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A Detection Algorithm for Two-Wheeled Vehicles in Complex Scenarios Based on Semi-Supervised Learning
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作者 Mingen Zhong Kaibo Yang +4 位作者 Ziji Xiao Jiawei Tan Kang Fan Zhiying Deng Mengli Zhou 《Computers, Materials & Continua》 2025年第7期1055-1071,共17页
With the rapid urbanization and exponential population growth in China,two-wheeled vehicles have become a popular mode of transportation,particularly for short-distance travel.However,due to a lack of safety awareness... With the rapid urbanization and exponential population growth in China,two-wheeled vehicles have become a popular mode of transportation,particularly for short-distance travel.However,due to a lack of safety awareness,traffic violations by two-wheeled vehicle riders have become a widespread concern,contributing to urban traffic risks.Currently,significant human and material resources are being allocated to monitor and intercept non-compliant riders to ensure safe driving behavior.To enhance the safety,efficiency,and cost-effectiveness of traffic monitoring,automated detection systems based on image processing algorithms can be employed to identify traffic violations from eye-level video footage.In this study,we propose a robust detection algorithm specifically designed for two-wheeled vehicles,which serves as a fundamental step toward intelligent traffic monitoring.Our approach integrates a novel convolutional and attention mechanism to improve detection accuracy and efficiency.Additionally,we introduce a semi-supervised training strategy that leverages a large number of unlabeled images to enhance the model’s learning capability by extracting valuable background information.This method enables the model to generalize effectively to diverse urban environments and varying lighting conditions.We evaluate our proposed algorithm on a custom-built dataset,and experimental results demonstrate its superior performance,achieving an average precision(AP)of 95%and a recall(R)of 90.6%.Furthermore,the model maintains a computational efficiency of only 25.7 GFLOPs while achieving a high processing speed of 249 FPS,making it highly suitable for deployment on edge devices.Compared to existing detection methods,our approach significantly enhances the accuracy and robustness of two-wheeled vehicle identification while ensuring real-time performance. 展开更多
关键词 Two wheeled vehicles illegal behavior detection object detection semi supervised learning deep learning TRANSFORMER convolutional neural network
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ICA-Net:improving class activation for weakly supervised semantic segmentation via joint contrastive and simulation learning
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作者 YE Zhuang LIU Ruyu SUN Bo 《Optoelectronics Letters》 2025年第3期188-192,共5页
In the field of optoelectronics,certain types of data may be difficult to accurately annotate,such as high-resolution optoelectronic imaging or imaging in certain special spectral ranges.Weakly supervised learning can... In the field of optoelectronics,certain types of data may be difficult to accurately annotate,such as high-resolution optoelectronic imaging or imaging in certain special spectral ranges.Weakly supervised learning can provide a more reliable approach in these situations.Current popular approaches mainly adopt the classification-based class activation maps(CAM)as initial pseudo labels to solve the task. 展开更多
关键词 high resolution imaging supervised learning class activation maps joint contrastive simulation learning special spectral ranges weakly supervised learning OPTOELECTRONICS
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Human Action Recognition Based on Supervised Class-Specific Dictionary Learning with Deep Convolutional Neural Network Features 被引量:6
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作者 Binjie Gu 《Computers, Materials & Continua》 SCIE EI 2020年第4期243-262,共20页
Human action recognition under complex environment is a challenging work.Recently,sparse representation has achieved excellent results of dealing with human action recognition problem under different conditions.The ma... Human action recognition under complex environment is a challenging work.Recently,sparse representation has achieved excellent results of dealing with human action recognition problem under different conditions.The main idea of sparse representation classification is to construct a general classification scheme where the training samples of each class can be considered as the dictionary to express the query class,and the minimal reconstruction error indicates its corresponding class.However,how to learn a discriminative dictionary is still a difficult work.In this work,we make two contributions.First,we build a new and robust human action recognition framework by combining one modified sparse classification model and deep convolutional neural network(CNN)features.Secondly,we construct a novel classification model which consists of the representation-constrained term and the coefficients incoherence term.Experimental results on benchmark datasets show that our modified model can obtain competitive results in comparison to other state-of-the-art models. 展开更多
关键词 Action recognition deep CNN features sparse model supervised dictionary learning
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Supervised learning with probability interpretation in airfoil transition judgment 被引量:2
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作者 Binbin WEI Yongwei GAO +1 位作者 Dong LI Lei DENG 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2023年第1期91-104,共14页
Transition prediction has always been a frontier issue in the field of aerodynamics.A supervised learning model with probability interpretation for transition judgment based on experimental data was developed in this ... Transition prediction has always been a frontier issue in the field of aerodynamics.A supervised learning model with probability interpretation for transition judgment based on experimental data was developed in this paper.It solved the shortcomings of the point detection method in the experiment,that which was often only one transition point could be obtained,and comparison of multi-point data was necessary.First,the Variable-Interval Time Average(VITA)method was used to transform the fluctuating pressure signal measured on the airfoil surface into a sequence of states which was described by Markov chain model.Second,a feature vector consisting of one-step transition matrix and its stationary distribution was extracted.Then,the Hidden Markov Model(HMM)was used to pre-classify the feature vectors marked using the traditional Root Mean Square(RMS)criteria.Finally,a classification model with probability interpretation was established,and the cross-validation method was used for model validation.The research results show that the developed model is effective and reliable,and it has strong Reynolds number generalization ability.The developed model was theoretically analyzed in depth,and the effect of parameters on the model was studied in detail.Compared with the traditional RMS criterion,a reasonable transition zone can be obtained using the developed classification model.In addition,the developed model does not require comparison of multi-point data.The developed supervised learning model provides new ideas for the transition detection in flight experiments and other experiments. 展开更多
关键词 Classification model Hidden Markov model Markov chain model supervised learning Transition judgment
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Radar emitter signal recognition method based on improved collaborative semi-supervised learning 被引量:2
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作者 JIN Tao ZHANG Xindong 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2023年第5期1182-1190,共9页
Rare labeled data are difficult to recognize by using conventional methods in the process of radar emitter recogni-tion.To solve this problem,an optimized cooperative semi-supervised learning radar emitter recognition... Rare labeled data are difficult to recognize by using conventional methods in the process of radar emitter recogni-tion.To solve this problem,an optimized cooperative semi-supervised learning radar emitter recognition method based on a small amount of labeled data is developed.First,a small amount of labeled data are randomly sampled by using the bootstrap method,loss functions for three common deep learning net-works are improved,the uniform distribution and cross-entropy function are combined to reduce the overconfidence of softmax classification.Subsequently,the dataset obtained after sam-pling is adopted to train three improved networks so as to build the initial model.In addition,the unlabeled data are preliminarily screened through dynamic time warping(DTW)and then input into the initial model trained previously for judgment.If the judg-ment results of two or more networks are consistent,the unla-beled data are labeled and put into the labeled data set.Lastly,the three network models are input into the labeled dataset for training,and the final model is built.As revealed by the simula-tion results,the semi-supervised learning method adopted in this paper is capable of exploiting a small amount of labeled data and basically achieving the accuracy of labeled data recognition. 展开更多
关键词 emitter signal identification time series BOOTSTRAP semi supervised learning cross entropy function homogeniza-tion dynamic time warping(DTW)
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Physics-constrained indirect supervised learning 被引量:2
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作者 Yuntian Chen Dongxiao Zhang 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2020年第3期155-160,共6页
This study proposes a supervised learning method that does not rely on labels.We use variables associated with the label as indirect labels,and construct an indirect physics-constrained loss based on the physical mech... This study proposes a supervised learning method that does not rely on labels.We use variables associated with the label as indirect labels,and construct an indirect physics-constrained loss based on the physical mechanism to train the model.In the training process,the model prediction is mapped to the space of value that conforms to the physical mechanism through the projection matrix,and then the model is trained based on the indirect labels.The final prediction result of the model conforms to the physical mechanism between indirect label and label,and also meets the constraints of the indirect label.The present study also develops projection matrix normalization and prediction covariance analysis to ensure that the model can be fully trained.Finally,the effect of the physics-constrained indirect supervised learning is verified based on a well log generation problem. 展开更多
关键词 supervised learning Indirect label Physics constrained Physics informed Well logs
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Lexicalized Dependency Paths Based Supervised Learning for Relation Extraction 被引量:2
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作者 Huiyu Sun Ralph Grishman 《Computer Systems Science & Engineering》 SCIE EI 2022年第12期861-870,共10页
Log-linear models and more recently neural network models used forsupervised relation extraction requires substantial amounts of training data andtime, limiting the portability to new relations and domains. To this en... Log-linear models and more recently neural network models used forsupervised relation extraction requires substantial amounts of training data andtime, limiting the portability to new relations and domains. To this end, we propose a training representation based on the dependency paths between entities in adependency tree which we call lexicalized dependency paths (LDPs). We showthat this representation is fast, efficient and transparent. We further propose representations utilizing entity types and its subtypes to refine our model and alleviatethe data sparsity problem. We apply lexicalized dependency paths to supervisedlearning using the ACE corpus and show that it can achieve similar performancelevel to other state-of-the-art methods and even surpass them on severalcategories. 展开更多
关键词 Relation extraction dependency paths lexicalized dependency paths supervised learning rule-based models
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Welding anomaly detection based on supervised learning and unsupervised learning 被引量:1
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作者 Fa Yongzhe Zhang Baoxin +4 位作者 Ya Wei Rook Remco Mahadevan Gautham Tulini Isotta Yu Xinghua 《China Welding》 CAS 2022年第3期24-29,共6页
In order to solve the problem of automatic defect detection and process control in the welding and arc additive process,the paper monitors the current,voltage,audio,and other data during the welding process and extrac... In order to solve the problem of automatic defect detection and process control in the welding and arc additive process,the paper monitors the current,voltage,audio,and other data during the welding process and extracts the minimum value,standard deviation,deviation from the voltage and current data.It extracts spectral features such as root mean square,spectral centroid,and zero-crossing rate from audio data,fuses the features extracted from multiple sensor signals,and establishes multiple machine learning supervised and unsupervised models.They are used to detect abnormalities in the welding process.The experimental results show that the established multiple machine learning models have high accuracy,among which the supervised learning model,the balanced accuracy of Ada boost is 0.957,and the unsupervised learning model Isolation Forest has a balanced accuracy of 0.909. 展开更多
关键词 welding anomaly detection machine learning unsupervised learning supervised learning
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Supervised local and non-local structure preserving projections with application to just-in-time learning for adaptive soft sensor 被引量:4
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作者 邵伟明 田学民 王平 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2015年第12期1925-1934,共10页
In soft sensor field, just-in-time learning(JITL) is an effective approach to model nonlinear and time varying processes. However, most similarity criterions in JITL are computed in the input space only while ignoring... In soft sensor field, just-in-time learning(JITL) is an effective approach to model nonlinear and time varying processes. However, most similarity criterions in JITL are computed in the input space only while ignoring important output information, which may lead to inaccurate construction of relevant sample set. To solve this problem, we propose a novel supervised feature extraction method suitable for the regression problem called supervised local and non-local structure preserving projections(SLNSPP), in which both input and output information can be easily and effectively incorporated through a newly defined similarity index. The SLNSPP can not only retain the virtue of locality preserving projections but also prevent faraway points from nearing after projection,which endues SLNSPP with powerful discriminating ability. Such two good properties of SLNSPP are desirable for JITL as they are expected to enhance the accuracy of similar sample selection. Consequently, we present a SLNSPP-JITL framework for developing adaptive soft sensor, including a sparse learning strategy to limit the scale and update the frequency of database. Finally, two case studies are conducted with benchmark datasets to evaluate the performance of the proposed schemes. The results demonstrate the effectiveness of LNSPP and SLNSPP. 展开更多
关键词 Adaptive soft sensor Just-in-time learning supervised local and non-local structure preserving projections Locality preserving projections Database monitoring
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EEG classification based on probabilistic neural network with supervised learning in brain computer interface 被引量:1
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作者 吴婷 Yan Guozheng +1 位作者 Yang Banghua Sun Hong 《High Technology Letters》 EI CAS 2009年第4期384-387,共4页
Aiming at the topic of electroencephalogram (EEG) pattern recognition in brain computer interface (BCI), a classification method based on probabilistic neural network (PNN) with supervised learning is presented ... Aiming at the topic of electroencephalogram (EEG) pattern recognition in brain computer interface (BCI), a classification method based on probabilistic neural network (PNN) with supervised learning is presented in this paper. It applies the recognition rate of training samples to the learning progress of network parameters. The learning vector quantization is employed to group training samples and the Genetic algorithm (GA) is used for training the network' s smoothing parameters and hidden central vector for detemlining hidden neurons. Utilizing the standard dataset I (a) of BCI Competition 2003 and comparing with other classification methods, the experiment results show that the best performance of pattern recognition Js got in this way, and the classification accuracy can reach to 93.8%, which improves over 5% compared with the best result (88.7 % ) of the competition. This technology provides an effective way to EEG classification in practical system of BCI. 展开更多
关键词 Probabilistic neural network (PNN) supervised learning brain computer interface (BCI) electroencephalogram (EEG)
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Research on internet traffic classification techniques using supervised machine learning 被引量:1
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作者 李君 Zhang Shunyi +1 位作者 Wang Pan Li Cuilian 《High Technology Letters》 EI CAS 2009年第4期369-377,共9页
Interact traffic classification is vital to the areas of network operation and management. Traditional classification methods such as port mapping and payload analysis are becoming increasingly difficult as newly emer... Interact traffic classification is vital to the areas of network operation and management. Traditional classification methods such as port mapping and payload analysis are becoming increasingly difficult as newly emerged applications (e. g. Peer-to-Peer) using dynamic port numbers, masquerading techniques and encryption to avoid detection. This paper presents a machine learning (ML) based traffic classifica- tion scheme, which offers solutions to a variety of network activities and provides a platform of performance evaluation for the classifiers. The impact of dataset size, feature selection, number of application types and ML algorithm selection on classification performance is analyzed and demonstrated by the following experiments: (1) The genetic algorithm based feature selection can dramatically reduce the cost without diminishing classification accuracy. (2) The chosen ML algorithms can achieve high classification accuracy. Particularly, REPTree and C4.5 outperform the other ML algorithms when computational complexity and accuracy are both taken into account. (3) Larger dataset and fewer application types would result in better classification accuracy. Finally, early detection with only several initial packets is proposed for real-time network activity and it is proved to be feasible according to the preliminary results. 展开更多
关键词 supervised machine learning traffic classification feature selection genetic algorithm (GA)
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Auxiliary Fault Location on Commercial Equipment Based on Supervised Machine Learning 被引量:1
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作者 ZHAO Zipiao ZHAO Yongli +1 位作者 YAN Boyuan WANG Dajiang 《ZTE Communications》 2022年第S01期7-15,共9页
As the fundamental infrastructure of the Internet,the optical network carries a great amount of Internet traffic.There would be great financial losses if some faults happen.Therefore,fault location is very important f... As the fundamental infrastructure of the Internet,the optical network carries a great amount of Internet traffic.There would be great financial losses if some faults happen.Therefore,fault location is very important for the operation and maintenance in optical networks.Due to complex relationships among each network element in topology level,each board in network element level,and each component in board level,the con-crete fault location is hard for traditional method.In recent years,machine learning,es-pecially deep learning,has been applied to many complex problems,because machine learning can find potential non-linear mapping from some inputs to the output.In this paper,we introduce supervised machine learning to propose a complete process for fault location.Firstly,we use data preprocessing,data annotation,and data augmenta-tion in order to process original collected data to build a high-quality dataset.Then,two machine learning algorithms(convolutional neural networks and deep neural networks)are applied on the dataset.The evaluation on commercial optical networks shows that this process helps improve the quality of dataset,and two algorithms perform well on fault location. 展开更多
关键词 optical network fault location supervised machine learning
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Instance reduction for supervised learning using input-output clustering method
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作者 YODJAIPHET Anusorn THEERA-UMPON Nipon AUEPHANWIRIYAKUL Sansanee 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第12期4740-4748,共9页
A method that applies clustering technique to reduce the number of samples of large data sets using input-output clustering is proposed.The proposed method clusters the output data into groups and clusters the input d... A method that applies clustering technique to reduce the number of samples of large data sets using input-output clustering is proposed.The proposed method clusters the output data into groups and clusters the input data in accordance with the groups of output data.Then,a set of prototypes are selected from the clustered input data.The inessential data can be ultimately discarded from the data set.The proposed method can reduce the effect from outliers because only the prototypes are used.This method is applied to reduce the data set in regression problems.Two standard synthetic data sets and three standard real-world data sets are used for evaluation.The root-mean-square errors are compared from support vector regression models trained with the original data sets and the corresponding instance-reduced data sets.From the experiments,the proposed method provides good results on the reduction and the reconstruction of the standard synthetic and real-world data sets.The numbers of instances of the synthetic data sets are decreased by 25%-69%.The reduction rates for the real-world data sets of the automobile miles per gallon and the 1990 census in CA are 46% and 57%,respectively.The reduction rate of 96% is very good for the electrocardiogram(ECG) data set because of the redundant and periodic nature of ECG signals.For all of the data sets,the regression results are similar to those from the corresponding original data sets.Therefore,the regression performance of the proposed method is good while only a fraction of the data is needed in the training process. 展开更多
关键词 instance reduction input-output clustering fuzzy c-means clustering support vector regression supervised learning
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New supervised learning classifiers for structural damage diagnosis using time series features from a new feature extraction technique
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作者 Masoud Haghani Chegeni Mohammad Kazem Sharbatdar +1 位作者 Reza Mahjoub Mahdi Raftari 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2022年第1期169-191,共23页
The motivation for this article is to propose new damage classifiers based on a supervised learning problem for locating and quantifying damage.A new feature extraction approach using time series analysis is introduce... The motivation for this article is to propose new damage classifiers based on a supervised learning problem for locating and quantifying damage.A new feature extraction approach using time series analysis is introduced to extract damage-sensitive features from auto-regressive models.This approach sets out to improve current feature extraction techniques in the context of time series modeling.The coefficients and residuals of the AR model obtained from the proposed approach are selected as the main features and are applied to the proposed supervised learning classifiers that are categorized as coefficient-based and residual-based classifiers.These classifiers compute the relative errors in the extracted features between the undamaged and damaged states.Eventually,the abilities of the proposed methods to localize and quantify single and multiple damage scenarios are verified by applying experimental data for a laboratory frame and a four-story steel structure.Comparative analyses are performed to validate the superiority of the proposed methods over some existing techniques.Results show that the proposed classifiers,with the aid of extracted features from the proposed feature extraction approach,are able to locate and quantify damage;however,the residual-based classifiers yield better results than the coefficient-based classifiers.Moreover,these methods are superior to some classical techniques. 展开更多
关键词 structural damage diagnosis statistical pattern recognition feature extraction time series analysis supervised learning CLASSIFICATION
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Prediction of Extremist Behaviour and Suicide Bombing from Terrorism Contents Using Supervised Learning
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作者 Nasir Mahmood Muhammad Usman Ghani Khan 《Computers, Materials & Continua》 SCIE EI 2022年第3期4411-4428,共18页
This study proposes an architecture for the prediction of extremist human behaviour from projected suicide bombings.By linking‘dots’of police data comprising scattered information of people,groups,logistics,location... This study proposes an architecture for the prediction of extremist human behaviour from projected suicide bombings.By linking‘dots’of police data comprising scattered information of people,groups,logistics,locations,communication,and spatiotemporal characters on different social media groups,the proposed architecture will spawn beneficial information.This useful information will,in turn,help the police both in predicting potential terrorist events and in investigating previous events.Furthermore,this architecture will aid in the identification of criminals and their associates and handlers.Terrorism is psychological warfare,which,in the broadest sense,can be defined as the utilisation of deliberate violence for economic,political or religious purposes.In this study,a supervised learning-based approach was adopted to develop the proposed architecture.The dataset was prepared from the suicide bomb blast data of Pakistan obtained from the South Asia Terrorism Portal(SATP).As the proposed architecture was simulated,the supervised learning-based classifiers na飗e Bayes and Hoeffding Tree reached 72.17%accuracy.One of the additional benefits this study offers is the ability to predict the target audience of potential suicide bomb blasts,which may be used to eliminate future threats or,at least,minimise the number of casualties and other property losses. 展开更多
关键词 EXTREMISM TERRORISM suicide bombing crime prediction pattern recognition machine learning supervised learning
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CoLM^(2)S:Contrastive self‐supervised learning on attributed multiplex graph network with multi‐scale information
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作者 Beibei Han Yingmei Wei +1 位作者 Qingyong Wang Shanshan Wan 《CAAI Transactions on Intelligence Technology》 SCIE EI 2023年第4期1464-1479,共16页
Contrastive self‐supervised representation learning on attributed graph networks with Graph Neural Networks has attracted considerable research interest recently.However,there are still two challenges.First,most of t... Contrastive self‐supervised representation learning on attributed graph networks with Graph Neural Networks has attracted considerable research interest recently.However,there are still two challenges.First,most of the real‐word system are multiple relations,where entities are linked by different types of relations,and each relation is a view of the graph network.Second,the rich multi‐scale information(structure‐level and feature‐level)of the graph network can be seen as self‐supervised signals,which are not fully exploited.A novel contrastive self‐supervised representation learning framework on attributed multiplex graph networks with multi‐scale(named CoLM^(2)S)information is presented in this study.It mainly contains two components:intra‐relation contrast learning and interrelation contrastive learning.Specifically,the contrastive self‐supervised representation learning framework on attributed single‐layer graph networks with multi‐scale information(CoLMS)framework with the graph convolutional network as encoder to capture the intra‐relation information with multi‐scale structure‐level and feature‐level selfsupervised signals is introduced first.The structure‐level information includes the edge structure and sub‐graph structure,and the feature‐level information represents the output of different graph convolutional layer.Second,according to the consensus assumption among inter‐relations,the CoLM^(2)S framework is proposed to jointly learn various graph relations in attributed multiplex graph network to achieve global consensus node embedding.The proposed method can fully distil the graph information.Extensive experiments on unsupervised node clustering and graph visualisation tasks demonstrate the effectiveness of our methods,and it outperforms existing competitive baselines. 展开更多
关键词 attributed multiplex graph network contrastive self‐supervised learning graph representation learning multiscale information
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A Hybrid Genetic Algorithm for Supervised Inductive Learning
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作者 Liu Juan Li Weihua(Department of Computer Science)Wuhan University(Wuhan,Hubei,430072,P.R.China) 《Wuhan University Journal of Natural Sciences》 CAS 1996年第Z1期611-616,共6页
A novel algorithm is presented for supervised inductive learning by integrating a genetic algorithm with hot'tom-up induction process.The hybrid learning algorithm has been implemented in C on a personal computer(... A novel algorithm is presented for supervised inductive learning by integrating a genetic algorithm with hot'tom-up induction process.The hybrid learning algorithm has been implemented in C on a personal computer(386DX/40).The performance of the algorithm has been evaluated by applying it to 11-multiplexer problem and the results show that the algorithm's accuracy is higher than the others[5,12, 13]. 展开更多
关键词 supervised Inductive learning Hybrid Genetic Algorithm Concept learning
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Supervised Learning Algorithm on Unstructured Documents for the Classification of Job Offers: Case of Cameroun
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作者 Fritz Sosso Makembe Roger Atsa Etoundi Hippolyte Tapamo 《Journal of Computer and Communications》 2023年第2期75-88,共14页
Nowadays, in data science, supervised learning algorithms are frequently used to perform text classification. However, African textual data, in general, have been studied very little using these methods. This article ... Nowadays, in data science, supervised learning algorithms are frequently used to perform text classification. However, African textual data, in general, have been studied very little using these methods. This article notes the particularity of the data and measures the level of precision of predictions of naive Bayes algorithms, decision tree, and SVM (Support Vector Machine) on a corpus of computer jobs taken on the internet. This is due to the data imbalance problem in machine learning. However, this problem essentially focuses on the distribution of the number of documents in each class or subclass. Here, we delve deeper into the problem to the word count distribution in a set of documents. The results are compared with those obtained on a set of French IT offers. It appears that the precision of the classification varies between 88% and 90% for French offers against 67%, at most, for Cameroonian offers. The contribution of this study is twofold. Indeed, it clearly shows that, in a similar job category, job offers on the internet in Cameroon are more unstructured compared to those available in France, for example. Moreover, it makes it possible to emit a strong hypothesis according to which sets of texts having a symmetrical distribution of the number of words obtain better results with supervised learning algorithms. 展开更多
关键词 Job Offer Underemployment Text Classification Imbalanced Data Symmetric Word Distribution supervised learning
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Design of N-11-Azaartemisinins Potentially Active against Plasmodium falciparum by Combined Molecular Electrostatic Potential, Ligand-Receptor Interaction and Models Built with Supervised Machine Learning Methods
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作者 Jeferson Stiver Oliveira de Castro José Ciríaco Pinheiro +5 位作者 Sílvia Simone dos Santos de Morais Heriberto Rodrigues Bitencourt Antonio Florêncio de Figueiredo Marcos Antonio Barros dos Santos Fábio dos Santos Gil Ana Cecília Barbosa Pinheiro 《Journal of Biophysical Chemistry》 CAS 2023年第1期1-29,共29页
N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models built with supervised machine learning m... N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models built with supervised machine learning methods (PCA, HCA, KNN, SIMCA, and SDA). The optimization of molecular structures was performed using the B3LYP/6-31G* approach. MEP maps and ligand-receptor interactions were used to investigate key structural features required for biological activities and likely interactions between N-11-azaartemisinins and heme, respectively. The supervised machine learning methods allowed the separation of the investigated compounds into two classes: cha and cla, with the properties ε<sub>LUMO+1</sub> (one level above lowest unoccupied molecular orbital energy), d(C<sub>6</sub>-C<sub>5</sub>) (distance between C<sub>6</sub> and C<sub>5</sub> atoms in ligands), and TSA (total surface area) responsible for the classification. The insights extracted from the investigation developed and the chemical intuition enabled the design of sixteen new N-11-azaartemisinins (prediction set), moreover, models built with supervised machine learning methods were applied to this prediction set. The result of this application showed twelve new promising N-11-azaartemisinins for synthesis and biological evaluation. 展开更多
关键词 Antimalarial Design MEP Ligand-Receptor Interaction supervised Machine learning Methods Models Built with supervised Machine learning Methods
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Prediction of Protein Expression and Growth Rates by Supervised Machine Learning
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作者 Simiao Zhao 《Natural Science》 2021年第8期301-330,共30页
The DNA sequences of an organism play an important influence on its transcription and translation process, thus affecting its protein production and growth rate. Due to the com-plexity of DNA, it was extremely difficu... The DNA sequences of an organism play an important influence on its transcription and translation process, thus affecting its protein production and growth rate. Due to the com-plexity of DNA, it was extremely difficult to predict the macroscopic characteristics of or-ganisms. However, with the rapid development of machine learning in recent years, it be-comes possible to use powerful machine learning algorithms to process and analyze biolog-ical data. Based on the synthetic DNA sequences of a specific microbe, <em>E. coli</em>, I designed a process to predict its protein production and growth rate. By observing the properties of a data set constructed by previous work, I chose to use supervised learning regressors with encoded DNA sequences as input features to perform the predictions. After comparing different encoders and algorithms, I selected three encoders to encode the DNA sequences as inputs and trained seven different regressors to predict the outputs. The hy-per-parameters are optimized for three regressors which have the best potential prediction performance. Finally, I successfully predicted the protein production and growth rates, with the best <em>R</em><sup><em>2</em></sup> score 0.55 and 0.77, respectively, by using encoders to catch the potential fea-tures from the DNA sequences. 展开更多
关键词 DNA Sequences Protein Production Growth Rate supervised Machine learning
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