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Prediction and optimization of flue pressure in sintering process based on SHAP 被引量:1
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作者 Mingyu Wang Jue Tang +2 位作者 Mansheng Chu Quan Shi Zhen Zhang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第2期346-359,共14页
Sinter is the core raw material for blast furnaces.Flue pressure,which is an important state parameter,affects sinter quality.In this paper,flue pressure prediction and optimization were studied based on the shapley a... Sinter is the core raw material for blast furnaces.Flue pressure,which is an important state parameter,affects sinter quality.In this paper,flue pressure prediction and optimization were studied based on the shapley additive explanation(SHAP)to predict the flue pressure and take targeted adjustment measures.First,the sintering process data were collected and processed.A flue pressure prediction model was then constructed after comparing different feature selection methods and model algorithms using SHAP+extremely random-ized trees(ET).The prediction accuracy of the model within the error range of±0.25 kPa was 92.63%.SHAP analysis was employed to improve the interpretability of the prediction model.The effects of various sintering operation parameters on flue pressure,the relation-ship between the numerical range of key operation parameters and flue pressure,the effect of operation parameter combinations on flue pressure,and the prediction process of the flue pressure prediction model on a single sample were analyzed.A flue pressure optimization module was also constructed and analyzed when the prediction satisfied the judgment conditions.The operating parameter combination was then pushed.The flue pressure was increased by 5.87%during the verification process,achieving a good optimization effect. 展开更多
关键词 sintering process flue pressure shapley additive explanation prediction OPTIMIZATION
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Remaining Life Prediction Method for Photovoltaic Modules Based on Two-Stage Wiener Process 被引量:1
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作者 Jie Lin Hongchi Shen +1 位作者 Tingting Pei Yan Wu 《Energy Engineering》 EI 2025年第1期331-347,共17页
Photovoltaic (PV) modules, as essential components of solar power generation systems, significantly influence unitpower generation costs.The service life of these modules directly affects these costs. Over time, the p... Photovoltaic (PV) modules, as essential components of solar power generation systems, significantly influence unitpower generation costs.The service life of these modules directly affects these costs. Over time, the performanceof PV modules gradually declines due to internal degradation and external environmental factors.This cumulativedegradation impacts the overall reliability of photovoltaic power generation. This study addresses the complexdegradation process of PV modules by developing a two-stage Wiener process model. This approach accountsfor the distinct phases of degradation resulting from module aging and environmental influences. A powerdegradation model based on the two-stage Wiener process is constructed to describe individual differences inmodule degradation processes. To estimate the model parameters, a combination of the Expectation-Maximization(EM) algorithm and the Bayesian method is employed. Furthermore, the Schwarz Information Criterion (SIC) isutilized to identify critical change points in PV module degradation trajectories. To validate the universality andeffectiveness of the proposed method, a comparative analysis is conducted against other established life predictiontechniques for PV modules. 展开更多
关键词 Photovoltaic modules DEGRADATION stochastic processes lifetime prediction
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Dynamic intelligent prediction approach for landslide displacement based on biological growth models and CNN-LSTM 被引量:2
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作者 WANG Ziqian FANG Xiangwei +3 位作者 ZHANG Wengang WANG Luqi WANG Kai CHEN Chao 《Journal of Mountain Science》 2025年第1期71-88,共18页
Influenced by complex external factors,the displacement-time curve of reservoir landslides demonstrates both short-term and long-term diversity and dynamic complexity.It is difficult for existing methods,including Reg... Influenced by complex external factors,the displacement-time curve of reservoir landslides demonstrates both short-term and long-term diversity and dynamic complexity.It is difficult for existing methods,including Regression models and Neural network models,to perform multi-characteristic coupled displacement prediction because they fail to consider landslide creep characteristics.This paper integrates the creep characteristics of landslides with non-linear intelligent algorithms and proposes a dynamic intelligent landslide displacement prediction method based on a combination of the Biological Growth model(BG),Convolutional Neural Network(CNN),and Long ShortTerm Memory Network(LSTM).This prediction approach improves three different biological growth models,thereby effectively extracting landslide creep characteristic parameters.Simultaneously,it integrates external factors(rainfall and reservoir water level)to construct an internal and external comprehensive dataset for data augmentation,which is input into the improved CNN-LSTM model.Thereafter,harnessing the robust feature extraction capabilities and spatial translation invariance of CNN,the model autonomously captures short-term local fluctuation characteristics of landslide displacement,and combines LSTM's efficient handling of long-term nonlinear temporal data to improve prediction performance.An evaluation of the Liangshuijing landslide in the Three Gorges Reservoir Area indicates that BG-CNN-LSTM exhibits high prediction accuracy,excellent generalization capabilities when dealing with various types of landslides.The research provides an innovative approach to achieving the whole-process,realtime,high-precision displacement predictions for multicharacteristic coupled landslides. 展开更多
关键词 Reservoir landslides Displacement prediction CNN LSTM Biological growth model
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Efficient Spatio-Temporal Predictive Learning for Massive MIMO CSI Prediction 被引量:2
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作者 CHENG Jiaming CHEN Wei +1 位作者 LI Lun AI Bo 《ZTE Communications》 2025年第1期3-10,共8页
Accurate channel state information(CSI)is crucial for 6G wireless communication systems to accommodate the growing demands of mobile broadband services.In massive multiple-input multiple-output(MIMO)systems,traditiona... Accurate channel state information(CSI)is crucial for 6G wireless communication systems to accommodate the growing demands of mobile broadband services.In massive multiple-input multiple-output(MIMO)systems,traditional CSI feedback approaches face challenges such as performance degradation due to feedback delay and channel aging caused by user mobility.To address these issues,we propose a novel spatio-temporal predictive network(STPNet)that jointly integrates CSI feedback and prediction modules.STPNet employs stacked Inception modules to learn the spatial correlation and temporal evolution of CSI,which captures both the local and the global spatiotemporal features.In addition,the signal-to-noise ratio(SNR)adaptive module is designed to adapt flexibly to diverse feedback channel conditions.Simulation results demonstrate that STPNet outperforms existing channel prediction methods under various channel conditions. 展开更多
关键词 massive MIMO deep learning CSI prediction CSI feedback
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Data driven prediction of fragment velocity distribution under explosive loading conditions 被引量:2
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作者 Donghwan Noh Piemaan Fazily +4 位作者 Songwon Seo Jaekun Lee Seungjae Seo Hoon Huh Jeong Whan Yoon 《Defence Technology(防务技术)》 2025年第1期109-119,共11页
This study presents a machine learning-based method for predicting fragment velocity distribution in warhead fragmentation under explosive loading condition.The fragment resultant velocities are correlated with key de... This study presents a machine learning-based method for predicting fragment velocity distribution in warhead fragmentation under explosive loading condition.The fragment resultant velocities are correlated with key design parameters including casing dimensions and detonation positions.The paper details the finite element analysis for fragmentation,the characterizations of the dynamic hardening and fracture models,the generation of comprehensive datasets,and the training of the ANN model.The results show the influence of casing dimensions on fragment velocity distributions,with the tendencies indicating increased resultant velocity with reduced thickness,increased length and diameter.The model's predictive capability is demonstrated through the accurate predictions for both training and testing datasets,showing its potential for the real-time prediction of fragmentation performance. 展开更多
关键词 Data driven prediction Dynamic fracture model Dynamic hardening model FRAGMENTATION Fragment velocity distribution High strain rate Machine learning
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A Nonlinear Theory and Technology for Reducing the Uncertainty of High-Impact Ocean-Atmosphere Event Prediction 被引量:2
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作者 Mu MU Wansuo DUAN 《Advances in Atmospheric Sciences》 2025年第10期1981-1995,共15页
In this article,our nonlinear theory and technology for reducing the uncertainties of high-impact ocean‒atmosphere event predictions,with the conditional nonlinear optimal perturbation(CNOP)method as its core,are revi... In this article,our nonlinear theory and technology for reducing the uncertainties of high-impact ocean‒atmosphere event predictions,with the conditional nonlinear optimal perturbation(CNOP)method as its core,are reviewed,and the“spring predictability barrier”problem for El Nino‒Southern Oscillation events and targeted observation issues for tropical cyclone forecasts are taken as two representative examples.Nonlinear theory reveals that initial errors of particular spatial structures,environmental conditions,and nonlinear processes contribute to significant prediction errors,whereas nonlinear technology provides a pioneering approach for reducing observational and forecast errors via targeted observations through the application of the CNOP method.Follow-up research further validates the scientific rigor of the theory in revealing the nonlinear mechanism of significant prediction errors,and relevant practical field campaigns for targeted observations verify the effectiveness of the technology in reducing prediction uncertainties.The CNOP method has achieved international recognition;furthermore,its applications further extend to ensemble forecasts for weather and climate and further enrich the nonlinear technology for reducing prediction uncertainties.It is expected that this nonlinear theory and technology will play a considerably important role in reducing prediction uncertainties for high-impact weather and climate events. 展开更多
关键词 PREDICTABILITY optimal perturbation error growth targeted observation ensemble forecast
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Disease Burden and Trends of COPD in the Asia-Pacific Region(1990-2019)and Predictions to 2034 被引量:1
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作者 Jing Ma Hong Mi 《Biomedical and Environmental Sciences》 2025年第5期557-570,共14页
Objective The Asia-Pacific region has a high chronic obstructive pulmonary disease(COPD)burden,but studies on its trends are limited.Using the Global Burden of Disease(GBD)2019 data,we analyzed COPD trends in 36 count... Objective The Asia-Pacific region has a high chronic obstructive pulmonary disease(COPD)burden,but studies on its trends are limited.Using the Global Burden of Disease(GBD)2019 data,we analyzed COPD trends in 36 countries and territories from 1990 to 2019 and predicted future incidence trends through 2034.Methods COPD data by age and sex from the GBD 2019 database were analyzed for incidence,prevalence,mortality,and disability-adjusted life years(DALY)rates from 1990 to 2019.Joinpoint regression identified significant annual trends,and age-standardized incidence rates were predicted through 2034 using age-period-cohort models.Results The incidence,prevalence,mortality,and disease burden of COPD have been decreasing,and the incidence rates will continue to decrease or remain stable until 2034 in most selected countries and territories,except for a few Southeastern Asian countries.The Lao People’s Democratic Republic and Vietnam are projected to experience an increase in COPD incidence from 165.3 per 100,000 in 2019 to 177 per 100,000 in 2034 and from 179.9 per 100,000 in 2019 to 192.5 per 100,000 in 2034,respectively.Older males had a higher incidence than any other sex or age group.The sex gap in incidence rates continues to widen,though it is smaller and less significant in the younger age group than in those in the older one.Conclusion COPD rates are expected to decline until 2034 but remain a health risk,especially in countries with rising rates.Urgent action on tobacco control,air pollution,and public education is needed. 展开更多
关键词 COPD ASIA-PACIFIC INCIDENCE Disease burden TRENDS prediction
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Multi-view BLUP:a promising solution for post-omics data integrative prediction 被引量:1
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作者 Bingjie Wu Huijuan Xiong +3 位作者 Lin Zhuo Yingjie Xiao Jianbing Yan Wenyu Yang 《Journal of Genetics and Genomics》 2025年第6期839-847,共9页
Phenotypic prediction is a promising strategy for accelerating plant breeding.Data from multiple sources(called multi-view data)can provide complementary information to characterize a biological object from various as... Phenotypic prediction is a promising strategy for accelerating plant breeding.Data from multiple sources(called multi-view data)can provide complementary information to characterize a biological object from various aspects.By integrating multi-view information into phenotypic prediction,a multi-view best linear unbiased prediction(MVBLUP)method is proposed in this paper.To measure the importance of multiple data views,the differential evolution algorithm with an early stopping mechanism is used,by which we obtain a multi-view kinship matrix and then incorporate it into the BLUP model for phenotypic prediction.To further illustrate the characteristics of MVBLUP,we perform the empirical experiments on four multi-view datasets in different crops.Compared to the single-view method,the prediction accuracy of the MVBLUP method has improved by 0.038–0.201 on average.The results demonstrate that the MVBLUP is an effective integrative prediction method for multi-view data. 展开更多
关键词 Multi-view data Best linear unbiased prediction Similarity function Phenotype prediction Differential evolution algorithm
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A New Perspective on the Prediction and Treatment of Stroke:The Role of Uric Acid 被引量:1
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作者 Bingrui Zhu Xiaobin Huang +7 位作者 Jiahao Zhang Xiaoyu Wang Sixuan Tian Tiantong Zhan Yibo Liu Haocheng Zhang Sheng Chen Cheng Yu 《Neuroscience Bulletin》 2025年第3期486-500,共15页
Stroke,a major cerebrovascular disease,has high morbidity and mortality.Effective methods to reduce the risk and improve the prognosis are lacking.Currently,uric acid(UA)is associated with the pathological mechanism,p... Stroke,a major cerebrovascular disease,has high morbidity and mortality.Effective methods to reduce the risk and improve the prognosis are lacking.Currently,uric acid(UA)is associated with the pathological mechanism,prognosis,and therapy of stroke.UA plays pro/anti-oxidative and pro-inflammatory roles in vivo.The specific role of UA in stroke,which may have both neuroprotective and damaging effects,remains unclear.There is a U-shaped association between serum uric acid(SUA)levels and ischemic stroke(IS).UA therapy provides neuroprotection during reperfusion therapy for acute ischemic stroke(AIS).Urate-lowering therapy(ULT)plays a protective role in IS with hyperuricemia or gout.SUA levels are associated with the cerebrovascular injury mechanism,risk,and outcomes of hemorrhagic stroke.In this review,we summarize the current research on the role of UA in stroke,providing potential targets for its prediction and treatment. 展开更多
关键词 Uric acid STROKE prediction Treatment Uric acid therapy Urate-lowering therapy
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In silico prediction of pK_(a) values using explainable deep learning methods 被引量:1
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作者 Chen Yang Changda Gong +4 位作者 Zhixing Zhang Jiaojiao Fang Weihua Li Guixia Liu Yun Tang 《Journal of Pharmaceutical Analysis》 2025年第6期1264-1276,共13页
Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug rese... Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug research.Given the rapid and accurate characteristics of computational methods,their role in predicting drug properties is increasingly important.Although many pK_(a) prediction models currently exist,they often focus on enhancing model precision while neglecting interpretability.In this study,we present GraFpKa,a pK_(a) prediction model using graph neural networks(GNNs)and molecular finger-prints.The results show that our acidic and basic models achieved mean absolute errors(MAEs)of 0.621 and 0.402,respectively,on the test set,demonstrating good predictive performance.Notably,to improve interpretability,GraFpKa also incorporates Integrated Gradients(IGs),providing a clearer visual description of the atoms significantly affecting the pK_(a) values.The high reliability and interpretability of GraFpKa ensure accurate pKa predictions while also facilitating a deeper understanding of the relation-ship between molecular structure and pK_(a) values,making it a valuable tool in the field of pK_(a) prediction. 展开更多
关键词 pK_(a) Deep learning Graph neural networks AttentiveFP Integrated gradients In silico prediction
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Preoperative prediction of textbook outcome in intrahepatic cholangiocarcinoma by interpretable machine learning: A multicenter cohort study 被引量:1
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作者 Ting-Feng Huang Cong Luo +9 位作者 Luo-Bin Guo Hong-Zhi Liu Jiang-Tao Li Qi-Zhu Lin Rui-Lin Fan Wei-Ping Zhou Jing-Dong Li Ke-Can Lin Shi-Chuan Tang Yong-Yi Zeng 《World Journal of Gastroenterology》 2025年第11期33-45,共13页
BACKGROUND To investigate the preoperative factors influencing textbook outcomes(TO)in Intrahepatic cholangiocarcinoma(ICC)patients and evaluate the feasibility of an interpretable machine learning model for preoperat... BACKGROUND To investigate the preoperative factors influencing textbook outcomes(TO)in Intrahepatic cholangiocarcinoma(ICC)patients and evaluate the feasibility of an interpretable machine learning model for preoperative prediction of TO,we developed a machine learning model for preoperative prediction of TO and used the SHapley Additive exPlanations(SHAP)technique to illustrate the prediction process.AIM To analyze the factors influencing textbook outcomes before surgery and to establish interpretable machine learning models for preoperative prediction.METHODS A total of 376 patients diagnosed with ICC were retrospectively collected from four major medical institutions in China,covering the period from 2011 to 2017.Logistic regression analysis was conducted to identify preoperative variables associated with achieving TO.Based on these variables,an EXtreme Gradient Boosting(XGBoost)machine learning prediction model was constructed using the XGBoost package.The SHAP(package:Shapviz)algorithm was employed to visualize each variable's contribution to the model's predictions.Kaplan-Meier survival analysis was performed to compare the prognostic differences between the TO-achieving and non-TO-achieving groups.RESULTS Among 376 patients,287 were included in the training group and 89 in the validation group.Logistic regression identified the following preoperative variables influencing TO:Child-Pugh classification,Eastern Cooperative Oncology Group(ECOG)score,hepatitis B,and tumor size.The XGBoost prediction model demonstrated high accuracy in internal validation(AUC=0.8825)and external validation(AUC=0.8346).Survival analysis revealed that the disease-free survival rates for patients achieving TO at 1,2,and 3 years were 64.2%,56.8%,and 43.4%,respectively.CONCLUSION Child-Pugh classification,ECOG score,hepatitis B,and tumor size are preoperative predictors of TO.In both the training group and the validation group,the machine learning model had certain effectiveness in predicting TO before surgery.The SHAP algorithm provided intuitive visualization of the machine learning prediction process,enhancing its interpretability. 展开更多
关键词 Intrahepatic cholangiocarcinoma Textbook outcome Interpretable machine learning prediction PROGNOSIS
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Therapeutic effect of mifepristone combined with misoprostol in early missed miscarriage and prediction of incomplete abortion 被引量:1
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作者 Bai Xue Li Tianjie Lin Qing 《Asian pacific Journal of Reproduction》 2025年第2期77-83,共7页
Objective:To compare the clinical efficacy of mifepristone-misoprostol medical management versus surgical curettage for first-trimester missed miscarriage,and to establish evidence-based sonographic cutoff values pred... Objective:To compare the clinical efficacy of mifepristone-misoprostol medical management versus surgical curettage for first-trimester missed miscarriage,and to establish evidence-based sonographic cutoff values predictive of incomplete abortion requiring surgical intervention.Methods:We retrospectively analyzed a cohort of 702 women diagnosed with first-trimester missed miscarriage between January 2020 and May 2023.Demographic characteristics and ultrasound parameters were systematically recorded.Receiver operating characteristic(ROC)curve analysis was performed to establish optimal sonographic cutoff values for predicting incomplete abortion requiring surgical intervention.Results:146 patients received medical treatment(mifepristone and misoprostol)and 556 underwent surgical curettage.At the 1-month follow-up,the medical group showed significantly greater endometrial thickness and longer postoperative bleeding duration than the surgical group(P<0.05).The menstrual volume reduction rate(23.56%)was significantly lower in the medical group than in the surgical group.The incomplete abortion rate was higher in the medical group(17.12%,25/146)than in the surgical group(2.88%,16/556).Among the medical group,14 patients(9.59%)required curettage due to incomplete abortion,while 11 cases resolved spontaneously after prolonged medication.ROC curve analysis identified two cut-off values indicating the need for surgical intervention:endometrial thickness>1.21 cm at 24 h post-medical abortion,and residual mass diameter>0.95 cm at 7 days post-medical abortion.Conclusions:Medical management of first-trimester missed miscarriage using mifepristone-misoprostol demonstrates comparable efficacy to surgical curettage.An endometrial thickness>1.21 cm at 24 h or residual tissue diameter>0.95 cm at 7 days post-medical abortion should prompt consideration of incomplete abortion. 展开更多
关键词 Missed miscarriage Medication abortion Incomplete miscarriage prediction
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Optimization method of conditioning factors selection and combination for landslide susceptibility prediction 被引量:1
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作者 Faming Huang Keji Liu +4 位作者 Shuihua Jiang Filippo Catani Weiping Liu Xuanmei Fan Jinsong Huang 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第2期722-746,共25页
Landslide susceptibility prediction(LSP)is significantly affected by the uncertainty issue of landslide related conditioning factor selection.However,most of literature only performs comparative studies on a certain c... Landslide susceptibility prediction(LSP)is significantly affected by the uncertainty issue of landslide related conditioning factor selection.However,most of literature only performs comparative studies on a certain conditioning factor selection method rather than systematically study this uncertainty issue.Targeted,this study aims to systematically explore the influence rules of various commonly used conditioning factor selection methods on LSP,and on this basis to innovatively propose a principle with universal application for optimal selection of conditioning factors.An'yuan County in southern China is taken as example considering 431 landslides and 29 types of conditioning factors.Five commonly used factor selection methods,namely,the correlation analysis(CA),linear regression(LR),principal component analysis(PCA),rough set(RS)and artificial neural network(ANN),are applied to select the optimal factor combinations from the original 29 conditioning factors.The factor selection results are then used as inputs of four types of common machine learning models to construct 20 types of combined models,such as CA-multilayer perceptron,CA-random forest.Additionally,multifactor-based multilayer perceptron random forest models that selecting conditioning factors based on the proposed principle of“accurate data,rich types,clear significance,feasible operation and avoiding duplication”are constructed for comparisons.Finally,the LSP uncertainties are evaluated by the accuracy,susceptibility index distribution,etc.Results show that:(1)multifactor-based models have generally higher LSP performance and lower uncertainties than those of factors selection-based models;(2)Influence degree of different machine learning on LSP accuracy is greater than that of different factor selection methods.Conclusively,the above commonly used conditioning factor selection methods are not ideal for improving LSP performance and may complicate the LSP processes.In contrast,a satisfied combination of conditioning factors can be constructed according to the proposed principle. 展开更多
关键词 Landslide susceptibility prediction Conditioning factors selection Support vector machine Random forest Rough set Artificial neural network
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Short-Term Photovoltaic Power Prediction Based on Multi-Stage Temporal Feature Learning 被引量:1
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作者 Qiang Wang Hao Cheng +4 位作者 Wenrui Zhang Guangxi Li Fan Xu Dianhao Chen Haixiang Zang 《Energy Engineering》 2025年第2期747-764,共18页
Harnessing solar power is essential for addressing the dual challenges of global warming and the depletion of traditional energy sources.However,the fluctuations and intermittency of photovoltaic(PV)power pose challen... Harnessing solar power is essential for addressing the dual challenges of global warming and the depletion of traditional energy sources.However,the fluctuations and intermittency of photovoltaic(PV)power pose challenges for its extensive incorporation into power grids.Thus,enhancing the precision of PV power prediction is particularly important.Although existing studies have made progress in short-term prediction,issues persist,particularly in the underutilization of temporal features and the neglect of correlations between satellite cloud images and PV power data.These factors hinder improvements in PV power prediction performance.To overcome these challenges,this paper proposes a novel PV power prediction method based on multi-stage temporal feature learning.First,the improved LSTMand SA-ConvLSTMare employed to extract the temporal feature of PV power and the spatial-temporal feature of satellite cloud images,respectively.Subsequently,a novel hybrid attention mechanism is proposed to identify the interplay between the two modalities,enhancing the capacity to focus on the most relevant features.Finally,theTransformermodel is applied to further capture the short-termtemporal patterns and long-term dependencies within multi-modal feature information.The paper also compares the proposed method with various competitive methods.The experimental results demonstrate that the proposed method outperforms the competitive methods in terms of accuracy and reliability in short-term PV power prediction. 展开更多
关键词 Photovoltaic power prediction satellite cloud image LSTM-Transformer attention mechanism
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Fingerprint-enhanced hierarchical molecular graph neural networks for property prediction 被引量:1
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作者 Shuo Liu Mengyun Chen +1 位作者 Xiaojun Yao Huanxiang Liu 《Journal of Pharmaceutical Analysis》 2025年第6期1311-1320,共10页
Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based me... Accurate prediction of molecular properties is crucial for selecting compounds with ideal properties and reducing the costs and risks of trials.Traditional methods based on manually crafted features and graph-based methods have shown promising results in molecular property prediction.However,traditional methods rely on expert knowledge and often fail to capture the complex structures and interactions within molecules.Similarly,graph-based methods typically overlook the chemical structure and function hidden in molecular motifs and struggle to effectively integrate global and local molecular information.To address these limitations,we propose a novel fingerprint-enhanced hierarchical graph neural network(FH-GNN)for molecular property prediction that simultaneously learns information from hierarchical molecular graphs and fingerprints.The FH-GNN captures diverse hierarchical chemical information by applying directed message-passing neural networks(D-MPNN)on a hierarchical molecular graph that integrates atomic-level,motif-level,and graph-level information along with their relationships.Addi-tionally,we used an adaptive attention mechanism to balance the importance of hierarchical graphs and fingerprint features,creating a comprehensive molecular embedding that integrated hierarchical mo-lecular structures with domain knowledge.Experiments on eight benchmark datasets from MoleculeNet showed that FH-GNN outperformed the baseline models in both classification and regression tasks for molecular property prediction,validating its capability to comprehensively capture molecular informa-tion.By integrating molecular structure and chemical knowledge,FH-GNN provides a powerful tool for the accurate prediction of molecular properties and aids in the discovery of potential drug candidates. 展开更多
关键词 Deep learning Hierarchical molecular graph Molecular fingerprint Molecular property prediction Directed message-passing neural network
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Development and Validation of Machine Learning Models for Lung Cancer Risk Prediction in High-Risk Population: A Retrospective Cohort Study 被引量:1
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作者 Yu Su Haoran Zhan +5 位作者 Shangyao Li Yitong Lu Ruhuan Ma Hai Fang Tingting Xu Yu Tian 《Biomedical and Environmental Sciences》 2025年第4期501-505,共5页
Lung cancer, the leading cause of cancer deaths worldwide and in China, has a 19.7% five-year survival rate due to terminal-stage diagnosis^([1-3]).Although low-dose computed tomography(CT) screening can reduce mortal... Lung cancer, the leading cause of cancer deaths worldwide and in China, has a 19.7% five-year survival rate due to terminal-stage diagnosis^([1-3]).Although low-dose computed tomography(CT) screening can reduce mortality, high false positive rates can create economic and psychological burdens. 展开更多
关键词 lung cancer retrospective cohort study lung cancer risk prediction low dose computed tomography high risk population MORTALITY machine learning false positive rates
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A novel constitutive model for two-stage creep aging process of 7B50 aluminum alloy and its application in springback prediction 被引量:1
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作者 Ling-zhi XU Can-yu TONG +7 位作者 Chang-zhi LIU Li-hua ZHAN Ming-hui HUANG You-liang YANG Dong-yang YAN Jian-hua YIN Hui XIA Yong-qian XU 《Transactions of Nonferrous Metals Society of China》 2025年第3期734-748,共15页
A new unified constitutive model was developed to predict the two-stage creep-aging(TSCA)behavior of Al-Zn-Mg-Cu alloys.The particular bimodal precipitation feature was analyzed and modeled by considering the primary ... A new unified constitutive model was developed to predict the two-stage creep-aging(TSCA)behavior of Al-Zn-Mg-Cu alloys.The particular bimodal precipitation feature was analyzed and modeled by considering the primary micro-variables evolution at different temperatures and their interaction.The dislocation density was incorporated into the model to capture the effect of creep deformation on precipitation.Quantitative transmission electron microscopy and experimental data obtained from a previous study were used to calibrate the model.Subsequently,the developed constitutive model was implemented in the finite element(FE)software ABAQUS via the user subroutines for TSCA process simulation and the springback prediction of an integral panel.A TSCA test was performed.The result shows that the maximum radius deviation between the formed plate and the simulation results is less than 0.4 mm,thus validating the effectiveness of the developed constitutive model and FE model. 展开更多
关键词 two-stage creep aging process bimodal precipitation constitutive modeling springback prediction Al−Zn−Mg−Cu alloy
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A disentangled generative model for improved drug response prediction in patients via sample synthesis 被引量:1
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作者 Kunshi Li Bihan Shen +6 位作者 Fangyoumin Feng Xueliang Li Yue Wang Na Feng Zhixuan Tang Liangxiao Ma Hong Li 《Journal of Pharmaceutical Analysis》 2025年第6期1226-1237,共12页
Personalized drug response prediction from molecular data is an important challenge in precision medicine for treating cancer.Computational methods have been widely explored and have become increasingly accurate in re... Personalized drug response prediction from molecular data is an important challenge in precision medicine for treating cancer.Computational methods have been widely explored and have become increasingly accurate in recent years.However,the clinical application of prediction methods is still in its infancy due to large discrepancies between preclinial models and patients.We present a novel disentangled synthesis transfer network(DiSyn)for drug response prediction specifically designed for transfer learning from preclinical models to clinical patients.DiSyn uses a domain separation network(DSN)to disentangle drug response related features,employs data synthesis technology to increase the sample size and iteratively trains for better feature disentanglement.DiSyn is pretrained on large-scale unlabeled cancer samples and validated by three datasets,The Cancer Genome Atlas(TCGA),Investigation of Serial Studies to Predict Your Therapeutic Response With Imaging And moLecular Analysis 2(I-SPY2)and Novartis Institutes for Biomedical Research Patient-Derived Xenograft Encyclopedia(NIBR PDXE),achieving competitive performance with the state-of-the-art methods on cancer patients and mice.Furthermore,the application of DiSyn to thousands of breast cancer patients show the heterogeneity in drug responses and demonstrate its potential value in biomarker discovery and drug combination prediction. 展开更多
关键词 Precision medicine Transfer learning Drug response prediction
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Analysis of clinical characteristics and diagnostic prediction of Qi deficiency and blood stasis syndrome in acute ischemic stroke 被引量:1
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作者 Hao XU Xu ZHU +3 位作者 Bo LI Xiaodan LIU Xihui PAN Changqing DENG 《Digital Chinese Medicine》 2025年第1期111-122,共12页
Objective To explore the clinical characteristics and methods for syndrome differentiation prediction,as well as to construct a predictive model for Qi deficiency and blood stasis syndrome in patients with acute ische... Objective To explore the clinical characteristics and methods for syndrome differentiation prediction,as well as to construct a predictive model for Qi deficiency and blood stasis syndrome in patients with acute ischemic stroke(AIS).Methods This study employed a retrospective case-control design to analyze patients with AIS who received inpatient treatment at the Neurology Department of The First Hospital of Hunan University of Chinese Medicine from January 1,2013 to December 31,2022.AIS patients meeting the diagnostic criteria for Qi deficiency and blood stasis syndrome were stratified into case group,while those without Qi deficiency and blood stasis syndrome were stratified into control group.The demographic characteristics(age and gender),clinical parameters[time from onset to admission,National Institutes of Health Stroke Scale(NIHSS)score,and blood pressure],past medical history,traditional Chinese medicine(TCM)diagnostic characteristics(tongue and pulse),neurological symptoms and signs,imaging findings[magnetic resonance imaging-diffusion weighted imaging(MRI-DWI)],and biochemical indicators of the two groups were collected and compared.The indicators with statistical difference(P<0.05)in univariate analysis were included in multivariate logistic regression analysis to evaluate their predictive value for the diagnosis of Qi deficiency and blood stasis syndrome,and the predictive model was constructed by receiver operating characteristic(ROC)curve analysis.Results The study included 1035 AIS patients,with 404 cases in case group and 631 cases in control group.Compared with control group,patients in case group were significantly older,had extended onset-to-admission time,lower diastolic blood pressure,and lower NIHSS scores(P<0.05).Case group showed lower incidence of hypertension history(P<0.05).Regarding tongue and pulse characteristics,pale and dark tongue colors,white tongue coating,fine pulse,astringent pulse,and sinking pulse were more common in case group.Imaging examinations demonstrated higher proportions of centrum semiovale infarction,cerebral atrophy,and vertebral artery stenosis in case group(P<0.05).Among biochemical indicators,case group showed higher proportions of elevated fasting blood glucose and glycated hemoglobin(HbA1c),while lower proportions of elevated white blood cell count,reduced hemoglobin,and reduced high-density lipoprotein cholesterol(HDL-C)(P<0.05).Multivariate logistic regression analysis identified significant predictors for Qi deficiency and blood stasis syndrome including:fine pulse[odds ratio(OR)=4.38],astringent pulse(OR=3.67),superficial sensory abnormalities(OR=1.86),centrum semiovale infarction(OR=1.57),cerebral atrophy(OR=1.55),vertebral artery stenosis(OR=1.62),and elevated HbA1c(OR=3.52).The ROC curve analysis of the comprehensive prediction model yielded an area under the curve(AUC)of 0.878[95%confidence interval(CI)=0.855-0.900].Conclusion This study finds out that Qi deficiency and blood stasis syndrome represents one of the primary types of AIS.Fine pulse,astringent pulse,superficial sensory abnormalities,centrum semiovale infarction,cerebral atrophy,vertebral artery stenosis,elevated blood glucose,elevated HbA1c,pale and dark tongue colors,and white tongue coating are key objective diagnostic indicators for the syndrome differentiation of AIS with Qi deficiency and blood stasis syndrome.Based on these indicators,a syndrome differentiation prediction model has been developed,offering a more objective basis for clinical diagnosis,and help to rapidly identify this syndrome in clinical practice and reduce misdiagnosis and missed diagnosis. 展开更多
关键词 Acute ischemic stroke(AIS) Case-control study Qi deficiency and blood stasis syndrome prediction model of syndrome differentiation Logistic regression analysis
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3D displacement time series prediction of a north-facing reservoir landslide powered by InSAR and machine learning 被引量:1
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作者 Fengnian Chang Shaochun Dong +4 位作者 Hongwei Yin Xiao Ye Zhenyun Wu Wei Zhang Honghu Zhu 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第7期4445-4461,共17页
Active landslides pose a significant threat globally,endangering lives and property.Effective monitoring and forecasting of displacements are essential for the timely warnings and mitigation of these events.Interferom... Active landslides pose a significant threat globally,endangering lives and property.Effective monitoring and forecasting of displacements are essential for the timely warnings and mitigation of these events.Interferometric synthetic aperture radar(InSAR)stands out as an efficient and prevalent tool for monitoring landslide deformation and offers new prospects for displacement prediction.However,challenges such as inherent limitation of satellite viewing geometry,long revisit cycles,and limited data volume hinder its application in displacement forecasting,notably for landslides with near-north-south deformation less detectable by InSAR.To address these issues,we propose a novel strategy for predicting three-dimensional(3D)landslide displacement,integrating InSAR and global navigation satellite system(GNSS)measurements with machine learning(ML).This framework first synergizes InSAR line-of-sight(LOS)results with GNSS horizontal data to reconstruct 3D displacement time series.It then employs ML models to capture complex nonlinear relationships between external triggers,landslide evolutionary states,and 3D displacements,thus enabling accurate future deformation predictions.Utilizing four advanced ML algorithms,i.e.random forest(RF),support vector machine(SVM),long short-term memory(LSTM),and gated recurrent unit(GRU),with Bayesian optimization(BO)for hyperparameter tuning,we applied this innovative approach to the north-facing,slow-moving Xinpu landslide in the Three Gorges Reservoir Area(TGRA)of China.Leveraging over 6.5 years of Sentinel-1 satellite data and GNSS measurements,our framework demonstrates satisfactory and robust prediction performance,with an average root mean square deviation(RMSD)of 9.62 mm and a correlation coefficient(CC)of 0.996.This study presents a promising strategy for 3D displacement prediction,illustrating the efficacy of integrating InSAR monitoring with ML forecasting in enhancing landslide early warning capabilities. 展开更多
关键词 Reservoir landslide Displacement prediction Machine learning Interferometric synthetic aperture radar(InSAR)time series Three-dimensional(3D)displacement
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