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Machine learning-based investigation of uplift resistance in special-shaped shield tunnels using numerical finite element modeling
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作者 ZHANG Wengang YE Wenyu +2 位作者 SUN Weixin LIU Zhicheng LI Zhengchuan 《土木与环境工程学报(中英文)》 北大核心 2026年第1期1-13,共13页
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
关键词 special-shaped tunnel shield tunnel uplift resistance numerical simulation machine learning
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Revolutionizing sepsis therapy:Machine learning-driven co-crystallization reveals emodin's therapeutic potential
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作者 Shuang Li Penghui Yuan +6 位作者 Xinyi Zhang Meiru Liu Dezhi Yang Linglei Kong Li Zhang Yang Lu Guanhua Dua 《Chinese Chemical Letters》 2026年第2期666-672,共7页
In the pharmaceutical field,machine learning can play an important role in drug development,production and treatment.Co-crystallization techniques have shown promising potential to enhance the properties of active pha... In the pharmaceutical field,machine learning can play an important role in drug development,production and treatment.Co-crystallization techniques have shown promising potential to enhance the properties of active pharmaceutical ingredients(APIs)such as solubility,permeability,and bioavailability,all without altering their chemical structure.This approach opens new avenues for developing natural products into effective drugs,especially those previously challenging in formulation.Emodin,an anthraquinone-based natural product,is a notable example due to its diverse biological activities;however,its physicochemical limitations,such as poor solubility and easy sublimation,restricted its clinical application.While various methods have improved emodin's physicochemical properties,research on its bioavailability remains limited.In our study,we summarize cocrystals and salts produced through co-crystallization technology and identify piperazine as a favorable coformer.Conflicting conclusions from computational chemistry and molecular modeling method and machine learning method regarding the formation of an emodin-piperazine cocrystal or salt led us to experimentally validate these possibilities.Ultimately,we successfully obtained the emodin-piperazine cocrystal,which were characterized and evaluated by several in vitro methods and pharmacokinetic studies.In addition,experiments have shown that emodin has a certain therapeutic effect on sepsis,so we also evaluated emodin-piperazine biological activity in a sepsis model.The results demonstrate that co-crystallization significantly enhances emodin's solubility,permeability,and bioavailability.Pharmacodynamic studies indicate that the emodin-piperazine cocrystal improves sepsis symptoms and provides protective effects against liver and kidney damage associated with sepsis.This study offers renewed hope for natural products with broad biological activities yet hindered by physicochemical limitations by advancing co-crystallization as a viable development approach. 展开更多
关键词 CO-CRYSTALLIZATION Properties BIOAVAILABILITY SEPSIS EMODIN machine learning
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Review of machine learning tight-binding models:Route to accurate and scalable electronic simulations
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作者 Jijie Zou Zhanghao Zhouyin +1 位作者 Shishir Kumar Pandey Qiangqiang Gu 《Chinese Physics B》 2026年第1期2-12,共11页
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
关键词 machine learning tight-binding model electronic simulations
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Artificial intelligence-assisted non-metallic inclusion particle analysis in advanced steels using machine learning:A review
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作者 Gonghao Lian Xiaoming Liu +3 位作者 Qiang Wang Chunguang Shen Yi Wang Wangzhong Mu 《International Journal of Minerals,Metallurgy and Materials》 2026年第2期401-416,共16页
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
关键词 machine learning inclusion classification image analysis data analysis clean steel
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Development and validation of machine learningbased in-hospital mortality predictive models for acute aortic syndrome in emergency departments
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作者 Yuanwei Fu Yilan Yang +6 位作者 Hua Zhang Daidai Wang Qiangrong Zhai Lanfang Du Nijiati Muyesai YanxiaGao Qingbian Ma 《World Journal of Emergency Medicine》 2026年第1期43-49,共7页
BACKGROUND:This study aims to develop and validate a machine learning-based in-hospital mortality predictive model for acute aortic syndrome(AAS)in the emergency department(ED)and to derive a simplifi ed version suita... BACKGROUND:This study aims to develop and validate a machine learning-based in-hospital mortality predictive model for acute aortic syndrome(AAS)in the emergency department(ED)and to derive a simplifi ed version suitable for rapid clinical application.METHODS:In this multi-center retrospective cohort study,AAS patient data from three hospitals were analyzed.The modeling cohort included data from the First Affiliated Hospital of Zhengzhou University and the People’s Hospital of Xinjiang Uygur Autonomous Region,with Peking University Third Hospital data serving as the external test set.Four machine learning algorithms—logistic regression(LR),multilayer perceptron(MLP),Gaussian naive Bayes(GNB),and random forest(RF)—were used to develop predictive models based on 34 early-accessible clinical variables.A simplifi ed model was then derived based on fi ve key variables(Stanford type,pericardial eff usion,asymmetric peripheral arterial pulsation,decreased bowel sounds,and dyspnea)via Least Absolute Shrinkage and Selection Operator(LASSO)regression to improve ED applicability.RESULTS:A total of 929 patients were included in the modeling cohort,and 210 were included in the external test set.Four machine learning models based on 34 clinical variables were developed,achieving internal and external validation AUCs of 0.85-0.90 and 0.73-0.85,respectively.The simplifi ed model incorporating fi ve key variables demonstrated internal and external validation AUCs of 0.71-0.86 and 0.75-0.78,respectively.Both models showed robust calibration and predictive stability across datasets.CONCLUSION:Both kinds of models were built based on machine learning tools,and proved to have certain prediction performance and extrapolation. 展开更多
关键词 Emergency department Acute aortic syndrome MORTALITY Predictive model machine learning ALGORITHMS
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Machine learning models for predicting carbonation depth in fly ash concrete:performance and interpretability insights
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作者 Arslan Qayyum Khan Syed Ghulam Muhammad +1 位作者 Ali Raza Amorn Pimanmas 《Journal of Road Engineering》 2026年第1期74-90,共17页
This study aims to develop an accurate and robust machine learning model to predict the carbonation depth of fly ash concrete,overcoming the limitations of traditional predictive methods.Five ensemble-based models,suc... This study aims to develop an accurate and robust machine learning model to predict the carbonation depth of fly ash concrete,overcoming the limitations of traditional predictive methods.Five ensemble-based models,such as adaptive boosting(AdaBoost),categorical boosting(CatBoost),gradient boosting regressor(GBR),hist gradient boosting regressor(HistGBR),and extreme gradient boosting(XGBoost),were developed and optimized using 729 high-quality dataset points incorporating seven input parameters,including cement,CO_(2),exposure time,water-binder ratio,fly ash,curing time,and compressive strength.Several performance evaluation metrics were used to compare the models.The GBR model emerged as the best-performing model,based on high coefficient of determination(R^(2))values and balanced error metrics across both validation and testing datasets.While all models performed exceptionally well on the training data,GBR demonstrated superior generalization capability,with R^(2) values of 0.9438 on the validation set and 0.9310 on the testing set.Furthermore,its low mean squared error(MSE),root mean square error(RMSE),mean absolute error(MAE),and median absolute error(MdAE)confirmed its robustness and accuracy.Moreover,shapley additive explanations(SHAP)analysis enhanced the interpretability of predictions,highlighting the curing time and exposure time as the most critical drivers of carbonation depth. 展开更多
关键词 Fly ash concrete Carbonation depth machine learning Ensemble models SHAP analysis
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Toward general and reactive machine learning potentials for heterogeneous catalysis
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作者 Wei-Xue Li 《Science China Chemistry》 2026年第2期531-532,共2页
Heterogeneous catalysis is a complex,multiscale phenomenon in which reactions occur at dynamically evolving surfaces.A longstanding goal is to probe these processes to distill design rules for novel catalytic material... Heterogeneous catalysis is a complex,multiscale phenomenon in which reactions occur at dynamically evolving surfaces.A longstanding goal is to probe these processes to distill design rules for novel catalytic materials,a capability that is essential to the transition toward a sustainable future[1–3]. 展开更多
关键词 GENERAL REACTIVE machine probe processes heterogeneous catalysis transition toward sustainable future learning distill design rules
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Machine learning identifies key cells and therapeutic targets during ferroptosis after spinal cord injury
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作者 Yigang Lv Zhen Li +10 位作者 Lusen Shi Huan Jian Fan Yang Jichuan Qiu Chao Li Peng Xiao Wendong Ruan Hao Li Xueying Li Shiqing Feng Hengxing Zhou 《Neural Regeneration Research》 2026年第6期2495-2505,共11页
Ferroptosis,a type of cell death that mainly involves iron metabolism imbalance and lipid peroxidation,is strongly correlated with the phagocytic response caused by bleeding after spinal cord injury.Thus,in this study... Ferroptosis,a type of cell death that mainly involves iron metabolism imbalance and lipid peroxidation,is strongly correlated with the phagocytic response caused by bleeding after spinal cord injury.Thus,in this study,bulk RNA sequencing data(GSE47681 and GSE5296)and single-cell RNA sequencing data(GSE162610)were acquired from gene expression databases.We then conducted differential analysis and immune infiltration analysis.Atf3 and Piezo1 were identified as key ferroptosis genes through random forest and least absolute shrinkage and selection operator algorithms.Further analysis of single-cell RNA sequencing data revealed a close relationship between ferroptosis and cell types such as macrophages/microglia and their intrinsic state transition processes.Differences in transcription factor regulation and intercellular communication networks were found in ferroptosis-related cells,confirming the high expression of Atf3 and Piezo1 in these cells.Molecular docking analysis confirmed that the proteins encoded by these genes can bind cycloheximide.In a mouse model of T8 spinal cord injury,low-dose cycloheximide treatment was found to improve neurological function,decrease levels of the pro-inflammatory cytokine inducible nitric oxide synthase,and increase levels of the anti-inflammatory cytokine arginase 1.Correspondingly,the expression of the ferroptosis-related gene Gpx4 increased in macrophages/microglia,while the expression of Acsl4 decreased.Our findings reveal the important role of ferroptosis in the treatment of spinal cord injury,identify the key cell types and genes involved in ferroptosis after spinal cord injury,and validate the efficacy of potential drug therapies,pointing to new directions in the treatment of spinal cord injury. 展开更多
关键词 bioinformatic analyses bulk-RNA sequencing cellular communication analysis ferroptosis machine learning analysis neurological function RNA velocity analysis single-cell RNA sequencing therapeutic drugs transcription factor analysis
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Fuzzy k-Means Clustering-Based Machine Learning Models for LFO Damping in Electric Power System Networks
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作者 Md Shafiullah 《Computer Modeling in Engineering & Sciences》 2026年第2期803-830,共28页
Various factors,including weak tie-lines into the electric power system(EPS)networks,can lead to low-frequency oscillations(LFOs),which are considered an instant,non-threatening situation,but slow-acting and poisonous... Various factors,including weak tie-lines into the electric power system(EPS)networks,can lead to low-frequency oscillations(LFOs),which are considered an instant,non-threatening situation,but slow-acting and poisonous.Considering the challenge mentioned,this article proposes a clustering-based machine learning(ML)framework to enhance the stability of EPS networks by suppressing LFOs through real-time tuning of key power system stabilizer(PSS)parameters.To validate the proposed strategy,two distinct EPS networks are selected:the single-machine infinite-bus(SMIB)with a single-stage PSS and the unified power flow controller(UPFC)coordinated SMIB with a double-stage PSS.To generate data under various loading conditions for both networks,an efficient but offline meta-heuristic algorithm,namely the grey wolf optimizer(GWO),is used,with the loading conditions as inputs and the key PSS parameters as outputs.The generated loading conditions are then clustered using the fuzzy k-means(FKM)clustering method.Finally,the group method of data handling(GMDH)and long short-term memory(LSTM)ML models are developed for clustered data to predict PSS key parameters in real time for any loading condition.A few well-known statistical performance indices(SPI)are considered for validation and robustness of the training and testing procedure of the developed FKM-GMDH and FKM-LSTM models based on the prediction of PSS parameters.The performance of the ML models is also evaluated using three stability indices(i.e.,minimum damping ratio,eigenvalues,and time-domain simulations)after optimally tuned PSS with real-time estimated parameters under changing operating conditions.Besides,the outputs of the offline(GWO-based)metaheuristic model,proposed real-time(FKM-GMDH and FKM-LSTM)machine learning models,and previously reported literature models are compared.According to the results,the proposed methodology outperforms the others in enhancing the stability of the selected EPS networks by damping out the observed unwanted LFOs under various loading conditions. 展开更多
关键词 Fuzzy k-means clustering grey wolf optimizer group method of data handling long short-term memory low-frequency oscillation power system stabilizer single machine infinite bus STABILITY unified power flow controller
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Machine learning approaches for predicting impact sensitivity and detonation performances of energetic materials 被引量:3
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作者 Wei-Hong Liu Qi-Jun Liu +1 位作者 Fu-Sheng Liu Zheng-Tang Liu 《Journal of Energy Chemistry》 2025年第3期161-171,共11页
Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as ... Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge.Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators,potentially accelerating the development process of energetic materials.In this background,impact sensitivity,detonation performances,and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out.Four machine learning algorithms were employed to predict various properties of energetic materials,including impact sensitivity,detonation velocity,detonation pressure,and Gurney energy.Analysis of Pearson coefficients and feature importance showed that the heat of explosion,oxygen balance,decomposition products,and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials.Oxygen balance,decomposition products,and density have a strong correlation with detonation performances.Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark,the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances:oxygen balance values should be between-40%and-30%,density should range from 1.66 to 1.72 g/cm^(3),HOMO energy levels should be between-6.34 and-6.31 eV,and lipophilicity should be between-1.0 and 0.1,4.49 and 5.59.These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials,but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity. 展开更多
关键词 Energetic materials machine learning Impact sensitivity Detonation performances Feature descriptors Balancing strategy
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Predicting the efficiency of arsenic immobilization in soils by biochar using machine learning 被引量:1
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作者 Jin-Man Cao Yu-Qian Liu +5 位作者 Yan-Qing Liu Shu-Dan Xue Hai-Hong Xiong Chong-Lin Xu Qi Xu Gui-Lan Duan 《Journal of Environmental Sciences》 2025年第1期259-267,共9页
Arsenic(As)pollution in soils is a pervasive environmental issue.Biochar immobilization offers a promising solution for addressing soil As contamination.The efficiency of biochar in immobilizing As in soils primarily ... Arsenic(As)pollution in soils is a pervasive environmental issue.Biochar immobilization offers a promising solution for addressing soil As contamination.The efficiency of biochar in immobilizing As in soils primarily hinges on the characteristics of both the soil and the biochar.However,the influence of a specific property on As immobilization varies among different studies,and the development and application of arsenic passivation materials based on biochar often rely on empirical knowledge.To enhance immobilization efficiency and reduce labor and time costs,a machine learning(ML)model was employed to predict As immobilization efficiency before biochar application.In this study,we collected a dataset comprising 182 data points on As immobilization efficiency from 17 publications to construct three ML models.The results demonstrated that the random forest(RF)model outperformed gradient boost regression tree and support vector regression models in predictive performance.Relative importance analysis and partial dependence plots based on the RF model were conducted to identify the most crucial factors influencing As immobilization.These findings highlighted the significant roles of biochar application time and biochar pH in As immobilization efficiency in soils.Furthermore,the study revealed that Fe-modified biochar exhibited a substantial improvement in As immobilization.These insights can facilitate targeted biochar property design and optimization of biochar application conditions to enhance As immobilization efficiency. 展开更多
关键词 BIOCHAR Arsenic immobilization SOIL machine learning
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Machine Learning Techniques in Predicting Hot Deformation Behavior of Metallic Materials
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作者 Petr Opela Josef Walek Jaromír Kopecek 《Computer Modeling in Engineering & Sciences》 SCIE EI 2025年第1期713-732,共20页
In engineering practice,it is often necessary to determine functional relationships between dependent and independent variables.These relationships can be highly nonlinear,and classical regression approaches cannot al... In engineering practice,it is often necessary to determine functional relationships between dependent and independent variables.These relationships can be highly nonlinear,and classical regression approaches cannot always provide sufficiently reliable solutions.Nevertheless,Machine Learning(ML)techniques,which offer advanced regression tools to address complicated engineering issues,have been developed and widely explored.This study investigates the selected ML techniques to evaluate their suitability for application in the hot deformation behavior of metallic materials.The ML-based regression methods of Artificial Neural Networks(ANNs),Support Vector Machine(SVM),Decision Tree Regression(DTR),and Gaussian Process Regression(GPR)are applied to mathematically describe hot flow stress curve datasets acquired experimentally for a medium-carbon steel.Although the GPR method has not been used for such a regression task before,the results showed that its performance is the most favorable and practically unrivaled;neither the ANN method nor the other studied ML techniques provide such precise results of the solved regression analysis. 展开更多
关键词 machine learning Gaussian process regression artificial neural networks support vector machine hot deformation behavior
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Machine Learning-Based Methods for Materials Inverse Design: A Review 被引量:2
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作者 Yingli Liu Yuting Cui +4 位作者 Haihe Zhou Sheng Lei Haibin Yuan Tao Shen Jiancheng Yin 《Computers, Materials & Continua》 2025年第2期1463-1492,共30页
Finding materials with specific properties is a hot topic in materials science.Traditional materials design relies on empirical and trial-and-error methods,requiring extensive experiments and time,resulting in high co... Finding materials with specific properties is a hot topic in materials science.Traditional materials design relies on empirical and trial-and-error methods,requiring extensive experiments and time,resulting in high costs.With the development of physics,statistics,computer science,and other fields,machine learning offers opportunities for systematically discovering new materials.Especially through machine learning-based inverse design,machine learning algorithms analyze the mapping relationships between materials and their properties to find materials with desired properties.This paper first outlines the basic concepts of materials inverse design and the challenges faced by machine learning-based approaches to materials inverse design.Then,three main inverse design methods—exploration-based,model-based,and optimization-based—are analyzed in the context of different application scenarios.Finally,the applications of inverse design methods in alloys,optical materials,and acoustic materials are elaborated on,and the prospects for materials inverse design are discussed.The authors hope to accelerate the discovery of new materials and provide new possibilities for advancing materials science and innovative design methods. 展开更多
关键词 Materials inverse design machine learning target properties deep learning new materials discovery
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Geometric Accuracy Design of High Performance CNC Machine Tools:Modeling,Analysis,and Optimization 被引量:1
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作者 Liping Wang Jihui Han +3 位作者 Zihan Tang Yun Zhang Dong Wang Xuekun Li 《Chinese Journal of Mechanical Engineering》 2025年第3期29-60,共32页
The CNC machine tool is the fundamental equipment of the manufacturing industry,particularly in sectors where achieving high levels of accuracy is crucial.Geometric accuracy design is an important step in machine tool... The CNC machine tool is the fundamental equipment of the manufacturing industry,particularly in sectors where achieving high levels of accuracy is crucial.Geometric accuracy design is an important step in machine tool design and plays an essential role in determining the machining accuracy of the workpiece.Researchers have extensively studied methods to model,extract,optimize,and measure the geometric errors that affect the geometric accuracy of machine tools.This paper provides a comprehensive review of the state-of-the-art approaches and an overview of the latest research progress associated with geometric accuracy design in CNC machine tools.This paper explores the interrelated aspects of CNC machine tool accuracy design:modeling,analysis and optimization.Accuracy analysis,which includes geometric error modeling and sensitivity analysis,determines a machine tool’s output accuracy through its volumetric error model,given the known accuracy of its individual components.Conversely,accuracy allocation designs the accuracy of the machine tool components according to given output accuracy requirements to achieve optimization between the objectives of manufacturing cost,quality,reliability,and environmental impact.In addition to discussing design factors and evaluation methods,this paper outlines methods for verifying the accuracy of design results,aiming to provide a practical basis for ensuring that the designed accuracy is achieved.Finally,the challenges and future research directions in geometric accuracy design are highlighted. 展开更多
关键词 Accuracy design Geometric error Geometric accuracy machine tool
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Design of photovoltaic materials assisted by machine learning and the mechanical tunability under micro-strain 被引量:1
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作者 Ziyi Zhang Songya Wang +12 位作者 Changcheng Chen Minghong Sun Zhengjun Wang Yan Cai Yali Tuo Yuxi Du Zhao Han Xiongfei Yun Xiaoning Guan Shaohang Shi Jiangzhou Xie Gang Liu Pengfei Lu 《Journal of Materials Science & Technology》 2025年第24期108-121,共14页
In order to address the limited mechanical properties of silicon-based materials,this study designed 12 B-site mixed-valence perovskites with s^(0)+s^(2)electronic configurations.Five machine learning models were used... In order to address the limited mechanical properties of silicon-based materials,this study designed 12 B-site mixed-valence perovskites with s^(0)+s^(2)electronic configurations.Five machine learning models were used to predict the bandgap values of candidate materials,and Cs_(2)AgSbCl_(6)was selected as the optimal light absorbing material.By using first principles calculations under stress and strain,it has been determined that micro-strains can achieve the goals of reducing material strength,enhancing flexible characteristics,directionally adjusting the anisotropy of stress concentration areas,improving thermodynamic properties,and enhancing sound insulation ability without significantly affecting photoelectric properties.According to device simulations,tensile strain can effectively increase the theoretical efficiency of solar cells.This work elucidates the mechanism of mechanical property changes under stress and strain,offering insights into new materials for solar energy conversion and accelerating the development of high-performance photovoltaic devices. 展开更多
关键词 Double perovskite machine learning Micro-strain Mechanical properties Photovoltaic applications
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Machine Learning of Element Geochemical Anomalies for Adverse Geology Identification in Tunnels 被引量:1
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作者 Ruiqi Shao Peng Lin +2 位作者 Zhenhao Xu Fumin Liu Yilong Liu 《Journal of Earth Science》 2025年第3期1261-1276,共16页
Geological analysis,despite being a long-term method for identifying adverse geology in tunnels,has significant limitations due to its reliance on empirical analysis.The quantitative aspects of geochemical anomalies a... Geological analysis,despite being a long-term method for identifying adverse geology in tunnels,has significant limitations due to its reliance on empirical analysis.The quantitative aspects of geochemical anomalies associated with adverse geology provide a novel strategy for addressing these limitations.However,statistical methods for identifying geochemical anomalies are insufficient for tunnel engineering.In contrast,data mining techniques such as machine learning have demonstrated greater efficacy when applied to geological data.Herein,a method for identifying adverse geology using machine learning of geochemical anomalies is proposed.The method was identified geochemical anomalies in tunnel that were not identified by statistical methods.We by employing robust factor analysis and self-organizing maps to reduce the dimensionality of geochemical data and extract the anomaly elements combination(AEC).Using the AEC sample data,we trained an isolation forest model to identify the multi-element anomalies,successfully.We analyzed the adverse geological features based the multi-element anomalies.This study,therefore,extends the traditional approach of geological analysis in tunnels and demonstrates that machine learning is an effective tool for intelligent geological analysis.Correspondingly,the research offers new insights regarding the adverse geology and the prevention of hazards during the construction of tunnels and underground engineering projects. 展开更多
关键词 adverse geology TUNNEls geochemical anomalies machine learning Isolation Forest dimensional reduction
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Prediction of Shear Bond Strength of Asphalt Concrete Pavement Using Machine Learning Models and Grid Search Optimization Technique
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作者 Quynh-Anh Thi Bui Dam Duc Nguyen +2 位作者 Hiep Van Le Indra Prakash Binh Thai Pham 《Computer Modeling in Engineering & Sciences》 SCIE EI 2025年第1期691-712,共22页
Determination of Shear Bond strength(SBS)at interlayer of double-layer asphalt concrete is crucial in flexible pavement structures.The study used three Machine Learning(ML)models,including K-Nearest Neighbors(KNN),Ext... Determination of Shear Bond strength(SBS)at interlayer of double-layer asphalt concrete is crucial in flexible pavement structures.The study used three Machine Learning(ML)models,including K-Nearest Neighbors(KNN),Extra Trees(ET),and Light Gradient Boosting Machine(LGBM),to predict SBS based on easily determinable input parameters.Also,the Grid Search technique was employed for hyper-parameter tuning of the ML models,and cross-validation and learning curve analysis were used for training the models.The models were built on a database of 240 experimental results and three input variables:temperature,normal pressure,and tack coat rate.Model validation was performed using three statistical criteria:the coefficient of determination(R2),the Root Mean Square Error(RMSE),and the mean absolute error(MAE).Additionally,SHAP analysis was also used to validate the importance of the input variables in the prediction of the SBS.Results show that these models accurately predict SBS,with LGBM providing outstanding performance.SHAP(Shapley Additive explanation)analysis for LGBM indicates that temperature is the most influential factor on SBS.Consequently,the proposed ML models can quickly and accurately predict SBS between two layers of asphalt concrete,serving practical applications in flexible pavement structure design. 展开更多
关键词 Shear bond asphalt pavement grid search OPTIMIZATION machine learning
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Leveraging machine learning for accelerated materials innovation in lithium-ion battery:A review 被引量:1
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作者 Rushuai Li Wanyu Zhao +4 位作者 Ruimin Li Chaolun Gan Li Chen Zhitao Wang Xiaowei Yang 《Journal of Energy Chemistry》 2025年第7期44-62,共19页
As energy demands continue to rise in modern society,the development of high-performance lithium-ion batteries(LIBs)has become crucial.However,traditional research methods of material science face challenges such as l... As energy demands continue to rise in modern society,the development of high-performance lithium-ion batteries(LIBs)has become crucial.However,traditional research methods of material science face challenges such as lengthy timelines and complex processes.In recent years,the integration of machine learning(ML)in LIB materials,including electrolytes,solid-state electrolytes,and electrodes,has yielded remarkable achievements.This comprehensive review explores the latest applications of ML in predicting LIB material performance,covering the core principles and recent advancements in three key inverse material design strategies:high-throughput virtual screening,global optimization,and generative models.These strategies have played a pivotal role in fostering LIB material innovations.Meanwhile,the paper briefly discusses the challenges associated with applying ML to materials research and offers insights and directions for future research. 展开更多
关键词 Lithium-ion battery machine learning Material screening Performance prediction Inverse design Generative model
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Comparative analysis of machine learning and statistical models for cotton yield prediction in major growing districts of Karnataka,India 被引量:1
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作者 THIMMEGOWDA M.N. MANJUNATHA M.H. +4 位作者 LINGARAJ H. SOUMYA D.V. JAYARAMAIAH R. SATHISHA G.S. NAGESHA L. 《Journal of Cotton Research》 2025年第1期40-60,共21页
Background Cotton is one of the most important commercial crops after food crops,especially in countries like India,where it’s grown extensively under rainfed conditions.Because of its usage in multiple industries,su... Background Cotton is one of the most important commercial crops after food crops,especially in countries like India,where it’s grown extensively under rainfed conditions.Because of its usage in multiple industries,such as textile,medicine,and automobile industries,it has greater commercial importance.The crop’s performance is greatly influenced by prevailing weather dynamics.As climate changes,assessing how weather changes affect crop performance is essential.Among various techniques that are available,crop models are the most effective and widely used tools for predicting yields.Results This study compares statistical and machine learning models to assess their ability to predict cotton yield across major producing districts of Karnataka,India,utilizing a long-term dataset spanning from 1990 to 2023 that includes yield and weather factors.The artificial neural networks(ANNs)performed superiorly with acceptable yield deviations ranging within±10%during both vegetative stage(F1)and mid stage(F2)for cotton.The model evaluation metrics such as root mean square error(RMSE),normalized root mean square error(nRMSE),and modelling efficiency(EF)were also within the acceptance limits in most districts.Furthermore,the tested ANN model was used to assess the importance of the dominant weather factors influencing crop yield in each district.Specifically,the use of morning relative humidity as an individual parameter and its interaction with maximum and minimum tempera-ture had a major influence on cotton yield in most of the yield predicted districts.These differences highlighted the differential interactions of weather factors in each district for cotton yield formation,highlighting individual response of each weather factor under different soils and management conditions over the major cotton growing districts of Karnataka.Conclusions Compared with statistical models,machine learning models such as ANNs proved higher efficiency in forecasting the cotton yield due to their ability to consider the interactive effects of weather factors on yield forma-tion at different growth stages.This highlights the best suitability of ANNs for yield forecasting in rainfed conditions and for the study on relative impacts of weather factors on yield.Thus,the study aims to provide valuable insights to support stakeholders in planning effective crop management strategies and formulating relevant policies. 展开更多
关键词 COTTON machine learning models Statistical models Yield forecast Artificial neural network Weather variables
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Predicting Academic Performance Levels in Higher Education:A Data-Driven Enhanced Fruit Fly Optimizer Kernel Extreme Learning Machine Model 被引量:1
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作者 Zhengfei Ye Yongli Yang +1 位作者 Yi Chen Huiling Chen 《Journal of Bionic Engineering》 2025年第4期1940-1962,共23页
Teacher–student relationships play a vital role in improving college students’academic performance and the quality of higher education.However,empirical studies with substantial data-driven insights remain limited.T... Teacher–student relationships play a vital role in improving college students’academic performance and the quality of higher education.However,empirical studies with substantial data-driven insights remain limited.To address this gap,this study collected 3278 questionnaires from seven universities across four provinces in China to analyze the key factors affecting college students’academic performance.A machine learning framework,CQFOA-KELM,was developed by enhancing the Fruit Fly Optimization Algorithm(FOA)with Covariance Matrix Adaptation Evolution Strategy(CMAES)and Quadratic Approximation(QA).CQFOA significantly improved population diversity and was validated on the IEEE CEC2017 benchmark functions.The CQFOA-KELM model achieved an accuracy of 98.15%and a sensitivity of 98.53%in predicting college students’academic performance.Additionally,it effectively identified the key factors influencing academic performance through the feature selection process. 展开更多
关键词 Academic achievement machine learning Teacher-student relationships Swarm intelligence algorithms Fruit fly optimization algorithm
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