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
The advantages of genome selection(GS) in animal and plant breeding are self-evident.Traditional parametric models have disadvantage in better fit the increasingly large sequencing data and capture complex effects acc...The advantages of genome selection(GS) in animal and plant breeding are self-evident.Traditional parametric models have disadvantage in better fit the increasingly large sequencing data and capture complex effects accurately.Machine learning models have demonstrated remarkable potential in addressing these challenges.In this study,we introduced the concept of mixed kernel functions to explore the performance of support vector machine regression(SVR) in GS.Six single kernel functions(SVR_L,SVR_C,SVR_G,SVR_P,SVR_S,SVR_L) and four mixed kernel functions(SVR_GS,SVR_GP,SVR_LS,SVR_LP) were used to predict genome breeding values.The prediction accuracy,mean squared error(MSE) and mean absolute error(MAE) were used as evaluation indicators to compare with two traditional parametric models(GBLUP,BayesB) and two popular machine learning models(RF,KcRR).The results indicate that in most cases,the performance of the mixed kernel function model significantly outperforms that of GBLUP,BayesB and single kernel function.For instance,for T1 in the pig dataset,the predictive accuracy of SVR_GS is improved by 10% compared to GBLUP,and by approximately 4.4 and 18.6% compared to SVR_G and SVR_S respectively.For E1 in the wheat dataset,SVR_GS achieves 13.3% higher prediction accuracy than GBLUP.Among single kernel functions,the Laplacian and Gaussian kernel functions yield similar results,with the Gaussian kernel function performing better.The mixed kernel function notably reduces the MSE and MAE when compared to all single kernel functions.Furthermore,regarding runtime,SVR_GS and SVR_GP mixed kernel functions run approximately three times faster than GBLUP in the pig dataset,with only a slight increase in runtime compared to the single kernel function model.In summary,the mixed kernel function model of SVR demonstrates speed and accuracy competitiveness,and the model such as SVR_GS has important application potential for GS.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
First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties o...First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties of a wide variety of materials.Among different implementations of DFT,the plane-wave method is widely used for periodic systems because of its high accuracy.However,this method typically requires a large number of basis functions for large systems,leading to high computational costs.Localized basis sets,such as the muffin-tin orbital(MTO)method,have been introduced to provide a more efficient description of electronic structure with a reduced basis set,albeit at the cost of reduced computational accuracy.In this work,we propose an optimization strategy using machine-learning techniques to automate MTO basis-set parameters,thereby improving the accuracy and efficiency of MTO-based calculations.Default MTO parameter settings primarily focus on lattice structure and give less consideration to element-specific differences.In contrast,our optimized parameters incorporate both structural and elemental information.Based on these converged parameters,we successfully recovered missing bands for CrTe_(2).For the other three materials—Si,GaAs,and CrI_(3)—we achieved band improvements of up to 2 e V.Furthermore,the generalization of the machine-learned method is validated by perturbation,strain,and elemental substitution,resulting in improved band structures.Additionally,lattice-constant optimization for Ga As using the converged parameters yields closer agreement with experiment.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
The viscosity of refining slags plays a critical role in metallurgical processes.However,obtaining accurate viscosity data remains challenging due to the complexities of high-temperature experiments,often relying on e...The viscosity of refining slags plays a critical role in metallurgical processes.However,obtaining accurate viscosity data remains challenging due to the complexities of high-temperature experiments,often relying on empirical models with limited predictive capabilities.This study focuses on the influence of optical basicity on viscosity in CaO-Al_(2)O_(3)-based refining slags,leveraging machine learning to address data scarcity and improve prediction accuracy.An automated framework for algorithm integration,parameter tuning,and evaluation ranking framework(Auto-APE)is employed to develop customized data-driven models for various slag systems,including CaO-Al_(2)O_(3)-SiO_(2),CaO-Al_(2)O_(3)-CaF_(2),CaO-Al_(2)O_(3)-SiO_(2)-MgO,and CaO-Al_(2)O_(3)-SiO_(2)-MgO-CaF_(2).By incorporating optical basicity as a key feature,the models achieve an average validation error of 8.0%to 15.1%,significantly outperforming traditional empirical models.Additionally,symbolic regression is introduced to rapidly construct domain-specific features,such as optical basicity-like descriptors,offering a potential breakthrough in performance prediction for small datasets.This work highlights the critical role of domain-specific knowledge in understanding and predicting viscosity,providing a robust machine learning-based approach for optimizing refining slag properties.展开更多
Lead(Pb)is a typical low-melting-point ductile metal and serves as an important model material in the study of dynamic responses.Under shock-wave loading,its dynamic mechanical behavior comprises two key phenomena:pla...Lead(Pb)is a typical low-melting-point ductile metal and serves as an important model material in the study of dynamic responses.Under shock-wave loading,its dynamic mechanical behavior comprises two key phenomena:plastic deformation and shock-induced phase transitions.The underlying mechanisms of these processes are still poorly understood.Revealing these mechanisms remains challenging for experimental approaches.Non-equilibrium molecular dynamics(NEMD)simulations are an alternative theoretical tool for studying dynamic responses,as they capture atomic-scale mechanisms such as defect evolution and deformation pathways.However,due to the limited accuracy of empirical interatomic potentials,the reliability of previous NEMD studies has been questioned.Using our newly developed machine learning potential for Pb-Sn alloys,we revisited the microstructural evolution in response to shock loading under various shock orientations.The results reveal that shock loading along the[001]orientation of Pb exhibits a fast,reversible,and massive phase transition and stacking-fault evolution.The behavior of Pb differs from previous studies by the absence of twinning during plastic deformation.Loading along the[011]orientation leads to slow,irreversible plastic deformation,and a localized FCC-BCC phase transition in the Pitsch orientation relationship.This study provides crucial theoretical insights into the dynamic mechanical response of Pb,offering a theoretical input for understanding the microstructure-performance relationship under extreme conditions.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
The complex interactions and conflicting performance demands in multi-component composites pose significant challenges for achieving balanced multi-property optimization through conventional trial-and-error approaches...The complex interactions and conflicting performance demands in multi-component composites pose significant challenges for achieving balanced multi-property optimization through conventional trial-and-error approaches.Machine learning(ML)offers a promising solution,markedly improving materials discovery efficiency.However,the high dimensionality of feature spaces in such systems has long impeded effective ML-driven feature representation and inverse design.To overcome this,we present an Intelligent Screening System(ISS)framework to accelerate the discovery of optimal formulations balancing four key properties in 15-component PTFE-based copper-clad laminate composites(PTFE-CCLCs).ISS adopts modular descriptors based on the physical information of component volume fractions,thereby simplifying the feature representation.By leveraging the inverse prediction capability of ML models and constructing a performance-driven virtual candidate database,ISS significantly reduced the computational complexity associated with high-dimensional spaces.Experimental validation confirmed that ISSoptimized formulations exhibited superior synergy,notably resolving the trade-off between thermal conductivity and peel strength,and outperform many commercial counterparts.Despite limited data and inherent process variability,ISS achieved an average prediction accuracy of 76.5%,with thermal conductivity predictions exceeding 90%,demonstrating robust reliability.This work provides an innovative,efficient strategy for multifunctional optimization and accelerated discovery in ultra-complex composite systems,highlighting the integration of ML and advanced materials design.展开更多
Gastrointestinal(GI)cancers remain a leading cause of cancer-related morbidity and mortality worldwide.Artificial intelligence(AI),particularly machine learning and deep learning(DL),has shown promise in enhancing can...Gastrointestinal(GI)cancers remain a leading cause of cancer-related morbidity and mortality worldwide.Artificial intelligence(AI),particularly machine learning and deep learning(DL),has shown promise in enhancing cancer detection,diagnosis,and prognostication.A narrative review of literature published from January 2015 to march 2025 was conducted using PubMed,Web of Science,and Scopus.Search terms included"gastrointestinal cancer","artificial intelligence","machine learning","deep learning","radiomics","multimodal detection"and"predictive modeling".Studies were included if they focused on clinically relevant AI applications in GI oncology.AI algorithms for GI cancer detection have achieved high performance across imaging modalities,with endoscopic DL systems reporting accuracies of 85%-97%for polyp detection and segmentation.Radiomics-based models have predicted molecular biomarkers such as programmed cell death ligand 2 expression with area under the curves up to 0.92.Large language models applied to radiology reports demonstrated diagnostic accuracy comparable to junior radiologists(78.9%vs 80.0%),though without incremental value when combined with human interpretation.Multimodal AI approaches integrating imaging,pathology,and clinical data show emerging potential for precision oncology.AI in GI oncology has reached clinically relevant accuracy levels in multiple diagnostic tasks,with multimodal approaches and predictive biomarker modeling offering new opportunities for personalized care.However,broader validation,integration into clinical workflows,and attention to ethical,legal,and social implications remain critical for widespread adoption.展开更多
The detection and characterization of non-metallic inclusions are essential for clean steel production.Recently,imaging analysis combined with high-dimensional data processing of metallic materials using artificial in...The detection and characterization of non-metallic inclusions are essential for clean steel production.Recently,imaging analysis combined with high-dimensional data processing of metallic materials using artificial intelligence(AI)-based machine learning(ML)has developed rapidly.This technique has achieved impressive results in the field of inclusion classification in process metallurgy.The present study surveys the ML modeling of inclusion prediction in advanced steels,including the detection,classification,and feature prediction of inclusions in different steel grades.Studies on clean steel with different features based on data and image analysis via ML are summarized.Regarding the data analysis,the inclusion prediction methodology based on ML establishes a connection between the experimental parameters and inclusion characteristics and analyzes the importance of the experimental parameters.Regarding the image analysis,the focus is placed on the classification of different types of inclusions via deep learning,in comparison with data analysis.Finally,further development of inclusion analyses using ML-based methods is recommended.This work paves the way for the application of AIbased methodologies for ultraclean-steel studies from a sustainable metallurgy perspective.展开更多
During electrochemical machining(ECM),the passivation film formed on the surface of titanium alloy can lead to uneven dissolution and pitting.Solid particle erosion can effectively remove this passivation film.In this...During electrochemical machining(ECM),the passivation film formed on the surface of titanium alloy can lead to uneven dissolution and pitting.Solid particle erosion can effectively remove this passivation film.In this paper,the electrochemical dissolution behavior of Ti-6.5Al-2Zr-1Mo-1V(TA15)titanium alloy at without particle impact,low(15°)and high(90°)angle particle impact was investigated,and the influence of Al_(2)O_(3)particles on ECM was systematically expounded.It was found that under the condition of no particle erosion,the surface of electrochemically processed titanium alloy had serious pitting corrosion due to the influence of the passivation film,and the surface roughness(Sa)of the local area reached 10.088μm.Under the condition of a high-impact angle(90°),due to the existence of strain hardening and particle embedding,only the edge of the surface is dissolved,while the central area is almost insoluble,with the surface roughness(S_(a))reaching 16.086μm.On the contrary,under the condition of a low-impact angle(15°),the machining efficiency and surface quality of the material were significantly improved due to the ploughing effect and galvanic corrosion,and the surface roughness(S_(a))reached 2.823μm.Based on these findings,the electrochemical dissolution model of TA15 titanium alloy under different particle erosion conditions was established.展开更多
Objective:The increasing global prevalence of mental health disorders highlights the urgent need for the development of innovative diagnostic methods.Conditions such as anxiety,depression,stress,bipolar disorder(BD),a...Objective:The increasing global prevalence of mental health disorders highlights the urgent need for the development of innovative diagnostic methods.Conditions such as anxiety,depression,stress,bipolar disorder(BD),and autism spectrum disorder(ASD)frequently arise from the complex interplay of demographic,biological,and socioeconomic factors,resulting in aggravated symptoms.This review investigates machine intelligence approaches for the early detection and prediction of mental health conditions.Methods:The preferred reporting items for systematic reviews and meta-analyses(PRISMA)framework was employed to conduct a systematic review and analysis covering the period 2018 to 2025.The potential impact of machine intelligence methods was assessed by considering various strategies,hybridization of algorithms,tools,techniques,and datasets,and their applicability.Results:Through a systematic review of studies concentrating on the prediction and evaluation of mental disorders using machine intelligence algorithms,advancements,limitations,and gaps in current methodologies were highlighted.The datasets and tools utilized in these investigations were examined,offering a detailed overview of the status of computational models in understanding and diagnosing mental health disorders.Recent research indicated considerable improvements in diagnostic accuracy and treatment effectiveness,particularly for depression and anxiety,which have shown the greatest methodological diversity and notable advancements in machine intelligence.Conclusions:Despite these improvements,challenges persist,including the need for more diverse datasets,ethical issues surrounding data privacy and algorithmic bias,and obstacles to integrating these technologies into clinical settings.This synthesis emphasizes the transformative potential of machine intelligence in enhancing mental healthcare.展开更多
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
Delayed wound healing following radical gastrectomy remains an important yet underappreciated complication that prolongs hospitalization,increases costs,and undermines patient recovery.In An et al’s recent study,the ...Delayed wound healing following radical gastrectomy remains an important yet underappreciated complication that prolongs hospitalization,increases costs,and undermines patient recovery.In An et al’s recent study,the authors present a machine learning-based risk prediction approach using routinely available clinical and laboratory parameters.Among the evaluated algorithms,a decision tree model demonstrated excellent discrimination,achieving an area under the curve of 0.951 in the validation set and notably identifying all true cases of delayed wound healing at the Youden index threshold.The inclusion of variables such as drainage duration,preoperative white blood cell and neutrophil counts,alongside age and sex,highlights the pragmatic appeal of the model for early postoperative monitoring.Nevertheless,several aspects warrant critical reflection,including the reliance on a postoperative variable(drainage duration),internal validation only,and certain reporting inconsistencies.This letter underscores both the promise and the limitations of adopting interpretable machine learning models in perioperative care.We advocate for transparent reporting,external validation,and careful consideration of clinically actionable timepoints before integration into practice.Ultimately,this work represents a valuable step toward precision risk stratification in gastric cancer surgery,and sets the stage for multicenter,prospective evaluations.展开更多
Oxide dispersion strengthened(ODS)alloys are extensively used owing to high thermostability and creep strength contributed from uniformly dispersed fine oxides particles.However,the existence of these strengthening pa...Oxide dispersion strengthened(ODS)alloys are extensively used owing to high thermostability and creep strength contributed from uniformly dispersed fine oxides particles.However,the existence of these strengthening particles also deteriorates the processability and it is of great importance to establish accurate processing maps to guide the thermomechanical processes to enhance the formability.In this study,we performed particle swarm optimization-based back propagation artificial neural network model to predict the high temperature flow behavior of 0.25wt%Al2O3 particle-reinforced Cu alloys,and compared the accuracy with that of derived by Arrhenius-type constitutive model and back propagation artificial neural network model.To train these models,we obtained the raw data by fabricating ODS Cu alloys using the internal oxidation and reduction method,and conducting systematic hot compression tests between 400 and800℃with strain rates of 10^(-2)-10 S^(-1).At last,processing maps for ODS Cu alloys were proposed by combining processing parameters,mechanical behavior,microstructure characterization,and the modeling results achieved a coefficient of determination higher than>99%.展开更多
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 the China Agriculture Research System of MOF and MARAthe National Natural Science Foundation of China (31872337 and 31501919)the Agricultural Science and Technology Innovation Project,China (ASTIP-IAS02)。
文摘The advantages of genome selection(GS) in animal and plant breeding are self-evident.Traditional parametric models have disadvantage in better fit the increasingly large sequencing data and capture complex effects accurately.Machine learning models have demonstrated remarkable potential in addressing these challenges.In this study,we introduced the concept of mixed kernel functions to explore the performance of support vector machine regression(SVR) in GS.Six single kernel functions(SVR_L,SVR_C,SVR_G,SVR_P,SVR_S,SVR_L) and four mixed kernel functions(SVR_GS,SVR_GP,SVR_LS,SVR_LP) were used to predict genome breeding values.The prediction accuracy,mean squared error(MSE) and mean absolute error(MAE) were used as evaluation indicators to compare with two traditional parametric models(GBLUP,BayesB) and two popular machine learning models(RF,KcRR).The results indicate that in most cases,the performance of the mixed kernel function model significantly outperforms that of GBLUP,BayesB and single kernel function.For instance,for T1 in the pig dataset,the predictive accuracy of SVR_GS is improved by 10% compared to GBLUP,and by approximately 4.4 and 18.6% compared to SVR_G and SVR_S respectively.For E1 in the wheat dataset,SVR_GS achieves 13.3% higher prediction accuracy than GBLUP.Among single kernel functions,the Laplacian and Gaussian kernel functions yield similar results,with the Gaussian kernel function performing better.The mixed kernel function notably reduces the MSE and MAE when compared to all single kernel functions.Furthermore,regarding runtime,SVR_GS and SVR_GP mixed kernel functions run approximately three times faster than GBLUP in the pig dataset,with only a slight increase in runtime compared to the single kernel function model.In summary,the mixed kernel function model of SVR demonstrates speed and accuracy competitiveness,and the model such as SVR_GS has important application potential for GS.
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supported by the National Key Research and Development Program of China(Grant Nos.2023YFA1406600 and 2021YFA1202200)。
文摘First-principles calculations based on density functional theory(DFT)have had a significant impact on chemistry,physics,and materials science,enabling in-depth exploration of the structural and electronic properties of a wide variety of materials.Among different implementations of DFT,the plane-wave method is widely used for periodic systems because of its high accuracy.However,this method typically requires a large number of basis functions for large systems,leading to high computational costs.Localized basis sets,such as the muffin-tin orbital(MTO)method,have been introduced to provide a more efficient description of electronic structure with a reduced basis set,albeit at the cost of reduced computational accuracy.In this work,we propose an optimization strategy using machine-learning techniques to automate MTO basis-set parameters,thereby improving the accuracy and efficiency of MTO-based calculations.Default MTO parameter settings primarily focus on lattice structure and give less consideration to element-specific differences.In contrast,our optimized parameters incorporate both structural and elemental information.Based on these converged parameters,we successfully recovered missing bands for CrTe_(2).For the other three materials—Si,GaAs,and CrI_(3)—we achieved band improvements of up to 2 e V.Furthermore,the generalization of the machine-learned method is validated by perturbation,strain,and elemental substitution,resulting in improved band structures.Additionally,lattice-constant optimization for Ga As using the converged parameters yields closer agreement with experiment.
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.
基金supported by the National Key Research and Development Program of China(No.2023YFB3712401),the National Natural Science Foundation of China(No.52274301)the Aeronautical Science Foundation of China(No.2023Z0530S6005)the Ningbo Yongjiang Talent-Introduction Programme(No.2022A-023-C).
文摘The viscosity of refining slags plays a critical role in metallurgical processes.However,obtaining accurate viscosity data remains challenging due to the complexities of high-temperature experiments,often relying on empirical models with limited predictive capabilities.This study focuses on the influence of optical basicity on viscosity in CaO-Al_(2)O_(3)-based refining slags,leveraging machine learning to address data scarcity and improve prediction accuracy.An automated framework for algorithm integration,parameter tuning,and evaluation ranking framework(Auto-APE)is employed to develop customized data-driven models for various slag systems,including CaO-Al_(2)O_(3)-SiO_(2),CaO-Al_(2)O_(3)-CaF_(2),CaO-Al_(2)O_(3)-SiO_(2)-MgO,and CaO-Al_(2)O_(3)-SiO_(2)-MgO-CaF_(2).By incorporating optical basicity as a key feature,the models achieve an average validation error of 8.0%to 15.1%,significantly outperforming traditional empirical models.Additionally,symbolic regression is introduced to rapidly construct domain-specific features,such as optical basicity-like descriptors,offering a potential breakthrough in performance prediction for small datasets.This work highlights the critical role of domain-specific knowledge in understanding and predicting viscosity,providing a robust machine learning-based approach for optimizing refining slag properties.
基金supported by the National Key R&D Program of China(Grant No.2022YFA1004300)the National Natural Science Foundation of China(Grant No.12404004)。
文摘Lead(Pb)is a typical low-melting-point ductile metal and serves as an important model material in the study of dynamic responses.Under shock-wave loading,its dynamic mechanical behavior comprises two key phenomena:plastic deformation and shock-induced phase transitions.The underlying mechanisms of these processes are still poorly understood.Revealing these mechanisms remains challenging for experimental approaches.Non-equilibrium molecular dynamics(NEMD)simulations are an alternative theoretical tool for studying dynamic responses,as they capture atomic-scale mechanisms such as defect evolution and deformation pathways.However,due to the limited accuracy of empirical interatomic potentials,the reliability of previous NEMD studies has been questioned.Using our newly developed machine learning potential for Pb-Sn alloys,we revisited the microstructural evolution in response to shock loading under various shock orientations.The results reveal that shock loading along the[001]orientation of Pb exhibits a fast,reversible,and massive phase transition and stacking-fault evolution.The behavior of Pb differs from previous studies by the absence of twinning during plastic deformation.Loading along the[011]orientation leads to slow,irreversible plastic deformation,and a localized FCC-BCC phase transition in the Pitsch orientation relationship.This study provides crucial theoretical insights into the dynamic mechanical response of Pb,offering a theoretical input for understanding the microstructure-performance relationship under extreme conditions.
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.
基金financially supported by the National Key Research and Development Project of China(No.2022YFB3806900)。
文摘The complex interactions and conflicting performance demands in multi-component composites pose significant challenges for achieving balanced multi-property optimization through conventional trial-and-error approaches.Machine learning(ML)offers a promising solution,markedly improving materials discovery efficiency.However,the high dimensionality of feature spaces in such systems has long impeded effective ML-driven feature representation and inverse design.To overcome this,we present an Intelligent Screening System(ISS)framework to accelerate the discovery of optimal formulations balancing four key properties in 15-component PTFE-based copper-clad laminate composites(PTFE-CCLCs).ISS adopts modular descriptors based on the physical information of component volume fractions,thereby simplifying the feature representation.By leveraging the inverse prediction capability of ML models and constructing a performance-driven virtual candidate database,ISS significantly reduced the computational complexity associated with high-dimensional spaces.Experimental validation confirmed that ISSoptimized formulations exhibited superior synergy,notably resolving the trade-off between thermal conductivity and peel strength,and outperform many commercial counterparts.Despite limited data and inherent process variability,ISS achieved an average prediction accuracy of 76.5%,with thermal conductivity predictions exceeding 90%,demonstrating robust reliability.This work provides an innovative,efficient strategy for multifunctional optimization and accelerated discovery in ultra-complex composite systems,highlighting the integration of ML and advanced materials design.
文摘Gastrointestinal(GI)cancers remain a leading cause of cancer-related morbidity and mortality worldwide.Artificial intelligence(AI),particularly machine learning and deep learning(DL),has shown promise in enhancing cancer detection,diagnosis,and prognostication.A narrative review of literature published from January 2015 to march 2025 was conducted using PubMed,Web of Science,and Scopus.Search terms included"gastrointestinal cancer","artificial intelligence","machine learning","deep learning","radiomics","multimodal detection"and"predictive modeling".Studies were included if they focused on clinically relevant AI applications in GI oncology.AI algorithms for GI cancer detection have achieved high performance across imaging modalities,with endoscopic DL systems reporting accuracies of 85%-97%for polyp detection and segmentation.Radiomics-based models have predicted molecular biomarkers such as programmed cell death ligand 2 expression with area under the curves up to 0.92.Large language models applied to radiology reports demonstrated diagnostic accuracy comparable to junior radiologists(78.9%vs 80.0%),though without incremental value when combined with human interpretation.Multimodal AI approaches integrating imaging,pathology,and clinical data show emerging potential for precision oncology.AI in GI oncology has reached clinically relevant accuracy levels in multiple diagnostic tasks,with multimodal approaches and predictive biomarker modeling offering new opportunities for personalized care.However,broader validation,integration into clinical workflows,and attention to ethical,legal,and social implications remain critical for widespread adoption.
基金support from the National Key Research and Development Program of China(No.2024YFB3713705)is acknowledgedWangzhong Mu would like to acknowledge the Strategic Mobility,Sweden(SSF,No.SM22-0039)+1 种基金the Swedish Foundation for International Cooperation in Research and Higher Education(STINT,No.IB2022-9228)the Jernkontoret(Sweden)for supporting this clean steel research.Gonghao Lian would like to acknowledge China Scholarship Council(CSC,No.202306080032).
文摘The detection and characterization of non-metallic inclusions are essential for clean steel production.Recently,imaging analysis combined with high-dimensional data processing of metallic materials using artificial intelligence(AI)-based machine learning(ML)has developed rapidly.This technique has achieved impressive results in the field of inclusion classification in process metallurgy.The present study surveys the ML modeling of inclusion prediction in advanced steels,including the detection,classification,and feature prediction of inclusions in different steel grades.Studies on clean steel with different features based on data and image analysis via ML are summarized.Regarding the data analysis,the inclusion prediction methodology based on ML establishes a connection between the experimental parameters and inclusion characteristics and analyzes the importance of the experimental parameters.Regarding the image analysis,the focus is placed on the classification of different types of inclusions via deep learning,in comparison with data analysis.Finally,further development of inclusion analyses using ML-based methods is recommended.This work paves the way for the application of AIbased methodologies for ultraclean-steel studies from a sustainable metallurgy perspective.
基金supported by the National Natural Science Foundation of China(No.52175414)the Natural Science Foundation of Jiangsu Province of China(No.BK20220134)+1 种基金the Fundamental Research Funds for the Central Universities,China(No.NE2023002)the Postgraduate Research&Practice Innovation Program of Jiangsu Province,China(No.KYCX24_0559)。
文摘During electrochemical machining(ECM),the passivation film formed on the surface of titanium alloy can lead to uneven dissolution and pitting.Solid particle erosion can effectively remove this passivation film.In this paper,the electrochemical dissolution behavior of Ti-6.5Al-2Zr-1Mo-1V(TA15)titanium alloy at without particle impact,low(15°)and high(90°)angle particle impact was investigated,and the influence of Al_(2)O_(3)particles on ECM was systematically expounded.It was found that under the condition of no particle erosion,the surface of electrochemically processed titanium alloy had serious pitting corrosion due to the influence of the passivation film,and the surface roughness(Sa)of the local area reached 10.088μm.Under the condition of a high-impact angle(90°),due to the existence of strain hardening and particle embedding,only the edge of the surface is dissolved,while the central area is almost insoluble,with the surface roughness(S_(a))reaching 16.086μm.On the contrary,under the condition of a low-impact angle(15°),the machining efficiency and surface quality of the material were significantly improved due to the ploughing effect and galvanic corrosion,and the surface roughness(S_(a))reached 2.823μm.Based on these findings,the electrochemical dissolution model of TA15 titanium alloy under different particle erosion conditions was established.
文摘Objective:The increasing global prevalence of mental health disorders highlights the urgent need for the development of innovative diagnostic methods.Conditions such as anxiety,depression,stress,bipolar disorder(BD),and autism spectrum disorder(ASD)frequently arise from the complex interplay of demographic,biological,and socioeconomic factors,resulting in aggravated symptoms.This review investigates machine intelligence approaches for the early detection and prediction of mental health conditions.Methods:The preferred reporting items for systematic reviews and meta-analyses(PRISMA)framework was employed to conduct a systematic review and analysis covering the period 2018 to 2025.The potential impact of machine intelligence methods was assessed by considering various strategies,hybridization of algorithms,tools,techniques,and datasets,and their applicability.Results:Through a systematic review of studies concentrating on the prediction and evaluation of mental disorders using machine intelligence algorithms,advancements,limitations,and gaps in current methodologies were highlighted.The datasets and tools utilized in these investigations were examined,offering a detailed overview of the status of computational models in understanding and diagnosing mental health disorders.Recent research indicated considerable improvements in diagnostic accuracy and treatment effectiveness,particularly for depression and anxiety,which have shown the greatest methodological diversity and notable advancements in machine intelligence.Conclusions:Despite these improvements,challenges persist,including the need for more diverse datasets,ethical issues surrounding data privacy and algorithmic bias,and obstacles to integrating these technologies into clinical settings.This synthesis emphasizes the transformative potential of machine intelligence in enhancing mental healthcare.
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.
文摘Delayed wound healing following radical gastrectomy remains an important yet underappreciated complication that prolongs hospitalization,increases costs,and undermines patient recovery.In An et al’s recent study,the authors present a machine learning-based risk prediction approach using routinely available clinical and laboratory parameters.Among the evaluated algorithms,a decision tree model demonstrated excellent discrimination,achieving an area under the curve of 0.951 in the validation set and notably identifying all true cases of delayed wound healing at the Youden index threshold.The inclusion of variables such as drainage duration,preoperative white blood cell and neutrophil counts,alongside age and sex,highlights the pragmatic appeal of the model for early postoperative monitoring.Nevertheless,several aspects warrant critical reflection,including the reliance on a postoperative variable(drainage duration),internal validation only,and certain reporting inconsistencies.This letter underscores both the promise and the limitations of adopting interpretable machine learning models in perioperative care.We advocate for transparent reporting,external validation,and careful consideration of clinically actionable timepoints before integration into practice.Ultimately,this work represents a valuable step toward precision risk stratification in gastric cancer surgery,and sets the stage for multicenter,prospective evaluations.
基金financial support of the National Natural Science Foundation of China(No.52371103)the Fundamental Research Funds for the Central Universities,China(No.2242023K40028)+1 种基金the Open Research Fund of Jiangsu Key Laboratory for Advanced Metallic Materials,China(No.AMM2023B01).financial support of the Research Fund of Shihezi Key Laboratory of AluminumBased Advanced Materials,China(No.2023PT02)financial support of Guangdong Province Science and Technology Major Project,China(No.2021B0301030005)。
文摘Oxide dispersion strengthened(ODS)alloys are extensively used owing to high thermostability and creep strength contributed from uniformly dispersed fine oxides particles.However,the existence of these strengthening particles also deteriorates the processability and it is of great importance to establish accurate processing maps to guide the thermomechanical processes to enhance the formability.In this study,we performed particle swarm optimization-based back propagation artificial neural network model to predict the high temperature flow behavior of 0.25wt%Al2O3 particle-reinforced Cu alloys,and compared the accuracy with that of derived by Arrhenius-type constitutive model and back propagation artificial neural network model.To train these models,we obtained the raw data by fabricating ODS Cu alloys using the internal oxidation and reduction method,and conducting systematic hot compression tests between 400 and800℃with strain rates of 10^(-2)-10 S^(-1).At last,processing maps for ODS Cu alloys were proposed by combining processing parameters,mechanical behavior,microstructure characterization,and the modeling results achieved a coefficient of determination higher than>99%.
