnected systems against cyberattacks has become a critical challenge.Traditional security paradigms often fail to cope with the scale and diversity of IoT network traffic.This paper presents a comparative benchmark of classic machine learning(ML)and state-of-the-art deep learning(DL)algorithms for IoT intrusion detection.Our methodology employs a twophased approach:a preliminary pilot study using a custom-generated dataset to establish baselines,followed by a comprehensive evaluation on the large-scale CICIoTDataset2023.We benchmarked algorithms including Random Forest,XGBoost,CNN,and StackedLSTM.The results indicate that while top-performingmodels frombothcategories achieve over 99%classification accuracy,this metric masks a crucial performance trade-off.We demonstrate that treebased ML ensembles exhibit superior precision(91%)in identifying benign traffic,making them effective at reducing false positives.Conversely,DL models demonstrate superior recall(96%),making them better suited for minimizing the interruption of legitimate traffic.We conclude that the selection of an optimal model is not merely a matter of maximizing accuracy but is a strategic choice dependent on the specific security priority either minimizing false alarms or ensuring service availability.Thiswork provides a practical framework for deploying context-aware security solutions in diverse IoT environments.展开更多
Accurate retrieval of atmospheric vertical profiles is critical for improving weather prediction and climate monitoring.However,the complexity of atmospheric processes in cloudy regions poses challenges compared to th...Accurate retrieval of atmospheric vertical profiles is critical for improving weather prediction and climate monitoring.However,the complexity of atmospheric processes in cloudy regions poses challenges compared to those of clear sky scenarios.This study presents a novel framework that integrates Bayesian optimization and machine learning approaches to retrieve atmospheric vertical profiles—including temperature,humidity,ozone concentration,cloud fraction,ice water content(IWC),and liquid water content(LWC)—from hyperspectral infrared observations.Specifically,a Bayesian method was used to refine ERA5 reanalysis data by minimizing brightness temperature(BT)discrepancies against FY-4B Geostationary Interferometric Infrared Sounder(GIIRS)observations,generating a high-quality profile database(~2.8 million profiles)across diverse weather systems.The optimized profiles improve radiative consistency,reducing BT biases from>40 K to<10 K in cloudy regions.To further overcome the limitations of the Bayesian method,we developed a Transformer-Resnet hybrid model(TERNet),which achieved superior performance with RMSE values of 1.61 K(temperature),5.77%(humidity),and 2.25×10^(–6)/6.09×10^(–6)kg kg^(–1)(IWC/LWC)across the entire vertical levels in all-sky conditions.The TERNet outperforms both ERA5 in cloud parameter retrieval and the GIIRS L2 product in thermodynamic profiling.Independent verification with radiosonde and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations(CALIPSO)datasets confirms the framework's reliability across various meteorological regimes.This work demonstrates the capability of combining physics-informed Bayesian methods with data-driven machine learning to fully exploit hyperspectral IR data.展开更多
Nasopharyngeal carcinoma(NPC)is a malignant tumor prevalent in southern China and Southeast Asia,where its early detection is crucial for improving patient prognosis and reducing mortality rates.However,existing scree...Nasopharyngeal carcinoma(NPC)is a malignant tumor prevalent in southern China and Southeast Asia,where its early detection is crucial for improving patient prognosis and reducing mortality rates.However,existing screening methods suffer from limitations in accuracy and accessibility,hindering their application in large-scale population screening.In this work,a surface-enhanced Raman spectroscopy(SERS)-based method was established to explore the profiles of different stratified components in saliva from NPC and healthy subjects after fractionation processing.The study findings indicate that all fractionated samples exhibit diseaseassociated molecular signaling differences,where small-molecule(molecular weight cut-offvalue is 10 kDa)demonstrating superior classification capabilities with sensitivity of 90.5%and speci-ficity of 75.6%,area under receiver operating characteristic(ROC)curve of 0:925±0:031.The primary objective of this study was to qualitatively explore patterns in saliva composition across groups.The proposed SERS detection strategy for fractionated saliva offers novel insights for enhancing the sensitivity and reliability of noninvasive NPC screening,laying the foundation for translational application in large-scale clinical settings.展开更多
The rational design of high-performance electrochemical energy storage devices critically depends on a fundamental understanding of ion-electrode interactions at the molecular scale.Herein,we employ interpretable mach...The rational design of high-performance electrochemical energy storage devices critically depends on a fundamental understanding of ion-electrode interactions at the molecular scale.Herein,we employ interpretable machine learning(ML)to reveal electrolyte hydration energy as a universal descriptor governing ion-specific capacitance in two-dimensional(2D)materials.Through explainable ML,we elucidate how ion hydration shell stability and size critically influence charge transport and storage at the electrode-electrolyte interface.Our analysis identifies hydration energy-not ionic size-as the primary factor dictating capacitance,challenging prevailing assumptions and providing quantifiable design rules for electrolyte selection.These insights offer a data-driven pathway to optimize 2D materials for supercapacitors and beyond,including batteries and electrocatalytic systems.This work demonstrates the power of explainable artificial intelligence in uncovering molecular-level mechanisms that accelerate the discovery and development of next-generation energy storage technologies.展开更多
Modern intrusion detection systems(MIDS)face persistent challenges in coping with the rapid evolution of cyber threats,high-volume network traffic,and imbalanced datasets.Traditional models often lack the robustness a...Modern intrusion detection systems(MIDS)face persistent challenges in coping with the rapid evolution of cyber threats,high-volume network traffic,and imbalanced datasets.Traditional models often lack the robustness and explainability required to detect novel and sophisticated attacks effectively.This study introduces an advanced,explainable machine learning framework for multi-class IDS using the KDD99 and IDS datasets,which reflects real-world network behavior through a blend of normal and diverse attack classes.The methodology begins with sophisticated data preprocessing,incorporating both RobustScaler and QuantileTransformer to address outliers and skewed feature distributions,ensuring standardized and model-ready inputs.Critical dimensionality reduction is achieved via the Harris Hawks Optimization(HHO)algorithm—a nature-inspired metaheuristic modeled on hawks’hunting strategies.HHO efficiently identifies the most informative features by optimizing a fitness function based on classification performance.Following feature selection,the SMOTE is applied to the training data to resolve class imbalance by synthetically augmenting underrepresented attack types.The stacked architecture is then employed,combining the strengths of XGBoost,SVM,and RF as base learners.This layered approach improves prediction robustness and generalization by balancing bias and variance across diverse classifiers.The model was evaluated using standard classification metrics:precision,recall,F1-score,and overall accuracy.The best overall performance was recorded with an accuracy of 99.44%for UNSW-NB15,demonstrating the model’s effectiveness.After balancing,the model demonstrated a clear improvement in detecting the attacks.We tested the model on four datasets to show the effectiveness of the proposed approach and performed the ablation study to check the effect of each parameter.Also,the proposed model is computationaly efficient.To support transparency and trust in decision-making,explainable AI(XAI)techniques are incorporated that provides both global and local insight into feature contributions,and offers intuitive visualizations for individual predictions.This makes it suitable for practical deployment in cybersecurity environments that demand both precision and accountability.展开更多
基金supported by the National Key Research and Development Plan(Grant No.2022YFB3401901)the National Natural Science Foundation of China(Grant Nos.12192210,12192214,12072295,and 12222209)+1 种基金Independent Project of State Key Laboratory of Rail Transit Vehicle System(Grant No.2023TPL-T03)Fundamental Research Funds for the Central Universities(Grant No.2682023CG004).
文摘The S38C railway axle undergoes induction hardening,resulting in a gradient-distributed microstructure and mechanical properties.The accurate identification of gradient-distributed plastic parameters for the S38C axle remains a challenging task.To tackle this challenge,the present study proposes a novel approach for identifying the gradient-distributed plastic parameters for the S38C axle by integrating nano-indentation techniques with the machine learning method.Firstly,nano-indentation tests are conducted along the radial direction of the S38C axle to obtain the gradient-distributed load-displacement curves,nano-hardness,and elastic modulus.Subsequently,the dimensionless analysis is performed to obtain the representative stress,strain,and yield stress from load-displacement curves.These parameters are then incorporated into the machine learning method as physical information to identify the gradient-distributed plastic parameters of the S38C axle.The results indicate that the proposed method based on the physics-informed neural network and multi-fidelity neural network successfully identifies the gradient-distributed plastic parameters of the S38C axles and demonstrates superior prediction accuracy and generalization compared with the purely data-driven machine learning method.
基金The National Science and Technology Major Project under contract No.2024YFC2817003the National Natural Science Foundation of China under contract Nos 42276019 and 42249911the Guangdong Ordinary University Innovation Team Project under contract No.2023KCXTD015.
文摘Using in-situ microstructure observations from 2010 to 2018,this study investigates the performance and generalization of machine learning models in parameterizing turbulent mixing in the northwestern South China Sea.The results show that the data-driven extreme gradient boosting(XGBoost)performs better than the other four models,i.e.,random forest,neural network,linear regression and support vector machine regression.In order to further improve the generalization of machine learning-based parameterization method,we propose a physics-informed machine learning(PIML)that couples the MacKinnon-Gregg model(known as the MG model)and Osborn’s formula to the XGBoost model.The correlation coefficient(r)and root mean square error(RMSE)between the estimated and observed 1g(ε)(whereεdenotes the turbulent kinetic energy dissipation rate)from the PIML are improved by 14%and 16%,respectively.The results also show that PIML effectively improves the generalization of the XGBoost-based parameterization method,enhancing r and RMSE by 35%and 75%,respectively.
文摘The accurate prediction of peak overpressure of explosion shockwaves is significant in fields such as explosion hazard assessment and structural protection, where explosion shockwaves serve as typical destructive elements. Aiming at the problem of insufficient accuracy of the existing physical models for predicting the peak overpressure of ground reflected waves, two physics-informed machine learning models are constructed. The results demonstrate that the machine learning models, which incorporate physical information by predicting the deviation between the physical model and actual values and adding a physical loss term in the loss function, can accurately predict both the training and out-oftraining dataset. Compared to existing physical models, the average relative error in the predicted training domain is reduced from 17.459%-48.588% to 2%, and the proportion of average relative error less than 20% increased from 0% to 59.4% to more than 99%. In addition, the relative average error outside the prediction training set range is reduced from 14.496%-29.389% to 5%, and the proportion of relative average error less than 20% increased from 0% to 71.39% to more than 99%. The inclusion of a physical loss term enforcing monotonicity in the loss function effectively improves the extrapolation performance of machine learning. The findings of this study provide valuable reference for explosion hazard assessment and anti-explosion structural design in various fields.
基金the financial support from the National Natural Science Foundation of China(52207229)the financial support from the China Scholarship Council(202207550010)。
文摘The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating conditions,and limited measured signals.Although data-driven methods are perceived as a promising solution,they ignore intrinsic battery physics,leading to compromised accuracy,low efficiency,and low interpretability.In response,this study integrates domain knowledge into deep learning to enhance the RUL prediction performance.We demonstrate accurate RUL prediction using only a single charging curve.First,a generalisable physics-based model is developed to extract ageing-correlated parameters that can describe and explain battery degradation from battery charging data.The parameters inform a deep neural network(DNN)to predict RUL with high accuracy and efficiency.The trained model is validated under 3 types of batteries working under 7 conditions,considering fully charged and partially charged cases.Using data from one cycle only,the proposed method achieves a root mean squared error(RMSE)of 11.42 cycles and a mean absolute relative error(MARE)of 3.19%on average,which are over45%and 44%lower compared to the two state-of-the-art data-driven methods,respectively.Besides its accuracy,the proposed method also outperforms existing methods in terms of efficiency,input burden,and robustness.The inherent relationship between the model parameters and the battery degradation mechanism is further revealed,substantiating the intrinsic superiority of the proposed method.
基金Project(G2022165004L)supported by the High-end Foreign Expert Introduction Program,ChinaProject(2021XM3008)supported by the Special Foundation of Postdoctoral Support Program,Chongqing,China+1 种基金Project(2018-ZL-01)supported by the Sichuan Transportation Science and Technology Project,ChinaProject(HZ2021001)supported by the Chongqing Municipal Education Commission,China。
文摘Landslide susceptibility mapping is a crucial tool for disaster prevention and management.The performance of conventional data-driven model is greatly influenced by the quality of the samples data.The random selection of negative samples results in the lack of interpretability throughout the assessment process.To address this limitation and construct a high-quality negative samples database,this study introduces a physics-informed machine learning approach,combining the random forest model with Scoops 3D,to optimize the negative samples selection strategy and assess the landslide susceptibility of the study area.The Scoops 3D is employed to determine the factor of safety value leveraging Bishop’s simplified method.Instead of conventional random selection,negative samples are extracted from the areas with a high factor of safety value.Subsequently,the results of conventional random forest model and physics-informed data-driven model are analyzed and discussed,focusing on model performance and prediction uncertainty.In comparison to conventional methods,the physics-informed model,set with a safety area threshold of 3,demonstrates a noteworthy improvement in the mean AUC value by 36.7%,coupled with a reduced prediction uncertainty.It is evident that the determination of the safety area threshold exerts an impact on both prediction uncertainty and model performance.
基金supported by the National Natural Science Foundation of China(Nos.22078373 and 22078372).
文摘Pressure swing adsorption(PSA)modeling remains a challenging task since it exhibits strong dynamic and cyclic behavior.This study presents a systematic physics-informed machine learning method that integrates transfer learning and labeled data to construct a spatiotemporal model of the PSA process.To approximate the latent solutions of partial differential equations(PDEs)in the specific steps of pressurization,adsorption,heavy reflux,counter-current depressurization,and light reflux,the system's network representation is decomposed into five lightweight sub-networks.On this basis,we propose a parameter-based transfer learning(TL)combined with domain decomposition to address the long-term integration of periodic PDEs and expedite the network training process.Moreover,to tackle challenges related to sharp adsorption fronts,our method allows for the inclusion of a specified amount of labeled data at the boundaries and/or within the system in the loss function.The results show that the proposed method closely matches the outcomes achieved through the conventional numerical method,effectively simulating all steps and cyclic behavior within the PSA processes.
基金Guangzhou Metro Scientific Research Project(No.JT204-100111-23001)Chongqing Municipal Special Project for Technological Innovation and Application Development(No.CSTB2022TIAD-KPX0101)Science and Technology Research and Development Program of China State Railway Group Co.,Ltd.(No.N2023G045)。
文摘The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combines numerical simulation with machine learning techniques to explore this issue.It presents a summary of special-shaped tunnel geometries and introduces a shape coefficient.Through the finite element software,Plaxis3D,the study simulates six key parameters—shape coefficient,burial depth ratio,tunnel’s longest horizontal length,internal friction angle,cohesion,and soil submerged bulk density—that impact uplift resistance across different conditions.Employing XGBoost and ANN methods,the feature importance of each parameter was analyzed based on the numerical simulation results.The findings demonstrate that a tunnel shape more closely resembling a circle leads to reduced uplift resistance in the overlying soil,whereas other parameters exhibit the contrary effects.Furthermore,the study reveals a diminishing trend in the feature importance of buried depth ratio,internal friction angle,tunnel longest horizontal length,cohesion,soil submerged bulk density,and shape coefficient in influencing uplift resistance.
基金supported by the National Natural Science Foundation of China (42505149,41925023,U2342223,42105069,and 91744208)the China Postdoctoral Science Foundation (2025M770303)+1 种基金the Fundamental Research Funds for the Central Universities (14380230)the Jiangsu Funding Program for Excellent Postdoctoral Talent,and Jiangsu Collaborative Innovation Center of Climate Change。
文摘Countries around the world have been making efforts to reduce pollutant emissions. However, the response of global black carbon(BC) aging to emission changes remains unclear. Using the Community Atmosphere Model version 6 with a machine-learning-integrated four-mode version of the Modal Aerosol Module, we quantify global BC aging responses to emission reductions for 2011–2018 and for 2050 and 2100 under carbon neutrality. During 2011–18, global trends in BC aging degree(mass ratio of coatings to BC, R_(BC)) exhibited marked regional disparities, with a significant increase in China(5.4% yr^(-1)), which contrasts with minimal changes in the USA, Europe, and India. The divergence is attributed to opposing trends in secondary organic aerosol(SOA) and sulfate coatings, driven by regional changes in the emission ratios of corresponding coating precursors to BC(volatile organic compounds-VOCs/BC and SO_(2)/BC). Projections under carbon neutrality reveal that R_(BC) will increase globally by 47%(118%) in 2050(2100), with strong convergent increases expected across major source regions. The R_(BC) increase, primarily driven by enhanced SOA coatings due to sharper BC reductions relative to VOCs, will enhance the global BC mass absorption cross-section(MAC) by 11%(17%) in 2050(2100).Consequently, although the global BC burden will decline sharply by 60%(76%), the enhanced MAC partially offsets the magnitude of the decline in the BC direct radiative effect, resulting in the moderation of global BC DRE decreases to 88%(92%) of the BC burden reductions in 2050(2100). This study highlights the globally enhanced BC aging and light absorption capacity under carbon neutrality, thereby partly offsetting the impact of BC direct emission reductions on future changes in BC radiative effects globally.
基金supported by the U.S.Department of Energy,Office of Science,Biological and Environmental Research Program under award#ERKP752,and the DOE Office of Science,Office of Basic Energy Sciences,Division of Chemical Sciences,Geosciences,and Biosciences(CSGB)(Award No.DE-SC0022214FWP 3ERKCG25)This manuscript has been authored by UT-Battelle,LLC,under contract DEAC05-00OR22725 with the US Department of Energy(DOE)。
文摘The polarity of solvents plays a critical role in various research applications,particularly in their solubilities.Polarity is conveniently characterized by the Kamlet-Taft parameters that is,the hydrogen bonding acidity(α),the basicity(β),and the polarizability(π^(*)).Obtaining Kamlet-Taft parameters is very important for designer solvents,namely ionic liquids(ILs)and deep eutectic solvents(DESs).However,given the unlimited theoretical number of combinations of ionic pairs in ILs and hydrogen-bond donor/acceptor pairs in DESs,experimental determination of their Kamlet-Taft parameters is impractical.To address this,the present study developed two different machine learning(ML)algorithms to predict Kamlet-Taft parameters for designer solvents using quantum chemically derived input features.The ML models developed in the present study showed accurate predictions with high determination coefficient(R^(2))and low root mean square error(RMSE)values.Further,in the context of present interest in the circular bioeconomy,the relationship between the basicities and acidities of designer solvents and their ability to dissolve lignin and carbon dioxide(CO_(2))is discussed.Our method thus guides the design of effective solvents with optimal Kamlet-Taft parameter values dissolving and converting biomass and CO_(2)into valuable chemicals.
基金Supported by CAS Basic and Interdisciplinary Frontier Scientific Research Pilot Project(XDB1190300,XDB1190302)Youth Innovation Promotion Association CAS(Y2021056)+1 种基金Joint Fund of the Yulin University and the Dalian National Laboratory for Clean Energy(YLU-DNL Fund 2022007)The special fund for Science and Technology Innovation Teams of Shanxi Province(202304051001007)。
文摘Cyclohexene is an important raw material in the production of nylon.Selective hydrogenation of benzene is a key method for preparing cyclohexene.However,the Ru catalysts used in current industrial processes still face challenges,including high metal usage,high process costs,and low cyclohexene yield.This study utilizes existing literature data combined with machine learning methods to analyze the factors influencing benzene conversion,cyclohexene selectivity,and yield in the benzene hydrogenation to cyclohexene reaction.It constructs predictive models based on XGBoost and Random Forest algorithms.After analysis,it was found that reaction time,Ru content,and space velocity are key factors influencing cyclohexene yield,selectivity,and benzene conversion.Shapley Additive Explanations(SHAP)analysis and feature importance analysis further revealed the contribution of each variable to the reaction outcomes.Additionally,we randomly generated one million variable combinations using the Dirichlet distribution to attempt to predict high-yield catalyst formulations.This paper provides new insights into the application of machine learning in heterogeneous catalysis and offers some reference for further research.
基金supported by university grants council(RGC),the Hong Kong government,through the general research fund(GRF)with the grant numbers of CityU 11201721 and CityU 11202924supported by the National Natural Science Foundation of China(Grant No.U20A20236).
文摘Single-phase ordered body-centered cubic or B2 multi-principal element intermetallics(MPEIs)have garnered significant attention due to their exceptional mechanical and functional properties.However,their discovery in complex compositional spaces is challenging due to the lack of high-dimensional phase diagrams and the inefficiency of traditional trial-and-error methods.In this study,we developed a physics-informed machine learning(ML)framework that integrates a conditional variational autoencoder(CVAE)with an artificial neural network(ANN).This approach effectively addresses the challenges of data limitation and imbalance,enabling the high-throughput generation of B2 MPEIs.Using this framework,we successfully identified a wide range of B2 complex alloys,spanning quaternary to senary systems,with superior mechanical performance.This work not only demonstrates a significant advancement in the discovery of B2 MPEIs but also provides an accelerated pathway for their design and development.
基金supported by the National Natural Science Foundation of China(No.52207228)the Beijing Natural Science Foundation,China(No.3224070)the National Natural Science Foundation of China(No.52077208).
文摘The growing use of lithium-ion batteries in electric transportation and grid-scale storage systems has intensified the need for accurate and highly generalizable state-of-health(SOH)estimation.Conventional approaches often suffer from reduced accuracy under dynamically uncertain state-of-charge(SOC)operating ranges and heterogeneous aging stresses.This study presents a unified SOH estimation framework that integrates physics-informed modeling,subspace identification,and Transformer-based learning.A reduced-order model is derived from simplified electrochemical dynamics,providing an interpretable and computationally efficient representation of battery behavior.Subspace identification across a wide SOC and SOH range yields degradation-sensitive features,which the Transformer uses to capture long-range aging dynamics via multi-head self-attention.Experiments on LiFePO4 cells under joint-cell training show consistently accurate SOH estimation,with a maximum error of 1.39%,demonstrating the framework’s effectiveness in decoupling SOC and SOH effects.In cross-cell validation,where training and validation are performed on different cells,the model maintains a maximum error of 2.06%,confirming strong generalization to unseen aging trajectories.Comparative experiments on LiFePO_(4)and public LiCoO_(2)datasets confirm the framework’s cross-chemistry applicability.By extracting low-dimensional,physically interpretable features via subspace identification,the framework significantly reduces training cost while maintaining high SOH estimation accuracy,outperforming conventional data-driven models lacking physical guidance.
文摘Latest digital advancements have intensified the necessity for adaptive,data-driven and socially-centered learning ecosystems.This paper presents the formulation of a cross-platform,innovative,gamified and personalized Learning Ecosystem,which integrates 3D/VR environments,as well as machine learning algorithms,and business intelligence frameworks to enhance learner-centered education and inferenced decision-making.This Learning System makes use of immersive,analytically assessed virtual learning spaces,therefore facilitating real-time monitoring of not just learning performance,but also overall engagement and behavioral patterns,via a comprehensive set of sustainability-oriented ESG-aligned Key Performance Indicators(KPIs).Machine learning models support predictive analysis,personalized feedback,and hybrid recommendation mechanisms,whilst dedicated dashboards translate complex educational data into actionable insights for all Use Cases of the System(Educational Institutions,Educators and Learners).Additionally,the presented Learning System introduces a structured Mentoring and Consulting Subsystem,thence reinforcing human-centered guidance alongside automated intelligence.The Platform’s modular architecture and simulation-centered evaluation approach actively support personalized,and continuously optimized learning pathways.Thence,it exemplifies a mature,adaptive Learning Ecosystem,supporting immersive technologies,analytics,and pedagogical support,hence,contributing to contemporary digital learning innovation and sociotechnical transformation in education.
文摘As urbanization continues to accelerate,the challenges associated with managing transportation in metropolitan areas become increasingly complex.The surge in population density contributes to traffic congestion,impacting travel experiences and posing safety risks.Smart urban transportation management emerges as a strategic solution,conceptualized here as a multidimensional big data problem.The success of this strategy hinges on the effective collection of information from diverse,extensive,and heterogeneous data sources,necessitating the implementation of full⁃stack Information and Communication Technology(ICT)solutions.The main idea of the work is to investigate the current technologies of Intelligent Transportation Systems(ITS)and enhance the safety of urban transportation systems.Machine learning models,trained on historical data,can predict traffic congestion,allowing for the implementation of preventive measures.Deep learning architectures,with their ability to handle complex data representations,further refine traffic predictions,contributing to more accurate and dynamic transportation management.The background of this research underscores the challenges posed by traffic congestion in metropolitan areas and emphasizes the need for advanced technological solutions.By integrating GPS and GIS technologies with machine learning algorithms,this work aims to pay attention to the development of intelligent transportation systems that not only address current challenges but also pave the way for future advancements in urban transportation management.
基金Project(42077244)supported by the National Natural Science Foundation of ChinaProject(2020-05)supported by the Open Research Fund of Guangdong Provincial Key Laboratory of Deep Earth Sciences and Geothermal Energy Exploitation and Utilization,China。
文摘Accurate prediction of rockburst intensity levels is crucial for ensuring the safety of deep hard rock engineering construction.This paper introduced an expert system for rockburst intensity level prediction that employs machine learning algorithms as the basis for its inference rules.The system comprises four modules:a database,a repository,an inference engine,and an interpreter.A database containing 1114 rockburst cases was used to construct 357 datasets that serve as the repository for the expert system.Additionally,19 types of machine learning algorithms were used to establish 6783 micro-models to construct cognitive rules within the inference engine.By integrating probability theory and marginal analysis,a fuzzy scoring method based on the SoftMax function was developed and applied to the interpreter for rockburst intensity level prediction,effectively restoring the continuity of rockburst characteristics.The research results indicate that ensemble algorithms based on decision trees are more effective in capturing the characteristics of rockburst.Key factors for accurate prediction of rockburst intensity include uniaxial compressive strength,elastic energy index,the maximum principal stress,tangential stress,and their composite indicators.The accuracy of the proposed rockburst intensity level prediction expert system was verified using 20 engineering rockburst cases,with predictions aligning closely with the actual rockburst intensity levels.
文摘With the proliferation of Internet of Things(IoT)devices,securing these interconnected systems against cyberattacks has become a critical challenge.Traditional security paradigms often fail to cope with the scale and diversity of IoT network traffic.This paper presents a comparative benchmark of classic machine learning(ML)and state-of-the-art deep learning(DL)algorithms for IoT intrusion detection.Our methodology employs a twophased approach:a preliminary pilot study using a custom-generated dataset to establish baselines,followed by a comprehensive evaluation on the large-scale CICIoTDataset2023.We benchmarked algorithms including Random Forest,XGBoost,CNN,and StackedLSTM.The results indicate that while top-performingmodels frombothcategories achieve over 99%classification accuracy,this metric masks a crucial performance trade-off.We demonstrate that treebased ML ensembles exhibit superior precision(91%)in identifying benign traffic,making them effective at reducing false positives.Conversely,DL models demonstrate superior recall(96%),making them better suited for minimizing the interruption of legitimate traffic.We conclude that the selection of an optimal model is not merely a matter of maximizing accuracy but is a strategic choice dependent on the specific security priority either minimizing false alarms or ensuring service availability.Thiswork provides a practical framework for deploying context-aware security solutions in diverse IoT environments.
基金supported by the National Natural Science Foundation of China under Grant U2442219Fengyun Satellite Application Pioneer Program(2023)Special Initiative on Numerical Weather Prediction(NWP)Applications,the Civil Aerospace Technology Pre-Research Project(D040405)the Joint Funds of the Zhejiang Provincial Natural Science Foundation of China under Grant No.LZJMZ23D050003。
文摘Accurate retrieval of atmospheric vertical profiles is critical for improving weather prediction and climate monitoring.However,the complexity of atmospheric processes in cloudy regions poses challenges compared to those of clear sky scenarios.This study presents a novel framework that integrates Bayesian optimization and machine learning approaches to retrieve atmospheric vertical profiles—including temperature,humidity,ozone concentration,cloud fraction,ice water content(IWC),and liquid water content(LWC)—from hyperspectral infrared observations.Specifically,a Bayesian method was used to refine ERA5 reanalysis data by minimizing brightness temperature(BT)discrepancies against FY-4B Geostationary Interferometric Infrared Sounder(GIIRS)observations,generating a high-quality profile database(~2.8 million profiles)across diverse weather systems.The optimized profiles improve radiative consistency,reducing BT biases from>40 K to<10 K in cloudy regions.To further overcome the limitations of the Bayesian method,we developed a Transformer-Resnet hybrid model(TERNet),which achieved superior performance with RMSE values of 1.61 K(temperature),5.77%(humidity),and 2.25×10^(–6)/6.09×10^(–6)kg kg^(–1)(IWC/LWC)across the entire vertical levels in all-sky conditions.The TERNet outperforms both ERA5 in cloud parameter retrieval and the GIIRS L2 product in thermodynamic profiling.Independent verification with radiosonde and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations(CALIPSO)datasets confirms the framework's reliability across various meteorological regimes.This work demonstrates the capability of combining physics-informed Bayesian methods with data-driven machine learning to fully exploit hyperspectral IR data.
基金financially supported by National Natural Science Foundation ofChina(No.12374405)Provincial Science Foundation for Distinguished Young Scholars of Fujian(No.2024J010024)+1 种基金Natural Science Foundation of Fujian Province of China(No.2023J011267)Major Research Projects for Young and Middle-aged Researchers of Fujian Provincial Health Commission(No.2021ZQNZD010).
文摘Nasopharyngeal carcinoma(NPC)is a malignant tumor prevalent in southern China and Southeast Asia,where its early detection is crucial for improving patient prognosis and reducing mortality rates.However,existing screening methods suffer from limitations in accuracy and accessibility,hindering their application in large-scale population screening.In this work,a surface-enhanced Raman spectroscopy(SERS)-based method was established to explore the profiles of different stratified components in saliva from NPC and healthy subjects after fractionation processing.The study findings indicate that all fractionated samples exhibit diseaseassociated molecular signaling differences,where small-molecule(molecular weight cut-offvalue is 10 kDa)demonstrating superior classification capabilities with sensitivity of 90.5%and speci-ficity of 75.6%,area under receiver operating characteristic(ROC)curve of 0:925±0:031.The primary objective of this study was to qualitatively explore patterns in saliva composition across groups.The proposed SERS detection strategy for fractionated saliva offers novel insights for enhancing the sensitivity and reliability of noninvasive NPC screening,laying the foundation for translational application in large-scale clinical settings.
基金supported by Iran National Science Foundation(INSF)under project No.4022382Facilities were provided by the Condensed Matter National Laboratory at the Institute for Research in Fundamental Sciences(IPM)in Tehran,Iran.Additionally,financial support for equipment purchase was granted by the INSF under project number 4022382.
文摘The rational design of high-performance electrochemical energy storage devices critically depends on a fundamental understanding of ion-electrode interactions at the molecular scale.Herein,we employ interpretable machine learning(ML)to reveal electrolyte hydration energy as a universal descriptor governing ion-specific capacitance in two-dimensional(2D)materials.Through explainable ML,we elucidate how ion hydration shell stability and size critically influence charge transport and storage at the electrode-electrolyte interface.Our analysis identifies hydration energy-not ionic size-as the primary factor dictating capacitance,challenging prevailing assumptions and providing quantifiable design rules for electrolyte selection.These insights offer a data-driven pathway to optimize 2D materials for supercapacitors and beyond,including batteries and electrocatalytic systems.This work demonstrates the power of explainable artificial intelligence in uncovering molecular-level mechanisms that accelerate the discovery and development of next-generation energy storage technologies.
基金funded by Princess Nourah bint Abdulrahman University Researchers Supporting Project number(PNURSP2025R104)Princess Nourah bint Abdulrahman University,Riyadh,Saudi Arabia.
文摘Modern intrusion detection systems(MIDS)face persistent challenges in coping with the rapid evolution of cyber threats,high-volume network traffic,and imbalanced datasets.Traditional models often lack the robustness and explainability required to detect novel and sophisticated attacks effectively.This study introduces an advanced,explainable machine learning framework for multi-class IDS using the KDD99 and IDS datasets,which reflects real-world network behavior through a blend of normal and diverse attack classes.The methodology begins with sophisticated data preprocessing,incorporating both RobustScaler and QuantileTransformer to address outliers and skewed feature distributions,ensuring standardized and model-ready inputs.Critical dimensionality reduction is achieved via the Harris Hawks Optimization(HHO)algorithm—a nature-inspired metaheuristic modeled on hawks’hunting strategies.HHO efficiently identifies the most informative features by optimizing a fitness function based on classification performance.Following feature selection,the SMOTE is applied to the training data to resolve class imbalance by synthetically augmenting underrepresented attack types.The stacked architecture is then employed,combining the strengths of XGBoost,SVM,and RF as base learners.This layered approach improves prediction robustness and generalization by balancing bias and variance across diverse classifiers.The model was evaluated using standard classification metrics:precision,recall,F1-score,and overall accuracy.The best overall performance was recorded with an accuracy of 99.44%for UNSW-NB15,demonstrating the model’s effectiveness.After balancing,the model demonstrated a clear improvement in detecting the attacks.We tested the model on four datasets to show the effectiveness of the proposed approach and performed the ablation study to check the effect of each parameter.Also,the proposed model is computationaly efficient.To support transparency and trust in decision-making,explainable AI(XAI)techniques are incorporated that provides both global and local insight into feature contributions,and offers intuitive visualizations for individual predictions.This makes it suitable for practical deployment in cybersecurity environments that demand both precision and accountability.
