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A Multi-Scale Graph Neural Networks Ensemble Approach for Enhanced DDoS Detection
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作者 Noor Mueen Mohammed Ali Hayder Seyed Amin Hosseini Seno +2 位作者 Hamid Noori Davood Zabihzadeh Mehdi Ebady Manaa 《Computers, Materials & Continua》 2026年第4期1216-1242,共27页
Distributed Denial of Service(DDoS)attacks are one of the severe threats to network infrastructure,sometimes bypassing traditional diagnosis algorithms because of their evolving complexity.PresentMachine Learning(ML)t... Distributed Denial of Service(DDoS)attacks are one of the severe threats to network infrastructure,sometimes bypassing traditional diagnosis algorithms because of their evolving complexity.PresentMachine Learning(ML)techniques for DDoS attack diagnosis normally apply network traffic statistical features such as packet sizes and inter-arrival times.However,such techniques sometimes fail to capture complicated relations among various traffic flows.In this paper,we present a new multi-scale ensemble strategy given the Graph Neural Networks(GNNs)for improving DDoS detection.Our technique divides traffic into macro-and micro-level elements,letting various GNN models to get the two corase-scale anomalies and subtle,stealthy attack models.Through modeling network traffic as graph-structured data,GNNs efficiently learn intricate relations among network entities.The proposed ensemble learning algorithm combines the results of several GNNs to improve generalization,robustness,and scalability.Extensive experiments on three benchmark datasets—UNSW-NB15,CICIDS2017,and CICDDoS2019—show that our approach outperforms traditional machine learning and deep learning models in detecting both high-rate and low-rate(stealthy)DDoS attacks,with significant improvements in accuracy and recall.These findings demonstrate the suggested method’s applicability and robustness for real-world implementation in contexts where several DDoS patterns coexist. 展开更多
关键词 DDoS detection graph neural networks multi-scale learning ensemble learning network security stealth attacks network graphs
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A Multi-Scale Graph Neural Network for the Prediction of Multi-Component Gas Adsorption
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作者 Lujun Li Haibin Yu 《Engineering》 2025年第9期102-111,共10页
Metal–organic frameworks(MOFs)hold great potential for gas separation and storage,and graph neural networks have proven to be a powerful tool for exploring material structure–property relationships and discovering n... Metal–organic frameworks(MOFs)hold great potential for gas separation and storage,and graph neural networks have proven to be a powerful tool for exploring material structure–property relationships and discovering new materials.Unlike traditional molecular graphs,crystal graphs require consideration of periodic invariance and modes.In addition,MOF structures such as covalent bonds,functional groups,and global structures impact adsorption performance in different ways.However,redundant atomic interactions can disrupt training accuracy,potentially leading to overfitting.In this paper,we propose a multi-scale crystal graph for describing periodic crystal structures,modeling interatomic interactions at different scales while preserving periodicity invariance.We also propose a multi-head attention crystal graph network in multi-scale graphs(MHACGN-MS),which learns structural characteristics by focusing on interatomic interactions at different scales,thereby reducing interference from redundant interactions.Using MOF adsorption for gases as an example,we demonstrate that MHACGN-MS outperforms traditional graph neural networks in predicting multi-component gas adsorption.We also visualize attention scores to validate effective learning and demonstrate the model’s interpretability. 展开更多
关键词 Metal-organic frameworks Multi-head attention score graph neural network Adsorption
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Multi-scale simplified residual convolutional neural network model for predicting compositions of binary magnesium alloys
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作者 Xu Qin Qinghang Wang +6 位作者 Xinqian Zhao Shouxin Xia Li Wang Jiabao Long Yuhui Zhang Yanfu Chai Daolun Chen 《Journal of Magnesium and Alloys》 2026年第1期117-123,共7页
This study proposes a multi-scale simplified residual convolutional neural network(MS-SRCNN)for the precise prediction of Mg-Nd binary alloy compositions from scanning electron microscope(SEM)images.A multi-scale data... This study proposes a multi-scale simplified residual convolutional neural network(MS-SRCNN)for the precise prediction of Mg-Nd binary alloy compositions from scanning electron microscope(SEM)images.A multi-scale data structure is established by spatially aligning and stacking SEM images at different magnifications.The MS-SRCNN significantly reduces computational runtime by over 90%compared to traditional architectures like ResNet50,VGG16,and VGG19,without compromising prediction accuracy.The model demonstrates more excellent predictive performance,achieving a>5%increase in R^(2) compared to single-scale models.Furthermore,the MS-SRCNN exhibits robust composition prediction capability across other Mg-based binary alloys,including Mg-La,Mg-Sn,Mg-Ce,Mg-Sm,Mg-Ag,and Mg-Y,thereby emphasizing its generalization and extrapolation potential.This research establishes a non-destructive,microstructure-informed composition analysis framework,reduces characterization time compared to traditional experiment methods and provides insights into the composition-microstructure relationship in diverse material systems. 展开更多
关键词 Magnesium alloys Composition prediction Scanning electron microscope images multi-scale simplified residual convolutional neural network
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TopoMSG:A Topology-Aware Multi-Scale Graph Network for Social Bot Detection
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作者 Junhui Xu Qi Wang +1 位作者 Chichen Lin Weijian Fan 《Computers, Materials & Continua》 2026年第3期1164-1178,共15页
Social bots are automated programs designed to spread rumors and misinformation,posing significant threats to online security.Existing research shows that the structure of a social network significantly affects the be... Social bots are automated programs designed to spread rumors and misinformation,posing significant threats to online security.Existing research shows that the structure of a social network significantly affects the behavioral patterns of social bots:a higher number of connected components weakens their collaborative capabilities,thereby reducing their proportion within the overall network.However,current social bot detection methods still make limited use of topological features.Furthermore,both graph neural network(GNN)-based methods that rely on local features and those that leverage global features suffer from their own limitations,and existing studies lack an effective fusion of multi-scale information.To address these issues,this paper proposes a topology-aware multi-scale social bot detection method,which jointly learns local and global representations through a co-training mechanism.At the local level,topological features are effectively embedded into node representations,enhancing expressiveness while alleviating the over-smoothing problem in GNNs.At the global level,a clustering attention mechanism is introduced to learn global node representations,mitigating the over-globalization problem.Experimental results demonstrate that our method effectively overcomes the limitations of single-scale approaches.Our code is publicly available at https://anonymous.4open.science/r/TopoMSG-2C41/(accessed on 27 October 2025). 展开更多
关键词 Social bot detection graph neural network topological data analysis
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Personalized Differential Privacy Graph Neural Network
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作者 Yanli Yuan Dian Lei +3 位作者 Chuan Zhang Zehui Xiong Chunhai Li Liehuang Zhu 《IEEE/CAA Journal of Automatica Sinica》 2026年第2期498-500,共3页
Dear Editor,This letter addresses the critical challenge of preserving privacy in graph learning without compromising on data utility.Differential privacy(DP)is emerging as an effective method for privacy-preserving g... Dear Editor,This letter addresses the critical challenge of preserving privacy in graph learning without compromising on data utility.Differential privacy(DP)is emerging as an effective method for privacy-preserving graph learning.However,its application often diminishes data utility,especially for nodes with fewer neighbors in graph neural networks(GNNs). 展开更多
关键词 graph neural networks gnns personalized differential privacy graph learning privacy preservation data utility preserving privacy graph neural network
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Smart Contract Vulnerability Detection Based on Symbolic Execution and Graph Neural Networks
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作者 Haoxin Sun XiaoYu +5 位作者 Jiale Li Yitong Xu JieYu Huanhuan Li Yuanzhang Li Yu-An Tan 《Computers, Materials & Continua》 2026年第2期1474-1488,共15页
Since the advent of smart contracts,security vulnerabilities have remained a persistent challenge,compromsing both the reliability of contract execution and the overall stability of the virtual currency market.Consequ... Since the advent of smart contracts,security vulnerabilities have remained a persistent challenge,compromsing both the reliability of contract execution and the overall stability of the virtual currency market.Consequently,the academic community has devoted increasing attention to these security risks.However,conventional approaches to vulnerability detection frequently exhibit limited accuracy.To address this limitation,the present study introduces a novel vulnerability detection framework called GNNSE that integrates symbolic execution with graph neural networks(GNNs).The proposedmethod first constructs semantic graphs to comprehensively capture the control flow and data flow dependencies within smart contracts.These graphs are subsequently processed using GNNs to efficiently identify contracts with a high likelihood of vulnerabilities.For these high-risk contracts,symbolic execution is employed to perform fine-grained,path-level analysis,thereby improving overall detection precision.Experimental results on a dataset comprising 10,079 contracts demonstrate that the proposed method achieves detection precisions of 93.58% for reentrancy vulnerabilities and 92.73% for timestamp-dependent vulnerabilities. 展开更多
关键词 Smart contracts graph neural networks symbolic execution vulnerability detection
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Physics-constrained graph neural networks for solving adjoint equations
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作者 Jinpeng Xiang Shufang Song +2 位作者 Wenbo Cao Kuijun Zuo Weiwei Zhang 《Acta Mechanica Sinica》 2026年第1期178-191,共14页
The adjoint method is widely used in gradient-based optimization with high-dimensional design variables.However,the cost of solving the adjoint equations in each iteration is comparable to that of solving the flow fie... The adjoint method is widely used in gradient-based optimization with high-dimensional design variables.However,the cost of solving the adjoint equations in each iteration is comparable to that of solving the flow field,resulting in expensive computational costs.To improve the efficiency of solving adjoint equations,we propose a physics-constrained graph neural networks for solving adjoint equations,named ADJ-PCGN.ADJ-PCGN establishes a mapping relationship between flow characteristics and adjoint vector based on data,serving as a replacement for the computationally expensive numerical solution of adjoint equations.A physics-based graph structure and message-passing mechanism are designed to endow its strong fitting and generalization capabilities.Taking transonic drag reduction and maximum lift-drag ratio of the airfoil as examples,results indicate that ADJ-PCGN attains a similar optimal shape as the classical direct adjoint loop method.In addition,ADJ-PCGN demonstrates strong generalization capabilities across different mesh topologies,mesh densities,and out-of-distribution conditions.It holds the potential to become a universal model for aerodynamic shape optimization involving states,geometries,and meshes. 展开更多
关键词 Adjoint method Deep learning graph neural network Physics-constrained Fast aerodynamic analysis
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KIG:A Knowledge Graph-Guided Iterative-Updating Graph Neural Network for Multisensor Time Series Time-Delay Estimation
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作者 Siyuan Xu Dong Pan +3 位作者 Zhaohui Jiang Zhiwen Chen Haoyang Yu Weihua Gui 《IEEE/CAA Journal of Automatica Sinica》 2026年第2期327-345,共19页
Temporal alignment of multisensor time series(MTS)is a critical prerequisite for accurate modeling and optimal control in subsequent data-driven applications.Nevertheless,many approaches frequently neglect to consider... Temporal alignment of multisensor time series(MTS)is a critical prerequisite for accurate modeling and optimal control in subsequent data-driven applications.Nevertheless,many approaches frequently neglect to consider the complex interdependencies between different sensors in MTS,and temporal alignment in many methods is typically treated as an isolated task disconnected from the downstream objectives,leading to unsatisfactory performances in follow-up applications.To address these challenges,this paper proposes a novel knowledge graph(KG)-guided iterative-updating graph neural network(GNN)for time-delay estimation(TDE)in MTS.Initially,a domain-specific KG is constructed from domain mechanism knowledge,providing a foundation for GNN's initialization.Next,capitalizing on the inherent structure of the graph topology,a GNN-based TDE method is developed.Then,a customized loss function is constructed,which synthesizes both the performances of downstream tasks and graph-based constraints.Moreover,an innovative algorithm for GNN structure learning and iterative-updating is proposed to renovate the graph structure further.Finally,experimental results across various regression and classification tasks on numerical simulation,public datasets,and the real blast furnace ironmaking dataset demonstrate that the proposed method can achieve accurate temporal alignment of MTS. 展开更多
关键词 Blast furnace ironmaking process graph neural network(GNN) knowledge graph(KG) multisensor time series(MTS) temporal alignment time-delay estimation(TDE)
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Spatio-Temporal Graph Neural Networks with Elastic-Band Transform for Solar Radiation Prediction
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作者 Guebin Choi 《Computer Modeling in Engineering & Sciences》 2026年第1期848-872,共25页
This study proposes a novel forecasting framework that simultaneously captures the strong periodicity and irregular meteorological fluctuations inherent in solar radiation time series.Existing approaches typically def... This study proposes a novel forecasting framework that simultaneously captures the strong periodicity and irregular meteorological fluctuations inherent in solar radiation time series.Existing approaches typically define inter-regional correlations using either simple correlation coefficients or distance-based measures when applying spatio-temporal graph neural networks(STGNNs).However,such definitions are prone to generating spurious correlations due to the dominance of periodic structures.To address this limitation,we adopt the Elastic-Band Transform(EBT)to decompose solar radiation into periodic and amplitude-modulated components,which are then modeled independently with separate graph neural networks.The periodic component,characterized by strong nationwide correlations,is learned with a relatively simple architecture,whereas the amplitude-modulated component is modeled with more complex STGNNs that capture climatological similarities between regions.The predictions from the two components are subsequently recombined to yield final forecasts that integrate both periodic patterns and aperiodic variability.The proposed framework is validated with multiple STGNN architectures,and experimental results demonstrate improved predictive accuracy and interpretability compared to conventional methods. 展开更多
关键词 Spatio-temporal graph neural network(STGNN) elastic-band transform(EBT) solar radiation fore-casting spurious correlation time series decomposition
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Occluded Gait Emotion Recognition Based on Multi-Scale Suppression Graph Convolutional Network
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作者 Yuxiang Zou Ning He +2 位作者 Jiwu Sun Xunrui Huang Wenhua Wang 《Computers, Materials & Continua》 SCIE EI 2025年第1期1255-1276,共22页
In recent years,gait-based emotion recognition has been widely applied in the field of computer vision.However,existing gait emotion recognition methods typically rely on complete human skeleton data,and their accurac... In recent years,gait-based emotion recognition has been widely applied in the field of computer vision.However,existing gait emotion recognition methods typically rely on complete human skeleton data,and their accuracy significantly declines when the data is occluded.To enhance the accuracy of gait emotion recognition under occlusion,this paper proposes a Multi-scale Suppression Graph ConvolutionalNetwork(MS-GCN).TheMS-GCN consists of three main components:Joint Interpolation Module(JI Moudle),Multi-scale Temporal Convolution Network(MS-TCN),and Suppression Graph Convolutional Network(SGCN).The JI Module completes the spatially occluded skeletal joints using the(K-Nearest Neighbors)KNN interpolation method.The MS-TCN employs convolutional kernels of various sizes to comprehensively capture the emotional information embedded in the gait,compensating for the temporal occlusion of gait information.The SGCN extracts more non-prominent human gait features by suppressing the extraction of key body part features,thereby reducing the negative impact of occlusion on emotion recognition results.The proposed method is evaluated on two comprehensive datasets:Emotion-Gait,containing 4227 real gaits from sources like BML,ICT-Pollick,and ELMD,and 1000 synthetic gaits generated using STEP-Gen technology,and ELMB,consisting of 3924 gaits,with 1835 labeled with emotions such as“Happy,”“Sad,”“Angry,”and“Neutral.”On the standard datasets Emotion-Gait and ELMB,the proposed method achieved accuracies of 0.900 and 0.896,respectively,attaining performance comparable to other state-ofthe-artmethods.Furthermore,on occlusion datasets,the proposedmethod significantly mitigates the performance degradation caused by occlusion compared to other methods,the accuracy is significantly higher than that of other methods. 展开更多
关键词 KNN interpolation multi-scale temporal convolution suppression graph convolutional network gait emotion recognition human skeleton
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Faulty-feeder Detection Based on Sparse Waveform Encoding and Simple Convolutional Neural Network with Multi-scale Filters and One Layer of Convolution
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作者 Jiawei Yuan Tong Wu Zaibin Jiao 《CSEE Journal of Power and Energy Systems》 2025年第5期2150-2164,共15页
Faulty-feeder detection in neutral point noneffectively grounded distribution networks consistently attracts research attention since it directly affects quality and safety of energy supply.Most modern research on fau... Faulty-feeder detection in neutral point noneffectively grounded distribution networks consistently attracts research attention since it directly affects quality and safety of energy supply.Most modern research on faulty-feeder detection tends to apply more complex digital signal processing techniques and deeper neural networks in order to better extract and learn as many detailed characteristics as possible.However,these approaches may easily result in overfitting and high computational cost,which cannot meet requirements for detection accuracy and efficiency in practical applications.This paper proposes an innovative waveform encoding method and details a simple convolutional neural network(CNN)with one layer of convolution used for identification,which seeks to improve detection accuracy and efficiency simultaneously.First,sparse characteristics of waveforms are utilized to encode into compact vectors,and a waveform-vector matrix is generated.Second,to deduce waveform-vector matrix,a simple CNN with multi-scale filters and one layer of convolution is established.Finally,a methodology for faulty-feeder detection is proposed,and both detection accuracy and efficiency are considerably enhanced.Comparative studies have confirmed clear superiority of the developed method,which outperforms existing approaches in both detection accuracy and efficiency,thus highlighting its significant potential for application. 展开更多
关键词 Convolutional neural network faulty-feeder detection multi-scale filters sparse waveform encoding
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MSSTGCN: Multi-Head Self-Attention and Spatial-Temporal Graph Convolutional Network for Multi-Scale Traffic Flow Prediction
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作者 Xinlu Zong Fan Yu +1 位作者 Zhen Chen Xue Xia 《Computers, Materials & Continua》 2025年第2期3517-3537,共21页
Accurate traffic flow prediction has a profound impact on modern traffic management. Traffic flow has complex spatial-temporal correlations and periodicity, which poses difficulties for precise prediction. To address ... Accurate traffic flow prediction has a profound impact on modern traffic management. Traffic flow has complex spatial-temporal correlations and periodicity, which poses difficulties for precise prediction. To address this problem, a Multi-head Self-attention and Spatial-Temporal Graph Convolutional Network (MSSTGCN) for multiscale traffic flow prediction is proposed. Firstly, to capture the hidden traffic periodicity of traffic flow, traffic flow is divided into three kinds of periods, including hourly, daily, and weekly data. Secondly, a graph attention residual layer is constructed to learn the global spatial features across regions. Local spatial-temporal dependence is captured by using a T-GCN module. Thirdly, a transformer layer is introduced to learn the long-term dependence in time. A position embedding mechanism is introduced to label position information for all traffic sequences. Thus, this multi-head self-attention mechanism can recognize the sequence order and allocate weights for different time nodes. Experimental results on four real-world datasets show that the MSSTGCN performs better than the baseline methods and can be successfully adapted to traffic prediction tasks. 展开更多
关键词 graph convolutional network traffic flow prediction multi-scale traffic flow spatial-temporal model
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Dual Channel Graph Convolutional Networks via Personalized PageRank
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作者 Longlong Lin Xin Luo 《IEEE/CAA Journal of Automatica Sinica》 2026年第1期221-223,共3页
Dear Editor,D2This letter presents a node feature similarity preserving graph convolutional framework P G.Graph neural networks(GNNs)have garnered significant attention for their efficacy in learning graph representat... Dear Editor,D2This letter presents a node feature similarity preserving graph convolutional framework P G.Graph neural networks(GNNs)have garnered significant attention for their efficacy in learning graph representations across diverse real-world applications. 展开更多
关键词 convolutional node feature similarity graph convolutional framework learning graph representations neural networks gnns networkS graph PERSONALIZED
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HGS-ATD:A Hybrid Graph Convolutional Network-GraphSAGE Model for Anomaly Traffic Detection
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作者 Zhian Cui Hailong Li Xieyang Shen 《Journal of Harbin Institute of Technology(New Series)》 2026年第1期33-50,共18页
With network attack technology continuing to develop,traditional anomaly traffic detection methods that rely on feature engineering are increasingly insufficient in efficiency and accuracy.Graph Neural Network(GNN),a ... With network attack technology continuing to develop,traditional anomaly traffic detection methods that rely on feature engineering are increasingly insufficient in efficiency and accuracy.Graph Neural Network(GNN),a promising Deep Learning(DL)approach,has proven to be highly effective in identifying intricate patterns in graph⁃structured data and has already found wide applications in the field of network security.In this paper,we propose a hybrid Graph Convolutional Network(GCN)⁃GraphSAGE model for Anomaly Traffic Detection,namely HGS⁃ATD,which aims to improve the accuracy of anomaly traffic detection by leveraging edge feature learning to better capture the relationships between network entities.We validate the HGS⁃ATD model on four publicly available datasets,including NF⁃UNSW⁃NB15⁃v2.The experimental results show that the enhanced hybrid model is 5.71%to 10.25%higher than the baseline model in terms of accuracy,and the F1⁃score is 5.53%to 11.63%higher than the baseline model,proving that the model can effectively distinguish normal traffic from attack traffic and accurately classify various types of attacks. 展开更多
关键词 anomaly traffic detection graph neural network deep learning graph convolutional network
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Graph Attention Networks for Skin Lesion Classification with CNN-Driven Node Features
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作者 Ghadah Naif Alwakid Samabia Tehsin +3 位作者 Mamoona Humayun Asad Farooq Ibrahim Alrashdi Amjad Alsirhani 《Computers, Materials & Continua》 2026年第1期1964-1984,共21页
Skin diseases affect millions worldwide.Early detection is key to preventing disfigurement,lifelong disability,or death.Dermoscopic images acquired in primary-care settings show high intra-class visual similarity and ... Skin diseases affect millions worldwide.Early detection is key to preventing disfigurement,lifelong disability,or death.Dermoscopic images acquired in primary-care settings show high intra-class visual similarity and severe class imbalance,and occasional imaging artifacts can create ambiguity for state-of-the-art convolutional neural networks(CNNs).We frame skin lesion recognition as graph-based reasoning and,to ensure fair evaluation and avoid data leakage,adopt a strict lesion-level partitioning strategy.Each image is first over-segmented using SLIC(Simple Linear Iterative Clustering)to produce perceptually homogeneous superpixels.These superpixels form the nodes of a region-adjacency graph whose edges encode spatial continuity.Node attributes are 1280-dimensional embeddings extracted with a lightweight yet expressive EfficientNet-B0 backbone,providing strong representational power at modest computational cost.The resulting graphs are processed by a five-layer Graph Attention Network(GAT)that learns to weight inter-node relationships dynamically and aggregates multi-hop context before classifying lesions into seven classes with a log-softmax output.Extensive experiments on the DermaMNIST benchmark show the proposed pipeline achieves 88.35%accuracy and 98.04%AUC,outperforming contemporary CNNs,AutoML approaches,and alternative graph neural networks.An ablation study indicates EfficientNet-B0 produces superior node descriptors compared with ResNet-18 and DenseNet,and that roughly five GAT layers strike a good balance between being too shallow and over-deep while avoiding oversmoothing.The method requires no data augmentation or external metadata,making it a drop-in upgrade for clinical computer-aided diagnosis systems. 展开更多
关键词 graph neural network image classification DermaMNIST dataset graph representation
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Multi-Task Disaster Tweet Classification Using Hybrid TF-IDF and Graph Convolutional Networks
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作者 Basudev Nath Deepak Sahoo +4 位作者 Sudhansu Shekhar Patra Hassan Alkhiri Subrata Chowdhury Sheraz Aslam Kainat Mustafa 《Computers, Materials & Continua》 2026年第5期2077-2099,共23页
Accurate,up to date,and quick information related to any disaster supports disaster management team/authorities to perform quick,easy,and cost-effective response to enhance rescue operations to alleviate the possible ... Accurate,up to date,and quick information related to any disaster supports disaster management team/authorities to perform quick,easy,and cost-effective response to enhance rescue operations to alleviate the possible loss of lives,financial risks,and properties.Due to damaged infrastructure in disaster-affected areas,social media is the only way to share/exchange real time information.Therefore,‘X’(formerly Twitter)has become a major platform for disseminating real-time information during disaster events or emergencies,i.e.,floods and earthquake.Rapid identification of actionable content is critical for effective humanitarian response;however,the brief and noisy nature of tweets makes automated classification challenging.To tackle this problem,this study proposes a hybrid classification framework that integrates term frequency–inverse document frequency(TF-IDF)features with graph convolutional networks(GCNs)to enhance disaster-related tweet analysis.The proposed model performs three classification tasks:identifying disaster-related tweets(achieving 94.47%accuracy),categorizing disaster types(earthquake,flood,and non-disaster)with 91.78%accuracy,and detecting aid requests such as food,donations,and medical assistance(94.64%accuracy).By combining the statistical strengths of TF-IDF with the relational learning capabilities of GCNs,the model attains high accuracy while maintaining computational efficiency and interpretability.The results demonstrate the framework’s strong potential for real-time disaster response,offering valuable insights to support emergency management systems and humanitarian decision-making. 展开更多
关键词 Natural language processing tweet classification graph neural networks deep learning
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Quantifying compatibility mechanisms in traditional Chinese medicine with interpretable graph neural networks 被引量:2
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作者 Jingqi Zeng Xiaobin Jia 《Journal of Pharmaceutical Analysis》 2025年第8期1887-1901,共15页
Traditional Chinese medicine(TCM)features complex compatibility mechanisms involving multicomponent,multi-target,and multi-pathway interactions.This study presents an interpretable graph artificial intelligence(GraphA... Traditional Chinese medicine(TCM)features complex compatibility mechanisms involving multicomponent,multi-target,and multi-pathway interactions.This study presents an interpretable graph artificial intelligence(GraphAI)framework to quantify such mechanisms in Chinese herbal formulas(CHFs).A multidimensional TCM knowledge graph(TCM-MKG;https://zenodo.org/records/13763953)was constructed,integrating seven standardized modules:TCM terminology,Chinese patent medicines(CPMs),Chinese herbal pieces(CHPs),pharmacognostic origins(POs),chemical compounds,biological targets,and diseases.A neighbor-diffusion strategy was used to address the sparsity of compound-target associations,increasing target coverage from 12.0%to 98.7%.Graph neural networks(GNNs)with attention mechanisms were applied to 6,080 CHFs,modeled as graphs with CHPs as nodes.To embed domain-specific semantics,virtual nodes medicinal properties,i.e.,therapeutic nature,flavor,and meridian tropism,were introduced,enabling interpretable modeling of inter-CHP relationships.The model quantitatively captured classical compatibility roles such as“monarch-minister-assistant-guide”,and uncovered TCM etiological types derived from diagnostic and efficacy patterns.Model validation using 215 CHFs used for coronavirus disease 2019(COVID-19)management highlighted Radix Astragali-Rhizoma Phragmitis as a high-attention herb pair.Mass spectrometry(MS)and target prediction identified three active compounds,i.e.,methylinissolin-3-O-glucoside,corydalin,and pingbeinine,which converge on pathways such as neuroactive ligand-receptor interaction,xenobiotic response,and neuronal function,supporting their neuroimmune and detoxification potential.Given their high safety and dietary compatibility,this herb pair may offer therapeutic value for managing long COVID-19.All data and code are openly available(https://github.com/ZENGJingqi/GraphAI-for-TCM),providing a scalable and interpretable platform for TCM mechanism research and discovery of bioactive herbal constituents. 展开更多
关键词 Traditional Chinese medicine graph neural networks Knowledge graph Compatibility mechanism Artificial intelligence Coronavirus disease 2019
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Deep neural networks reveal organic pollutants’dominance in global inflammatory bowel disease
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作者 Iman Waheed Khan Muhammad Mueed Khan Anthony Donato 《Journal of Environmental Sciences》 2026年第2期548-558,共11页
Inflammatory bowel disease(IBD)is increasing globally,with risk factors still poorly understood and influenced by both genetic and environmental factors.The role of atmospheric pollutants,particularly precursor organi... Inflammatory bowel disease(IBD)is increasing globally,with risk factors still poorly understood and influenced by both genetic and environmental factors.The role of atmospheric pollutants,particularly precursor organic pollutants contributing to<2.5μm size particulate matter(PM_(2.5)),remains unclear.In this multi-decadal global study,we investigated their contribution to IBD prevalence using data from the Global Burden of Disease(GBD,1990–2019),NASA’s MERRA-2,and AERONET datasets.A graph neural network(GNN)modeled spatio-temporal dependencies and incorporated immune dysfunction and socio-economic disparities.The dataset was split into 75%training and 25%testing,achieving mean squared errors of 4.3%and 4.6%respectively,with strong predictive validity(R2=0.87).A 10%global increase in organics was associated with a rise in odds ratio(OR)by 0.21(95%CI:0.12–0.29,p<0.001),compared to a smaller OR increase of 0.04(95%CI:0.01–0.09,p<0.001)for PM_(2.5).Regional disparities were evident,with Sub-Saharan Africa exhibiting higher odds ratios(OR=1.25;95%CI:1.09–1.43,p<0.01)than North America(OR=1.08;95%CI:1.03–1.24,p<0.05)at an organic burden of 5μg/m^(3).However,this trend reversed at higher exposure(25μg/m^(3)),where the OR for North America approaches 2,while Sub-Saharan Africa plateaued near 1.5.Notably,particles under 100 nm posed the greatest risk.Concluding,organic pollutants play a disproportionate and size-dependent role in IBD prevalence,with significant regional variability.This underscores the need to consider organics as a distinct environmental risk factor in IBD epidemiology. 展开更多
关键词 graph neural networks Inflammatory bowel disease(IBD) Artificial intelligence(AI) Asymmetric data training Atmospheric pollutants Environmental health risk
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DIGNN-A:Real-Time Network Intrusion Detection with Integrated Neural Networks Based on Dynamic Graph
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作者 Jizhao Liu Minghao Guo 《Computers, Materials & Continua》 SCIE EI 2025年第1期817-842,共26页
The increasing popularity of the Internet and the widespread use of information technology have led to a rise in the number and sophistication of network attacks and security threats.Intrusion detection systems are cr... The increasing popularity of the Internet and the widespread use of information technology have led to a rise in the number and sophistication of network attacks and security threats.Intrusion detection systems are crucial to network security,playing a pivotal role in safeguarding networks from potential threats.However,in the context of an evolving landscape of sophisticated and elusive attacks,existing intrusion detection methodologies often overlook critical aspects such as changes in network topology over time and interactions between hosts.To address these issues,this paper proposes a real-time network intrusion detection method based on graph neural networks.The proposedmethod leverages the advantages of graph neural networks and employs a straightforward graph construction method to represent network traffic as dynamic graph-structured data.Additionally,a graph convolution operation with a multi-head attention mechanism is utilized to enhance the model’s ability to capture the intricate relationships within the graph structure comprehensively.Furthermore,it uses an integrated graph neural network to address dynamic graphs’structural and topological changes at different time points and the challenges of edge embedding in intrusion detection data.The edge classification problem is effectively transformed into node classification by employing a line graph data representation,which facilitates fine-grained intrusion detection tasks on dynamic graph node feature representations.The efficacy of the proposed method is evaluated using two commonly used intrusion detection datasets,UNSW-NB15 and NF-ToN-IoT-v2,and results are compared with previous studies in this field.The experimental results demonstrate that our proposed method achieves 99.3%and 99.96%accuracy on the two datasets,respectively,and outperforms the benchmark model in several evaluation metrics. 展开更多
关键词 Intrusion detection graph neural networks attention mechanisms line graphs dynamic graph neural networks
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Two-Phase Software Fault Localization Based on Relational Graph Convolutional Neural Networks 被引量:1
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作者 Xin Fan Zhenlei Fu +2 位作者 Jian Shu Zuxiong Shen Yun Ge 《Computers, Materials & Continua》 2025年第2期2583-2607,共25页
Spectrum-based fault localization (SBFL) generates a ranked list of suspicious elements by using the program execution spectrum, but the excessive number of elements ranked in parallel results in low localization accu... Spectrum-based fault localization (SBFL) generates a ranked list of suspicious elements by using the program execution spectrum, but the excessive number of elements ranked in parallel results in low localization accuracy. Most researchers consider intra-class dependencies to improve localization accuracy. However, some studies show that inter-class method call type faults account for more than 20%, which means such methods still have certain limitations. To solve the above problems, this paper proposes a two-phase software fault localization based on relational graph convolutional neural networks (Two-RGCNFL). Firstly, in Phase 1, the method call dependence graph (MCDG) of the program is constructed, the intra-class and inter-class dependencies in MCDG are extracted by using the relational graph convolutional neural network, and the classifier is used to identify the faulty methods. Then, the GraphSMOTE algorithm is improved to alleviate the impact of class imbalance on classification accuracy. Aiming at the problem of parallel ranking of element suspicious values in traditional SBFL technology, in Phase 2, Doc2Vec is used to learn static features, while spectrum information serves as dynamic features. A RankNet model based on siamese multi-layer perceptron is constructed to score and rank statements in the faulty method. This work conducts experiments on 5 real projects of Defects4J benchmark. Experimental results show that, compared with the traditional SBFL technique and two baseline methods, our approach improves the Top-1 accuracy by 262.86%, 29.59% and 53.01%, respectively, which verifies the effectiveness of Two-RGCNFL. Furthermore, this work verifies the importance of inter-class dependencies through ablation experiments. 展开更多
关键词 Software fault localization graph neural network RankNet inter-class dependency class imbalance
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