Model checking is an automated formal verification method to verify whether epistemic multi-agent systems adhere to property specifications.Although there is an extensive literature on qualitative properties such as s...Model checking is an automated formal verification method to verify whether epistemic multi-agent systems adhere to property specifications.Although there is an extensive literature on qualitative properties such as safety and liveness,there is still a lack of quantitative and uncertain property verifications for these systems.In uncertain environments,agents must make judicious decisions based on subjective epistemic.To verify epistemic and measurable properties in multi-agent systems,this paper extends fuzzy computation tree logic by introducing epistemic modalities and proposing a new Fuzzy Computation Tree Logic of Knowledge(FCTLK).We represent fuzzy multi-agent systems as distributed knowledge bases with fuzzy epistemic interpreted systems.In addition,we provide a transformation algorithm from fuzzy epistemic interpreted systems to fuzzy Kripke structures,as well as transformation rules from FCTLK formulas to Fuzzy Computation Tree Logic(FCTL)formulas.Accordingly,we transform the FCTLK model checking problem into the FCTL model checking.This enables the verification of FCTLK formulas by using the fuzzy model checking algorithm of FCTL without additional computational overheads.Finally,we present correctness proofs and complexity analyses of the proposed algorithms.Additionally,we further illustrate the practical application of our approach through an example of a train control system.展开更多
Reference data for large-scale land cover map are commonly acquired by visual interpretation of remotely sensed data.To assure consistency,multiple images are used,interpreters are trained,sites are interpreted by sev...Reference data for large-scale land cover map are commonly acquired by visual interpretation of remotely sensed data.To assure consistency,multiple images are used,interpreters are trained,sites are interpreted by several individuals,or the procedure includes a review.But little is known about important factors influencing the quality of visually interpreted data.We assessed the effect of multiple variables on land cover class agreement between interpreters and reviewers.Our analyses concerned data collected for validation of a global land cover map within the Copernicus Global Land Service project.Four cycles of visual interpretation were conducted,each was followed by review and feedback.Each interpreted site element was labelled according to dominant land cover type.We assessed relationships between the number of interpretation updates following feedback and the variables grouped in personal,training,and environmental categories.Variable importance was assessed using random forest regression.Personal variable interpreter identifier and training variable timestamp were found the strongest predictors of update counts,while the environmental variables complexity and image availability had least impact.Feedback loops reduced updating and hence improved consistency of the interpretations.Implementing feedback loops into the visually interpreted data collection increases the consistency of acquired land cover reference data.展开更多
Environmentalmonitoring systems based on remote sensing technology have a wider monitoringrange and longer timeliness, which makes them widely used in the detection andmanagement of pollution sources. However, haze we...Environmentalmonitoring systems based on remote sensing technology have a wider monitoringrange and longer timeliness, which makes them widely used in the detection andmanagement of pollution sources. However, haze weather conditions degrade image qualityand reduce the precision of environmental monitoring systems. To address this problem,this research proposes a remote sensing image dehazingmethod based on the atmosphericscattering model and a dark channel prior constrained network. The method consists ofa dehazing network, a dark channel information injection network (DCIIN), and a transmissionmap network. Within the dehazing network, the branch fusion module optimizesfeature weights to enhance the dehazing effect. By leveraging dark channel information,the DCIIN enables high-quality estimation of the atmospheric veil. To ensure the outputof the deep learning model aligns with physical laws, we reconstruct the haze image usingthe prediction results from the three networks. Subsequently, we apply the traditionalloss function and dark channel loss function between the reconstructed haze image and theoriginal haze image. This approach enhances interpretability and reliabilitywhile maintainingadherence to physical principles. Furthermore, the network is trained on a synthesizednon-homogeneous haze remote sensing dataset using dark channel information from cloudmaps. The experimental results show that the proposed network can achieve better imagedehazing on both synthetic and real remote sensing images with non-homogeneous hazedistribution. This research provides a new idea for solving the problem of decreased accuracyof environmental monitoring systems under haze weather conditions and has strongpracticability.展开更多
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
Artificial intelligence(AI)has emerged as a transformative technology in accelerating drug discovery and development within natural medicines research.Natural medicines,characterized by their complex chemical composit...Artificial intelligence(AI)has emerged as a transformative technology in accelerating drug discovery and development within natural medicines research.Natural medicines,characterized by their complex chemical compositions and multifaceted pharmacological mechanisms,demonstrate widespread application in treating diverse diseases.However,research and development face significant challenges,including component complexity,extraction difficulties,and efficacy validation.AI technology,particularly through deep learning(DL)and machine learning(ML)approaches,enables efficient analysis of extensive datasets,facilitating drug screening,component analysis,and pharmacological mechanism elucidation.The implementation of AI technology demonstrates considerable potential in virtual screening,compound optimization,and synthetic pathway design,thereby enhancing natural medicines’bioavailability and safety profiles.Nevertheless,current applications encounter limitations regarding data quality,model interpretability,and ethical considerations.As AI technologies continue to evolve,natural medicines research and development will achieve greater efficiency and precision,advancing both personalized medicine and contemporary drug development approaches.展开更多
The application of machine learning in alloy design is increasingly widespread,yet traditional models still face challenges when dealing with limited datasets and complex nonlinear relationships.This work proposes an ...The application of machine learning in alloy design is increasingly widespread,yet traditional models still face challenges when dealing with limited datasets and complex nonlinear relationships.This work proposes an interpretable machine learning method based on data augmentation and reconstruction,excavating high-performance low-alloyed magnesium(Mg)alloys.The data augmentation technique expands the original dataset through Gaussian noise.The data reconstruction method reorganizes and transforms the original data to extract more representative features,significantly improving the model's generalization ability and prediction accuracy,with a coefficient of determination(R^(2))of 95.9%for the ultimate tensile strength(UTS)model and a R^(2)of 95.3%for the elongation-to-failure(EL)model.The correlation coefficient assisted screening(CCAS)method is proposed to filter low-alloyed target alloys.A new Mg-2.2Mn-0.4Zn-0.2Al-0.2Ca(MZAX2000,wt%)alloy is designed and extruded into bar at given processing parameters,achieving room-temperature strength-ductility synergy showing an excellent UTS of 395 MPa and a high EL of 17.9%.This is closely related to its hetero-structured characteristic in the as-extruded MZAX2000 alloy consisting of coarse grains(16%),fine grains(75%),and fiber regions(9%).Therefore,this work offers new insights into optimizing alloy compositions and processing parameters for attaining new high strong and ductile low-alloyed Mg alloys.展开更多
As batteries become increasingly essential for energy storage technologies,battery prognosis,and diagnosis remain central to ensure reliable operation and effective management,as well as to aid the in-depth investigat...As batteries become increasingly essential for energy storage technologies,battery prognosis,and diagnosis remain central to ensure reliable operation and effective management,as well as to aid the in-depth investigation of degradation mechanisms.However,dynamic operating conditions,cell-to-cell inconsistencies,and limited availability of labeled data have posed significant challenges to accurate and robust prognosis and diagnosis.Herein,we introduce a time-series-decomposition-based ensembled lightweight learning model(TELL-Me),which employs a synergistic dual-module framework to facilitate accurate and reliable forecasting.The feature module formulates features with physical implications and sheds light on battery aging mechanisms,while the gradient module monitors capacity degradation rates and captures aging trend.TELL-Me achieves high accuracy in end-of-life prediction using minimal historical data from a single battery without requiring offline training dataset,and demonstrates impressive generality and robustness across various operating conditions and battery types.Additionally,by correlating feature contributions with degradation mechanisms across different datasets,TELL-Me is endowed with the diagnostic ability that not only enhances prediction reliability but also provides critical insights into the design and optimization of next-generation batteries.展开更多
Topographic maps,as essential tools and sources of information for geographic research,contain precise spatial locations and rich map features,and they illustrate spatio-temporal information on the distribution and di...Topographic maps,as essential tools and sources of information for geographic research,contain precise spatial locations and rich map features,and they illustrate spatio-temporal information on the distribution and differences of various surface features.Currently,topographic maps are mainly stored in raster and vector formats.Extraction of the spatio-temporal knowledge in the maps—such as spatial distribution patterns,feature relationships,and dynamic evolution—still primarily relies on manual interpretation.However,manual interpretation is time-consuming and laborious,especially for large-scale,long-term map knowledge extraction and application.With the development of artificial intelligence technology,it is possible to improve the automation level of map knowledge interpretation.Therefore,the present study proposes an automatic interpretation method for raster topographic map knowledge based on deep learning.To address the limitations of current data-driven intelligent technology in learning map spatial relations and cognitive logic,we establish a formal description of map knowledge by mapping the relationship between map knowledge and features,thereby ensuring interpretation accuracy.Subsequently,deep learning techniques are employed to extract map features automatically,and the spatio-temporal knowledge is constructed by combining formal descriptions of geographic feature knowledge.Validation experiments demonstrate that the proposed method effectively achieves automatic interpretation of spatio-temporal knowledge of geographic features in maps,with an accuracy exceeding 80%.The findings of the present study contribute to machine understanding of spatio-temporal differences in map knowledge and advances the intelligent interpretation and utilization of cartographic information.展开更多
Forecasting landslide deformation is challenging due to influence of various internal and external factors on the occurrence of systemic and localized heterogeneities.Despite the potential to improve landslide predict...Forecasting landslide deformation is challenging due to influence of various internal and external factors on the occurrence of systemic and localized heterogeneities.Despite the potential to improve landslide predictability,deep learning has yet to be sufficiently explored for complex deformation patterns associated with landslides and is inherently opaque.Herein,we developed a holistic landslide deformation forecasting method that considers spatiotemporal correlations of landslide deformation by integrating domain knowledge into interpretable deep learning.By spatially capturing the interconnections between multiple deformations from different observation points,our method contributes to the understanding and forecasting of landslide systematic behavior.By integrating specific domain knowledge relevant to each observation point and merging internal properties with external variables,the local heterogeneity is considered in our method,identifying deformation temporal patterns in different landslide zones.Case studies involving reservoir-induced landslides and creeping landslides demonstrated that our approach(1)enhances the accuracy of landslide deformation forecasting,(2)identifies significant contributing factors and their influence on spatiotemporal deformation characteristics,and(3)demonstrates how identifying these factors and patterns facilitates landslide forecasting.Our research offers a promising and pragmatic pathway toward a deeper understanding and forecasting of complex landslide behaviors.展开更多
Dear Editor,I am writing in response to Jamil's letter,"Interpretative Challenges of the Missing Perilymph'Sign in PLF Diagnosis."I concur with the author's emphasis on the necessity for cautious...Dear Editor,I am writing in response to Jamil's letter,"Interpretative Challenges of the Missing Perilymph'Sign in PLF Diagnosis."I concur with the author's emphasis on the necessity for cautious interpretation of low-signal areas as evidence of active perilymph leakage,requiring correlation with clinical findings,surgical confirmation,and longitudinal imaging changes.展开更多
Deep Learning(DL)model has been widely used in the field of Synthetic Aperture Radar Automatic Target Recognition(SAR-ATR)and has achieved excellent performance.However,the black-box nature of DL models has been the f...Deep Learning(DL)model has been widely used in the field of Synthetic Aperture Radar Automatic Target Recognition(SAR-ATR)and has achieved excellent performance.However,the black-box nature of DL models has been the focus of criticism,especially in the application of SARATR,which is closely associated with the national defense and security domain.To address these issues,a new interpretable recognition model Physics-Guided BagNet(PGBN)is proposed in this article.The model adopts an interpretable convolutional neural network framework and uses time–frequency analysis to extract physical scattering features in SAR images.Based on the physical scattering features,an unsupervised segmentation method is proposed to distinguish targets from the background in SAR images.On the basis of the segmentation result,a structure is designed,which constrains the model's spatial attention to focus more on the targets themselves rather than the background,thereby making the model's decision-making more in line with physical principles.In contrast to previous interpretable research methods,this model combines interpretable structure with physical interpretability,further reducing the model's risk of error recognition.Experiments on the MSTAR dataset verify that the PGBN model exhibits excellent interpretability and recognition performance,and comparative experiments with heatmaps indicate that the physical feature guidance module presented in this article can constrain the model to focus more on the target itself rather than the background.展开更多
Based on 1,003 articles about empirical research on interpreting teaching from 2002 to 2022 retrieved from China National Knowledge Internet,this paper extracts three main research methods,uncovering common problems i...Based on 1,003 articles about empirical research on interpreting teaching from 2002 to 2022 retrieved from China National Knowledge Internet,this paper extracts three main research methods,uncovering common problems in interpreting education and practical teaching suggestions:(1)Corpus-based researches collect numerous audios to study typical mistakes made by interpreting learners,particularly pause and self-repair,and suggest interpreting teaching improve learners’ability to use language chunks and encourage students to interpret smoothly;(2)Questionnaire surveys help understand requirements for professional interpreters and how interpreting teaching meets market demands;(3)Teaching experiments last for one to two semesters,addressing issues like outdated teaching materials and modes,and show how teaching materials and modes integrate modern technology.But empirical researches need to build new corpora,professional interpreters’corpora and address problems that haven’t been adequately discussed.This paper is helpful for improving interpreting education in China and other countries and for making clear tasks to be fulfilled in empirical research on interpreting education.展开更多
Machine learning models are increasingly used to correct the vertical biases(mainly due to vegetation and buildings)in global Digital Elevation Models(DEMs),for downstream applications which need‘‘bare earth"el...Machine learning models are increasingly used to correct the vertical biases(mainly due to vegetation and buildings)in global Digital Elevation Models(DEMs),for downstream applications which need‘‘bare earth"elevations.The predictive accuracy of these models has improved significantly as more flexible model architectures are developed and new explanatory datasets produced,leading to the recent release of three model-corrected DEMs(FABDEM,DiluviumDEM and FathomDEM).However,there has been relatively little focus so far on explaining or interrogating these models,especially important in this context given their downstream impact on many other applications(including natural hazard simulations).In this study we train five separate models(by land cover environment)to correct vertical biases in the Copernicus DEM and then explain them using SHapley Additive exPlanation(SHAP)values.Comparing the models,we find significant variation in terms of the specific input variables selected and their relative importance,suggesting that an ensemble of models(specialising by land cover)is likely preferable to a general model applied everywhere.Visualising the patterns learned by the models(using SHAP dependence plots)provides further insights,building confidence in some cases(where patterns are consistent with domain knowledge and past studies)and highlighting potentially problematic variables in others(such as proxy relationships which may not apply in new application sites).Our results have implications for future DEM error prediction studies,particularly in evaluating a very wide range of potential input variables(160 candidates)drawn from topographic,multispectral,Synthetic Aperture Radar,vegetation,climate and urbanisation datasets.展开更多
The potential toxicity of ionic liquids(ILs)affects their applications;how to control the toxicity is one of the key issues in their applications.To understand its toxicity structure relationship and promote its green...The potential toxicity of ionic liquids(ILs)affects their applications;how to control the toxicity is one of the key issues in their applications.To understand its toxicity structure relationship and promote its greener application,six different machine learning algorithms,including Bagging,Adaptive Boosting(AdaBoost),Gradient Boosting(GBoost),Stacking,Voting and Categorical Boosting(CatBoost),are established to model the toxicity of ILs on four distinct datasets including Leukemia rat cell line IPC-81(IPC-81),Acetylcholinesterase(AChE),Escherichia coli(E.coli)and Vibrio fischeri.Molecular descriptors obtained from the simplified molecular input line entry system(SMILES)are used to characterize ILs.All models are assessed by the mean square error(MSE),root mean square error(RMSE),mean absolute error(MAE)and correlation coefficient(R^(2)).Additionally,an interpretation model based on SHapley Additive exPlanations(SHAP)is built to determine the positive and negative effects of each molecular feature on toxicity.With additional parameters and complexity,the Catboost model outperforms the other models,making it a more reliable model for ILs'toxicity prediction.The results of the model's interpretation indicate that the most significant positive features,SMR_VSA5,PEOE_VSA8,Kappa2,PEOE_VSA6,SMR_VSA5,PEOE_VSA6 and EState_VSA1,can increase the toxicity of ILs as their levels rise,while the most significant negative features,VSA_EState7,EState_VSA8,PEOE_VSA9 and FpDensityMorgan1,can decrease the toxicity as their levels rise.Also,an IL's toxicity will grow as its average molecular weight and number of pyridine rings increase,whereas its toxicity will decrease as its hydrogen bond acceptors increase.This finding offers a theoretical foundation for rapid screening and synthesis of environmentally-benign ILs.展开更多
Nonfungible tokens(NFTs)have become highly sought-after assets in recent years,exhibiting potential for profitability and hedging.The large and lucrative NFT market has attracted both practitioners and researchers to ...Nonfungible tokens(NFTs)have become highly sought-after assets in recent years,exhibiting potential for profitability and hedging.The large and lucrative NFT market has attracted both practitioners and researchers to develop NFT price-prediction models.However,the extant models have some weaknesses in terms of model comprehensiveness and operational convenience.To address these research gaps,we propose a multimodal end-to-end interpretable deep learning(MEID)framework for NFT investment.Our model integrates visual features,textual descriptions,transaction indicators,and historical price time series by leveraging the advantages of convolutional neural networks(CNNs),adopts integrated gradient(IG)to improve interpretability,and designs a built-in financial evaluation mechanism to generate not only the predicted price category but also the recommended purchase level.The experimental results demonstrate that the proposed MEID framework has excellent properties in terms of the evaluation metrics.The proposed MEID framework could help investors identify market opportunities and help NFT transaction platforms design smart investment tools and improve transaction volume.展开更多
Developing machine learning frameworks with predictive power,interpretability,and transferability is crucial,yet it faces challenges in the field of electrocatalysis.To achieve this,we employed rigorous feature engine...Developing machine learning frameworks with predictive power,interpretability,and transferability is crucial,yet it faces challenges in the field of electrocatalysis.To achieve this,we employed rigorous feature engineering to establish a finely tuned gradient boosting regressor(GBR)model,which adeptly captures the physical complexity from feature space to target variables.We demonstrated that environmental electron effects and atomic number significantly govern the success of the mapping process via global and local explanations.The finely tuned GBR model exhibits exceptional robustness in predicting CO adsorption energies(R_(ave)^(2)=0.937,RMSE=0.153 eV).Moreover,the model demonstrated remarkable transfer learning ability,showing excellent predictive power for OH,NO,and N_(2) adsorption.Importantly,the GBR model exhibits exceptional predictive capability across an extensive search space,thereby demonstrating profound adaptability and versatility.Our research framework significantly enhances the interpretability and transferability of machine learning in electrocatalysis,offering vital insights for further advancements.展开更多
The development of fungicides is time-consuming and costly.Introducing a fungicide-likeness assessment strategy at the early screening stage can help reduce development risks and improve the success rate.However,exist...The development of fungicides is time-consuming and costly.Introducing a fungicide-likeness assessment strategy at the early screening stage can help reduce development risks and improve the success rate.However,existing assessment methods are often plagued by low accuracy and poor generalization,while fragment-based design strategies commonly fail to account for synergistic effects between structural units.Therefore,based on a small-scale sample set,this study developed a more efficient global predictive model for fungicidal activity—-named APPf—by integrating multi-scale feature screening methods and machine learning algorithms,which also accounts for synergistic effects among different structural fragments.We utilized three independent external test sets for model validation:External Test Set 1 for general validation,External Test Set 2 for comparison with existing models,and External Test Set 3 for disease-specific fungicide evaluation.On External Test Set 1,the APPf model achieved a precision of 0.6454,a recall of 0.8535,and an F1 score of 0.7350,demonstrating its robust predictive performance.It also exhibited strong enrichment capability for positive samples in External Test Set 2.For External Test Set 3,APPf achieved a prediction accuracy exceeding 80%for each disease,suggesting its promising potential in practical fungicide development.Furthermore,we quantified the contribution of molecular descriptors to the model predictions using SHAP value analysis and identified nHdNH and NssssNp as strong indicative features for predicting fungicidal activity,thereby enhancing the interpretability of the model.APPf has been deployed on a public web server(http://pesticides.cau.edu.cn/APPf),providing a user-friendly online prediction service to support the discovery of novel fungicides.Meanwhile,we employed a molecular fragmentation strategy to analyze the co-occurrence relationships between fragments in fungicides and constructed a network map of fragment co-occurrence associated with fungicidal activity.This study provides both an active fragment library and a global fungicide-likeness assessment tool for AI-based de novo molecular generation aimed at discovering novel fungicidal leads,which is expected to enhance the efficiency of developing new fungicides.展开更多
Liquid rocket engine(LRE)fault diagnosis is critical for successful space launch missions,enabling timely avoidance of safety hazards,while accurate post-failure analysis prevents subsequent economic losses.However,th...Liquid rocket engine(LRE)fault diagnosis is critical for successful space launch missions,enabling timely avoidance of safety hazards,while accurate post-failure analysis prevents subsequent economic losses.However,the complexity of LRE systems and the“black-box”nature of current deep learning-based diagnostic methods hinder interpretable fault diagnosis.This paper establishes Granger causality(GC)extraction-based component-wise multi-layer perceptron(GCMLP),achieving high fault diagnosis accuracy while leveraging GC to enhance diagnostic interpretability.First,component-wise MLP networks are constructed for distinct LRE variables to extract inter-variable GC relationships.Second,dedicated predictors are designed for each variable,leveraging historical data and GC relationships to forecast future states,thereby ensuring GC reliability.Finally,the extracted GC features are utilized for fault classification,guaranteeing feature discriminability and diagnosis accuracy.This study simulates six critical fault modes in LRE using Simulink.Based on the generated simulation data,GCMLP demonstrates superior fault localization accuracy compared to benchmark methods,validating its efficacy and robustness.展开更多
Low-temperature hydrogenation of silicon tetrachloride(STC)is an essential step in polysilicon production.The addition of CuCl to silicon powder is currently a commonly used catalytic method and the silicon powder act...Low-temperature hydrogenation of silicon tetrachloride(STC)is an essential step in polysilicon production.The addition of CuCl to silicon powder is currently a commonly used catalytic method and the silicon powder acts as both a reactant and a catalyst.However,the reaction mechanism and the structure-activity relationship of this process have not been fully elucidated.In this work,a comprehensive study of the reaction mechanism in the presence of Si and Cu_(3)Si was carried out using density functional theory(DFT)combined with experiments,respectively.The results indicated that the ratedetermining step(RDS)in the presence of Si is the phase transition of Si atom,meanwhile,the RDS in the presence of Cu_(3)Si is the TCS-generation process.The activation barrier of the latter is smaller,highlighting that the interaction of Si with the bulk phase is the pivotal factor influencing the catalytic activity.The feasibility of transition metal doping to facilitate this step was further investigated.The Si disengage energy(E_(d))was used as a quantitative parameter to assess the catalytic activity of the catalysts,and the optimal descriptor was determined through interpretable machine learning.It was demonstrated that d-band center and electron transfer play a crucial role in regulating the level of Ed.This work reveals the mechanism and structure-activity relationship for the low-temperature hydrogenation reaction of STC,and provides a basis for the rational design of catalysts.展开更多
In recent years,with the rapid development of software systems,the continuous expansion of software scale and the increasing complexity of systems have led to the emergence of a growing number of software metrics.Defe...In recent years,with the rapid development of software systems,the continuous expansion of software scale and the increasing complexity of systems have led to the emergence of a growing number of software metrics.Defect prediction methods based on software metric elements highly rely on software metric data.However,redundant software metric data is not conducive to efficient defect prediction,posing severe challenges to current software defect prediction tasks.To address these issues,this paper focuses on the rational clustering of software metric data.Firstly,multiple software projects are evaluated to determine the preset number of clusters for software metrics,and various clustering methods are employed to cluster the metric elements.Subsequently,a co-occurrence matrix is designed to comprehensively quantify the number of times that metrics appear in the same category.Based on the comprehensive results,the software metric data are divided into two semantic views containing different metrics,thereby analyzing the semantic information behind the software metrics.On this basis,this paper also conducts an in-depth analysis of the impact of different semantic view of metrics on defect prediction results,as well as the performance of various classification models under these semantic views.Experiments show that the joint use of the two semantic views can significantly improve the performance of models in software defect prediction,providing a new understanding and approach at the semantic view level for defect prediction research based on software metrics.展开更多
基金The work is partially supported by Natural Science Foundation of Ningxia(Grant No.AAC03300)National Natural Science Foundation of China(Grant No.61962001)Graduate Innovation Project of North Minzu University(Grant No.YCX23152).
文摘Model checking is an automated formal verification method to verify whether epistemic multi-agent systems adhere to property specifications.Although there is an extensive literature on qualitative properties such as safety and liveness,there is still a lack of quantitative and uncertain property verifications for these systems.In uncertain environments,agents must make judicious decisions based on subjective epistemic.To verify epistemic and measurable properties in multi-agent systems,this paper extends fuzzy computation tree logic by introducing epistemic modalities and proposing a new Fuzzy Computation Tree Logic of Knowledge(FCTLK).We represent fuzzy multi-agent systems as distributed knowledge bases with fuzzy epistemic interpreted systems.In addition,we provide a transformation algorithm from fuzzy epistemic interpreted systems to fuzzy Kripke structures,as well as transformation rules from FCTLK formulas to Fuzzy Computation Tree Logic(FCTL)formulas.Accordingly,we transform the FCTLK model checking problem into the FCTL model checking.This enables the verification of FCTLK formulas by using the fuzzy model checking algorithm of FCTL without additional computational overheads.Finally,we present correctness proofs and complexity analyses of the proposed algorithms.Additionally,we further illustrate the practical application of our approach through an example of a train control system.
基金supported by the European Commission–Copernicus program,Global Land Service。
文摘Reference data for large-scale land cover map are commonly acquired by visual interpretation of remotely sensed data.To assure consistency,multiple images are used,interpreters are trained,sites are interpreted by several individuals,or the procedure includes a review.But little is known about important factors influencing the quality of visually interpreted data.We assessed the effect of multiple variables on land cover class agreement between interpreters and reviewers.Our analyses concerned data collected for validation of a global land cover map within the Copernicus Global Land Service project.Four cycles of visual interpretation were conducted,each was followed by review and feedback.Each interpreted site element was labelled according to dominant land cover type.We assessed relationships between the number of interpretation updates following feedback and the variables grouped in personal,training,and environmental categories.Variable importance was assessed using random forest regression.Personal variable interpreter identifier and training variable timestamp were found the strongest predictors of update counts,while the environmental variables complexity and image availability had least impact.Feedback loops reduced updating and hence improved consistency of the interpretations.Implementing feedback loops into the visually interpreted data collection increases the consistency of acquired land cover reference data.
基金supported by the National Natural Science Foundation of China(No.51605054).
文摘Environmentalmonitoring systems based on remote sensing technology have a wider monitoringrange and longer timeliness, which makes them widely used in the detection andmanagement of pollution sources. However, haze weather conditions degrade image qualityand reduce the precision of environmental monitoring systems. To address this problem,this research proposes a remote sensing image dehazingmethod based on the atmosphericscattering model and a dark channel prior constrained network. The method consists ofa dehazing network, a dark channel information injection network (DCIIN), and a transmissionmap network. Within the dehazing network, the branch fusion module optimizesfeature weights to enhance the dehazing effect. By leveraging dark channel information,the DCIIN enables high-quality estimation of the atmospheric veil. To ensure the outputof the deep learning model aligns with physical laws, we reconstruct the haze image usingthe prediction results from the three networks. Subsequently, we apply the traditionalloss function and dark channel loss function between the reconstructed haze image and theoriginal haze image. This approach enhances interpretability and reliabilitywhile maintainingadherence to physical principles. Furthermore, the network is trained on a synthesizednon-homogeneous haze remote sensing dataset using dark channel information from cloudmaps. The experimental results show that the proposed network can achieve better imagedehazing on both synthetic and real remote sensing images with non-homogeneous hazedistribution. This research provides a new idea for solving the problem of decreased accuracyof environmental monitoring systems under haze weather conditions and has strongpracticability.
基金Supported by National Key Research and Development Program,No.2022YFC2407304Major Research Project for Middle-Aged and Young Scientists of Fujian Provincial Health Commission,No.2021ZQNZD013+2 种基金The National Natural Science Foundation of China,No.62275050Fujian Province Science and Technology Innovation Joint Fund Project,No.2019Y9108Major Science and Technology Projects of Fujian Province,No.2021YZ036017.
文摘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.
基金supports from the National Key Research and Development Program of China(No.2020YFE0202200)the National Natural Science Foundation of China(Nos.81903538,82322073,92253303)+1 种基金the Innovation Team and Talents Cultivation Program of National Administration of Traditional Chinese Medicine(No.ZYYCXTD-D-202004)the Science and Technology Commission of Shanghai Municipality(Nos.22ZR1474200,24JS2830200).
文摘Artificial intelligence(AI)has emerged as a transformative technology in accelerating drug discovery and development within natural medicines research.Natural medicines,characterized by their complex chemical compositions and multifaceted pharmacological mechanisms,demonstrate widespread application in treating diverse diseases.However,research and development face significant challenges,including component complexity,extraction difficulties,and efficacy validation.AI technology,particularly through deep learning(DL)and machine learning(ML)approaches,enables efficient analysis of extensive datasets,facilitating drug screening,component analysis,and pharmacological mechanism elucidation.The implementation of AI technology demonstrates considerable potential in virtual screening,compound optimization,and synthetic pathway design,thereby enhancing natural medicines’bioavailability and safety profiles.Nevertheless,current applications encounter limitations regarding data quality,model interpretability,and ethical considerations.As AI technologies continue to evolve,natural medicines research and development will achieve greater efficiency and precision,advancing both personalized medicine and contemporary drug development approaches.
基金funded by the National Natural Science Foundation of China(No.52204407)the Natural Science Foundation of Jiangsu Province(No.BK20220595)+1 种基金the China Postdoctoral Science Foundation(No.2022M723689)the Industrial Collaborative Innovation Project of Shanghai(No.XTCX-KJ-2022-2-11)。
文摘The application of machine learning in alloy design is increasingly widespread,yet traditional models still face challenges when dealing with limited datasets and complex nonlinear relationships.This work proposes an interpretable machine learning method based on data augmentation and reconstruction,excavating high-performance low-alloyed magnesium(Mg)alloys.The data augmentation technique expands the original dataset through Gaussian noise.The data reconstruction method reorganizes and transforms the original data to extract more representative features,significantly improving the model's generalization ability and prediction accuracy,with a coefficient of determination(R^(2))of 95.9%for the ultimate tensile strength(UTS)model and a R^(2)of 95.3%for the elongation-to-failure(EL)model.The correlation coefficient assisted screening(CCAS)method is proposed to filter low-alloyed target alloys.A new Mg-2.2Mn-0.4Zn-0.2Al-0.2Ca(MZAX2000,wt%)alloy is designed and extruded into bar at given processing parameters,achieving room-temperature strength-ductility synergy showing an excellent UTS of 395 MPa and a high EL of 17.9%.This is closely related to its hetero-structured characteristic in the as-extruded MZAX2000 alloy consisting of coarse grains(16%),fine grains(75%),and fiber regions(9%).Therefore,this work offers new insights into optimizing alloy compositions and processing parameters for attaining new high strong and ductile low-alloyed Mg alloys.
基金supported by the National Natural Science Foundation of China(22379021 and 22479021)。
文摘As batteries become increasingly essential for energy storage technologies,battery prognosis,and diagnosis remain central to ensure reliable operation and effective management,as well as to aid the in-depth investigation of degradation mechanisms.However,dynamic operating conditions,cell-to-cell inconsistencies,and limited availability of labeled data have posed significant challenges to accurate and robust prognosis and diagnosis.Herein,we introduce a time-series-decomposition-based ensembled lightweight learning model(TELL-Me),which employs a synergistic dual-module framework to facilitate accurate and reliable forecasting.The feature module formulates features with physical implications and sheds light on battery aging mechanisms,while the gradient module monitors capacity degradation rates and captures aging trend.TELL-Me achieves high accuracy in end-of-life prediction using minimal historical data from a single battery without requiring offline training dataset,and demonstrates impressive generality and robustness across various operating conditions and battery types.Additionally,by correlating feature contributions with degradation mechanisms across different datasets,TELL-Me is endowed with the diagnostic ability that not only enhances prediction reliability but also provides critical insights into the design and optimization of next-generation batteries.
基金Deep-time Digital Earth(DDE)Big Science Program(No.GJ-C03-SGF-2025-004)National Natural Science Foundation of China(No.42394063)Sichuan Science and Technology Program(No.2025ZNSFSC0325).
文摘Topographic maps,as essential tools and sources of information for geographic research,contain precise spatial locations and rich map features,and they illustrate spatio-temporal information on the distribution and differences of various surface features.Currently,topographic maps are mainly stored in raster and vector formats.Extraction of the spatio-temporal knowledge in the maps—such as spatial distribution patterns,feature relationships,and dynamic evolution—still primarily relies on manual interpretation.However,manual interpretation is time-consuming and laborious,especially for large-scale,long-term map knowledge extraction and application.With the development of artificial intelligence technology,it is possible to improve the automation level of map knowledge interpretation.Therefore,the present study proposes an automatic interpretation method for raster topographic map knowledge based on deep learning.To address the limitations of current data-driven intelligent technology in learning map spatial relations and cognitive logic,we establish a formal description of map knowledge by mapping the relationship between map knowledge and features,thereby ensuring interpretation accuracy.Subsequently,deep learning techniques are employed to extract map features automatically,and the spatio-temporal knowledge is constructed by combining formal descriptions of geographic feature knowledge.Validation experiments demonstrate that the proposed method effectively achieves automatic interpretation of spatio-temporal knowledge of geographic features in maps,with an accuracy exceeding 80%.The findings of the present study contribute to machine understanding of spatio-temporal differences in map knowledge and advances the intelligent interpretation and utilization of cartographic information.
基金supported by the Postdoctoral Fellowship Program of CPSF(Grant No.GZB20230685)the National Science Foundation of China(Grant No.42277161).
文摘Forecasting landslide deformation is challenging due to influence of various internal and external factors on the occurrence of systemic and localized heterogeneities.Despite the potential to improve landslide predictability,deep learning has yet to be sufficiently explored for complex deformation patterns associated with landslides and is inherently opaque.Herein,we developed a holistic landslide deformation forecasting method that considers spatiotemporal correlations of landslide deformation by integrating domain knowledge into interpretable deep learning.By spatially capturing the interconnections between multiple deformations from different observation points,our method contributes to the understanding and forecasting of landslide systematic behavior.By integrating specific domain knowledge relevant to each observation point and merging internal properties with external variables,the local heterogeneity is considered in our method,identifying deformation temporal patterns in different landslide zones.Case studies involving reservoir-induced landslides and creeping landslides demonstrated that our approach(1)enhances the accuracy of landslide deformation forecasting,(2)identifies significant contributing factors and their influence on spatiotemporal deformation characteristics,and(3)demonstrates how identifying these factors and patterns facilitates landslide forecasting.Our research offers a promising and pragmatic pathway toward a deeper understanding and forecasting of complex landslide behaviors.
文摘Dear Editor,I am writing in response to Jamil's letter,"Interpretative Challenges of the Missing Perilymph'Sign in PLF Diagnosis."I concur with the author's emphasis on the necessity for cautious interpretation of low-signal areas as evidence of active perilymph leakage,requiring correlation with clinical findings,surgical confirmation,and longitudinal imaging changes.
基金co-supported by the National Natural Science Foundation of China(No.62001507)the Youth Talent Lifting Project of the China Association for Science and Technology(No.2021-JCJQ-QT-018)+1 种基金the Program of the Youth Innovation Team of Shaanxi Universitiesthe Natural Science Basic Research Plan in Shaanxi Province of China(No.2023-JC-YB-491)。
文摘Deep Learning(DL)model has been widely used in the field of Synthetic Aperture Radar Automatic Target Recognition(SAR-ATR)and has achieved excellent performance.However,the black-box nature of DL models has been the focus of criticism,especially in the application of SARATR,which is closely associated with the national defense and security domain.To address these issues,a new interpretable recognition model Physics-Guided BagNet(PGBN)is proposed in this article.The model adopts an interpretable convolutional neural network framework and uses time–frequency analysis to extract physical scattering features in SAR images.Based on the physical scattering features,an unsupervised segmentation method is proposed to distinguish targets from the background in SAR images.On the basis of the segmentation result,a structure is designed,which constrains the model's spatial attention to focus more on the targets themselves rather than the background,thereby making the model's decision-making more in line with physical principles.In contrast to previous interpretable research methods,this model combines interpretable structure with physical interpretability,further reducing the model's risk of error recognition.Experiments on the MSTAR dataset verify that the PGBN model exhibits excellent interpretability and recognition performance,and comparative experiments with heatmaps indicate that the physical feature guidance module presented in this article can constrain the model to focus more on the target itself rather than the background.
基金USST Construction Project of English-taught Courses for International Students in 2024Key Course Construction Project in Universities of Shanghai in 2024USST Teaching Achievement Award(postgraduate)Cultivation Project in 2024。
文摘Based on 1,003 articles about empirical research on interpreting teaching from 2002 to 2022 retrieved from China National Knowledge Internet,this paper extracts three main research methods,uncovering common problems in interpreting education and practical teaching suggestions:(1)Corpus-based researches collect numerous audios to study typical mistakes made by interpreting learners,particularly pause and self-repair,and suggest interpreting teaching improve learners’ability to use language chunks and encourage students to interpret smoothly;(2)Questionnaire surveys help understand requirements for professional interpreters and how interpreting teaching meets market demands;(3)Teaching experiments last for one to two semesters,addressing issues like outdated teaching materials and modes,and show how teaching materials and modes integrate modern technology.But empirical researches need to build new corpora,professional interpreters’corpora and address problems that haven’t been adequately discussed.This paper is helpful for improving interpreting education in China and other countries and for making clear tasks to be fulfilled in empirical research on interpreting education.
文摘Machine learning models are increasingly used to correct the vertical biases(mainly due to vegetation and buildings)in global Digital Elevation Models(DEMs),for downstream applications which need‘‘bare earth"elevations.The predictive accuracy of these models has improved significantly as more flexible model architectures are developed and new explanatory datasets produced,leading to the recent release of three model-corrected DEMs(FABDEM,DiluviumDEM and FathomDEM).However,there has been relatively little focus so far on explaining or interrogating these models,especially important in this context given their downstream impact on many other applications(including natural hazard simulations).In this study we train five separate models(by land cover environment)to correct vertical biases in the Copernicus DEM and then explain them using SHapley Additive exPlanation(SHAP)values.Comparing the models,we find significant variation in terms of the specific input variables selected and their relative importance,suggesting that an ensemble of models(specialising by land cover)is likely preferable to a general model applied everywhere.Visualising the patterns learned by the models(using SHAP dependence plots)provides further insights,building confidence in some cases(where patterns are consistent with domain knowledge and past studies)and highlighting potentially problematic variables in others(such as proxy relationships which may not apply in new application sites).Our results have implications for future DEM error prediction studies,particularly in evaluating a very wide range of potential input variables(160 candidates)drawn from topographic,multispectral,Synthetic Aperture Radar,vegetation,climate and urbanisation datasets.
基金funded by Research Platforms and Projects for Higher Education Institutions of Department of Education of Guangdong Province in 2024(2024KTSCX256)2023 Guangdong Province Higher Vocational Education Teaching Quality and Teaching Reform Project(2023JG080).
文摘The potential toxicity of ionic liquids(ILs)affects their applications;how to control the toxicity is one of the key issues in their applications.To understand its toxicity structure relationship and promote its greener application,six different machine learning algorithms,including Bagging,Adaptive Boosting(AdaBoost),Gradient Boosting(GBoost),Stacking,Voting and Categorical Boosting(CatBoost),are established to model the toxicity of ILs on four distinct datasets including Leukemia rat cell line IPC-81(IPC-81),Acetylcholinesterase(AChE),Escherichia coli(E.coli)and Vibrio fischeri.Molecular descriptors obtained from the simplified molecular input line entry system(SMILES)are used to characterize ILs.All models are assessed by the mean square error(MSE),root mean square error(RMSE),mean absolute error(MAE)and correlation coefficient(R^(2)).Additionally,an interpretation model based on SHapley Additive exPlanations(SHAP)is built to determine the positive and negative effects of each molecular feature on toxicity.With additional parameters and complexity,the Catboost model outperforms the other models,making it a more reliable model for ILs'toxicity prediction.The results of the model's interpretation indicate that the most significant positive features,SMR_VSA5,PEOE_VSA8,Kappa2,PEOE_VSA6,SMR_VSA5,PEOE_VSA6 and EState_VSA1,can increase the toxicity of ILs as their levels rise,while the most significant negative features,VSA_EState7,EState_VSA8,PEOE_VSA9 and FpDensityMorgan1,can decrease the toxicity as their levels rise.Also,an IL's toxicity will grow as its average molecular weight and number of pyridine rings increase,whereas its toxicity will decrease as its hydrogen bond acceptors increase.This finding offers a theoretical foundation for rapid screening and synthesis of environmentally-benign ILs.
基金supported by the National Key Research and Development Program of China(Project No.2022YFC3320800)the National Natural Science Foundation of China(Project No.72571210).
文摘Nonfungible tokens(NFTs)have become highly sought-after assets in recent years,exhibiting potential for profitability and hedging.The large and lucrative NFT market has attracted both practitioners and researchers to develop NFT price-prediction models.However,the extant models have some weaknesses in terms of model comprehensiveness and operational convenience.To address these research gaps,we propose a multimodal end-to-end interpretable deep learning(MEID)framework for NFT investment.Our model integrates visual features,textual descriptions,transaction indicators,and historical price time series by leveraging the advantages of convolutional neural networks(CNNs),adopts integrated gradient(IG)to improve interpretability,and designs a built-in financial evaluation mechanism to generate not only the predicted price category but also the recommended purchase level.The experimental results demonstrate that the proposed MEID framework has excellent properties in terms of the evaluation metrics.The proposed MEID framework could help investors identify market opportunities and help NFT transaction platforms design smart investment tools and improve transaction volume.
基金supported by the Research Grants Council of Hong Kong(CityU 11305919 and 11308620)and NSFC/RGC Joint Research Scheme N_CityU104/19Hong Kong Research Grant Council Collaborative Research Fund:C1002-21G and C1017-22Gsupported by the Hong Kong Research Grant Council Collaborative Research Fund:C6021-19E.
文摘Developing machine learning frameworks with predictive power,interpretability,and transferability is crucial,yet it faces challenges in the field of electrocatalysis.To achieve this,we employed rigorous feature engineering to establish a finely tuned gradient boosting regressor(GBR)model,which adeptly captures the physical complexity from feature space to target variables.We demonstrated that environmental electron effects and atomic number significantly govern the success of the mapping process via global and local explanations.The finely tuned GBR model exhibits exceptional robustness in predicting CO adsorption energies(R_(ave)^(2)=0.937,RMSE=0.153 eV).Moreover,the model demonstrated remarkable transfer learning ability,showing excellent predictive power for OH,NO,and N_(2) adsorption.Importantly,the GBR model exhibits exceptional predictive capability across an extensive search space,thereby demonstrating profound adaptability and versatility.Our research framework significantly enhances the interpretability and transferability of machine learning in electrocatalysis,offering vital insights for further advancements.
基金the National Key R&D Program of China(No.2022YFD1700200).
文摘The development of fungicides is time-consuming and costly.Introducing a fungicide-likeness assessment strategy at the early screening stage can help reduce development risks and improve the success rate.However,existing assessment methods are often plagued by low accuracy and poor generalization,while fragment-based design strategies commonly fail to account for synergistic effects between structural units.Therefore,based on a small-scale sample set,this study developed a more efficient global predictive model for fungicidal activity—-named APPf—by integrating multi-scale feature screening methods and machine learning algorithms,which also accounts for synergistic effects among different structural fragments.We utilized three independent external test sets for model validation:External Test Set 1 for general validation,External Test Set 2 for comparison with existing models,and External Test Set 3 for disease-specific fungicide evaluation.On External Test Set 1,the APPf model achieved a precision of 0.6454,a recall of 0.8535,and an F1 score of 0.7350,demonstrating its robust predictive performance.It also exhibited strong enrichment capability for positive samples in External Test Set 2.For External Test Set 3,APPf achieved a prediction accuracy exceeding 80%for each disease,suggesting its promising potential in practical fungicide development.Furthermore,we quantified the contribution of molecular descriptors to the model predictions using SHAP value analysis and identified nHdNH and NssssNp as strong indicative features for predicting fungicidal activity,thereby enhancing the interpretability of the model.APPf has been deployed on a public web server(http://pesticides.cau.edu.cn/APPf),providing a user-friendly online prediction service to support the discovery of novel fungicides.Meanwhile,we employed a molecular fragmentation strategy to analyze the co-occurrence relationships between fragments in fungicides and constructed a network map of fragment co-occurrence associated with fungicidal activity.This study provides both an active fragment library and a global fungicide-likeness assessment tool for AI-based de novo molecular generation aimed at discovering novel fungicidal leads,which is expected to enhance the efficiency of developing new fungicides.
文摘Liquid rocket engine(LRE)fault diagnosis is critical for successful space launch missions,enabling timely avoidance of safety hazards,while accurate post-failure analysis prevents subsequent economic losses.However,the complexity of LRE systems and the“black-box”nature of current deep learning-based diagnostic methods hinder interpretable fault diagnosis.This paper establishes Granger causality(GC)extraction-based component-wise multi-layer perceptron(GCMLP),achieving high fault diagnosis accuracy while leveraging GC to enhance diagnostic interpretability.First,component-wise MLP networks are constructed for distinct LRE variables to extract inter-variable GC relationships.Second,dedicated predictors are designed for each variable,leveraging historical data and GC relationships to forecast future states,thereby ensuring GC reliability.Finally,the extracted GC features are utilized for fault classification,guaranteeing feature discriminability and diagnosis accuracy.This study simulates six critical fault modes in LRE using Simulink.Based on the generated simulation data,GCMLP demonstrates superior fault localization accuracy compared to benchmark methods,validating its efficacy and robustness.
基金supported by Hubei Three Gorges Laboratory Open Innovation Fund Project(SC231002)CFD Simulation to Explore the Mass and Heat Transfer Laws of Thermal Decomposition of Mixed Salt Organic Compounds Project(2021YFC 3201404).
文摘Low-temperature hydrogenation of silicon tetrachloride(STC)is an essential step in polysilicon production.The addition of CuCl to silicon powder is currently a commonly used catalytic method and the silicon powder acts as both a reactant and a catalyst.However,the reaction mechanism and the structure-activity relationship of this process have not been fully elucidated.In this work,a comprehensive study of the reaction mechanism in the presence of Si and Cu_(3)Si was carried out using density functional theory(DFT)combined with experiments,respectively.The results indicated that the ratedetermining step(RDS)in the presence of Si is the phase transition of Si atom,meanwhile,the RDS in the presence of Cu_(3)Si is the TCS-generation process.The activation barrier of the latter is smaller,highlighting that the interaction of Si with the bulk phase is the pivotal factor influencing the catalytic activity.The feasibility of transition metal doping to facilitate this step was further investigated.The Si disengage energy(E_(d))was used as a quantitative parameter to assess the catalytic activity of the catalysts,and the optimal descriptor was determined through interpretable machine learning.It was demonstrated that d-band center and electron transfer play a crucial role in regulating the level of Ed.This work reveals the mechanism and structure-activity relationship for the low-temperature hydrogenation reaction of STC,and provides a basis for the rational design of catalysts.
基金supported by the CCF-NSFOCUS‘Kunpeng’Research Fund(CCF-NSFOCUS2024012).
文摘In recent years,with the rapid development of software systems,the continuous expansion of software scale and the increasing complexity of systems have led to the emergence of a growing number of software metrics.Defect prediction methods based on software metric elements highly rely on software metric data.However,redundant software metric data is not conducive to efficient defect prediction,posing severe challenges to current software defect prediction tasks.To address these issues,this paper focuses on the rational clustering of software metric data.Firstly,multiple software projects are evaluated to determine the preset number of clusters for software metrics,and various clustering methods are employed to cluster the metric elements.Subsequently,a co-occurrence matrix is designed to comprehensively quantify the number of times that metrics appear in the same category.Based on the comprehensive results,the software metric data are divided into two semantic views containing different metrics,thereby analyzing the semantic information behind the software metrics.On this basis,this paper also conducts an in-depth analysis of the impact of different semantic view of metrics on defect prediction results,as well as the performance of various classification models under these semantic views.Experiments show that the joint use of the two semantic views can significantly improve the performance of models in software defect prediction,providing a new understanding and approach at the semantic view level for defect prediction research based on software metrics.
