Graph Convolutional Method Research Articles

Graph‐Based Representation Approach for Deep Learning of Organic Light‐Emitting Diode Devices

The performance prediction of organic light‐emitting diode (OLED) devices using artificial intelligence is significantly limited due to the lack of representational feature data. This study proposes a novel graph‐based representation methodology to effectively address these challenges. Various graph convolution methods are explored, resulting in an ideal representation of the device parameters in the static equilibrium state, which is crucial for accurate modeling. This representation not only exhibits parameter‐like characteristics but also encapsulates essential physical meanings that enhance interpretability. Additionally, the trained predictive model demonstrates relatively high accuracy, making it a reliable tool for practical applications. Finally, this research serves as a valuable initial study for predicting and designing OLED devices, paving the way for future advancements in the field.

MSA-GCN: Multistage Spatio-Temporal Aggregation Graph Convolutional Networks for Traffic Flow Prediction

Timely and accurate traffic flow prediction is crucial for stabilizing road conditions, reducing environmental pollution, and mitigating economic losses. While current graph convolution methods have achieved certain results, they do not fully leverage the true advantages of graph convolution. There is still room for improvement in simultaneously addressing multi-graph convolution, optimizing graphs, and simulating road conditions. Based on this, this paper proposes MSA-GCN: Multistage Spatio-Temporal Aggregation Graph Convolutional Networks for Traffic Flow Prediction. This method overcomes the aforementioned issues by dividing the process into different stages and achieves promising prediction results. In the first stage, we construct a latent similarity adjacency matrix and address the randomness interference features in similarity features through two optimizations using the proposed ConvGRU Attention Layer (CGAL module) and the Causal Similarity Capture Module (CSC module), which includes Granger causality tests. In the second stage, we mine the potential correlation between roads using the Correlation Completion Module (CC module) to create a global correlation adjacency matrix as a complement for potential correlations. In the third stage, we utilize the proposed Auto-LRU autoencoder to pre-train various weather features, encoding them into the model’s prediction process to enhance its ability to simulate the real world and improve interpretability. Finally, in the fourth stage, we fuse these features and use a Bidirectional Gated Recurrent Unit (BiGRU) to model time dependencies, outputting the prediction results through a linear layer. Our model demonstrates a performance improvement of 29.33%, 27.03%, and 23.07% on three real-world datasets (PEMSD8, LOSLOOP, and SZAREA) compared to advanced baseline methods, and various ablation experiments validate the effectiveness of each stage and module.

A Graph Convolutional Network-Based Method for Congested Link Identification

A Graph Convolutional Network-Based Method for Congested Link Identification

AdpSTGCN: Adaptive spatial–temporal graph convolutional network for traffic forecasting

Traffic flow forecasting plays a crucial role in applications such as intelligent transportation systems. Despite significant research in this field, the current methods have limitations that hinder the realization of highly accurate predictions. Existing GCN-based approaches typically rely on a definite graph structure derived from a physical topology or learned from node features, which is insufficient for building intricate spatial relationships among nodes. To address this challenge, we propose an adaptive spatial–temporal graph convolutional network for traffic forecasting. Our approach exploits a multi-head attention mechanism to construct multi-view feature graphs. We then introduce an adaptive graph convolution method to dynamically aggregate and propagate information from both the topology graph and multi-view feature graphs, which are capable of capturing complex spatial correlations across diverse proximity ranges. Furthermore, we designed a cascaded structural framework that combines temporal information with node features using gated dilated causal convolution to ensure the integrated modeling of spatial–temporal dynamics in traffic flow. Experiments on real-world datasets demonstrate that our proposed method outperforms the current mainstream methods, achieving better performance in traffic flow forecasting. The code is available at https://github.com/dhxdla/AdpSTGCN.git.

HGLA: Biomolecular Interaction Prediction based on Mixed High-Order Graph Convolution with Filter Network via LSTM and Channel Attention.

Predicting biomolecular interactions is significant for understanding biological systems. Most existing methods for link prediction are based on graph convolution. Although graph convolution methods are advantageous in extracting structure information of biomolecular interactions, two key challenges still remain. One is how to consider both the immediate and highorder neighbors. Another is how to reduce noise when aggregating high-order neighbors. To address these challenges, we propose a novel method, called mixed high-order graph convolution with filter network via LSTM and channel attention (HGLA), to predict biomolecular interactions. Firstly, the basic and high-order features are extracted respectively through the traditional graph convolutional network (GCN) and the two-layer Higher-Order Graph Convolutional Architectures via Sparsified Neighborhood Mixing (MixHop). Secondly, these features are mixed and input into the filter network composed of LayerNorm, SENet and LSTM to generate filtered features, which are concatenated and used for link prediction. The advantages of HGLA are: 1) HGLA processes high-order features separately, rather than simply concatenating them; 2) HGLA better balances the basic features and high-order features; 3) HGLA effectively filters the noise from high-order neighbors. It outperforms state-ofthe-art networks on four benchmark datasets. The codes are available at https://github.com/zznb123/HGLA.

A novel positive–negative graph convolutional network-based fault diagnosis method with application to complex systems

Fault diagnosis plays a crucial role in ensuring the safe and stable operation of complex industrial systems. Among various existing methods, graph convolutional network (GCN)-based methods can handle graph-structured data commonly found in industrial systems, due to their capability to capture complex relationships within datasets through association graphs. However, conventional GCN models exclusively consider positive association relationship between data, but do not account for the negative one, resulting in embedding vectors that exhibit clustering tendencies and the over-smoothing issue. To address these challenges, a positive–negative GCN-based fault diagnosis method is proposed in this paper. In the method, the conventional association graph is treated as a positive graph, and a corresponding negative one is constructed to capture negative relationships within the dataset. Furthermore, a graph-level data aggregation strategy is introduced to aggregate the information from both association graphs, and incorporate them into the forward propagation process. Fault diagnosis is achieved using a iteratively trained GCN model. Experimental results on two cases demonstrate that the proposed method outperforms existing fault diagnosis methods in terms of diagnostic performance.

Similarity-based Graph Convolution Collaborative Recommendation Approach

With the rapid and iterative development of science and technology, a large amount of information exceeds the range that can be accepted, processed, or effectively utilized by an individual or a system, and recommendation algorithms can, to a certain extent, solve such problems, but traditional recommendation algorithms do not have a good solution to the problems related to data sparsity and recommendation accuracy. A similarity-based graph convolutional neural collaborative recommendation method (GCSCF) is proposed. The similarity algorithm based on the attributes of the item is used to find the item with the highest similarity and has not interacted with the current user, and this item is set to interact with the current user. The relevant interaction information of the user and the item is converted into relative feature vectors; the feature vectors are propagated using a graph convolutional neural network to aggregate the localized information, and the weight coefficients based on the item ratings are normalized to reduce the noise caused by the information aggregation. Comparative experiments are conducted on two public datasets, MovieLens-1M and Movielens-100K, with five baseline models on the set, and using Recall, Normalized Discounted Cumulative Gain (NDCG), and Precision as the evaluation metrics, and the results of the experiments show that the performance of the proposed social recommendation model better than other models.

OHCA-GCN: A novel graph convolutional network-based fault diagnosis method for complex systems via supervised graph construction and optimization

Fault diagnosis is crucial for ensuring the safe and stable operation of complex systems. Recently, graph convolutional network (GCN)-based fault diagnosis method has emerged as a hot research topic due to its ability to effectively handle the association information inherent in the collected dataset. Regarding the method, a fundamental challenge is the construction of the association graph, conventional construction methods struggle to capture the intricate relationships between nodes with complex coupling. Besides, they operate in an unsupervised learning mode, lacking the ability to evaluate and adjust the constructed graph. To handle this challenge, a novel graph convolutional network-based fault diagnosis method via supervised graph construction and optimization (OHCA-GCN) is proposed. Specifically, the supervised orthogonalized-autoencoder is proposed to construct the association graph. Then, a high-order correlation analysis-based graph optimization strategy is proposed to ensure graph sparsity and alleviate the over-smoothing issue. To validate the effectiveness of the proposed method, experiments are carried out on a pulse rectifier dataset from a hardware-in-the-loop platform. The results show that the proposed method exhibits the excellent diagnostic performance compared with the existing methods.

A Novel Local-Global Graph Convolutional Method for Point Cloud Semantic Segmentation.

Although convolutional neural networks (CNNs) have shown good performance on grid data, they are limited in the semantic segmentation of irregular point clouds. This article proposes a novel and effective graph CNN framework, referred to as the local-global graph convolutional method (LGGCM), which can achieve short- and long-range dependencies on point clouds. The key to this framework is the design of local spatial attention convolution (LSA-Conv). The design includes two parts: generating a weighted adjacency matrix of the local graph composed of neighborhood points, and updating and aggregating the features of nodes to obtain the spatial geometric features of the local point cloud. In addition, a smooth module for central points is incorporated into the process of LSA-Conv to enhance the robustness of the convolution against noise interference by adjusting the position coordinates of the points adaptively. The learned robust LSA-Conv features are then fed into a global spatial attention module with the gated unit to extract long-range contextual information and dynamically adjust the weights of features from different stages. The proposed framework, consisting of both encoding and decoding branches, is an end-to-end trainable network for semantic segmentation of 3-D point clouds. The theoretical analysis of the approximation capabilities of LSA-Conv is discussed to determine whether the features of the point cloud can be accurately represented. Experimental results on challenging benchmarks of the 3-D point cloud demonstrate that the proposed framework achieves excellent performance.

Time series prediction for production quality in a machining system using spatial-temporal multi-task graph learning

The quality of multiple-machining-feature parts in batch computer numerical control machining systems is affected by complex spatial-temporal relationships, making accurate prediction difficult. Traditional quality prediction methods are difficult to cope with the challenges posed by the time impact effects generated by batch production sequences and the spatial impact effects generated by the adjacency of machining features of thin-walled parts. Hence, the time series prediction for production quality in a machining system using spatial-temporal multi-task graph learning is proposed to analyze the spatial-temporal impact relationship of machining quality and achieve accurate quality prediction. Specifically, a graph learning-based framework to capture the coupled spatial-temporal effects is designed to represent the spatial topological and temporal relationship of the machining features of batch parts. A novel global-local multi-task spatial-temporal graph learning framework is constructed to simultaneously predict the time series quality of each machining feature at different spatial positions. The global multi-task model aims to extract spatial-temporal coupling data features (i.e., input parameters for machining features at different positions of batch parts) for machining feature clusters based on gated networks and spatial-temporal graph convolution with multi-head attention. Then, the local multi-task model for each feature cluster (round holes, rectangular grooves, etc.) performs individual time series quality prediction regarding multiple quality indicators. Experimental results on a production dataset of a computer numerical control machining system for thin-walled parts show that the proposed method is superior to the conventional models such as a simple spatial-temporal graph convolution method (3.0%, 18.3% and 11.0% improvement in R2, MAE and RMSE) or the model without graph approach (6.5%, 29.8% and 19.8% improvement in R2, MAE and RMSE).

EHR-HGCN: An Enhanced Hybrid Approach for Text Classification Using Heterogeneous Graph Convolutional Networks in Electronic Health Records.

Text classification is a central part of natural language processing, with important applications in understanding the knowledge behind biomedical texts including electronic health records (EHR). In this article, we propose a novel heterogeneous graph convolutional network method for classifying EHR texts. Our method, called EHR-HGCN, is able to combine context-sensitive word and sentence embeddings with structural sentence-level and word-level relation information to perform text classification. EHR-HGCN reframes EHR text classification as a graph classification task to better capture structural information about the document using a heterogeneous graph. To mine contextual information from a document, EHR-HGCN first applies a bidirectional recurrent neural network (BiRNN) on word embeddings obtained via Global Vectors for word representation (GloVe) to obtain context-sensitive word-level and sentence-level embeddings. To mine structural relationships from the document, EHR-HGCN then constructs a heterogeneous graph over the word and sentence embeddings, where sentence-word and word-word relationships are represented by graph edges. Finally, a heterogeneous graph convolutional neural network is used to classify documents by their graph representation. We evaluate EHR-HGCN on a variety of standard text classification benchmarks and find that EHR-HGCN has higher accuracy and F1-score than other representative machine learning and deep learning methods. We also apply EHR-HGCN to the MedLit benchmark and find it performs with high accuracy and F1-score on the task of section classification in EHR texts. Our ablation experiments show that the heterogeneous graph construction and heterogeneous graph convolutional network are critical to the performance of EHR-HGCN.

Convergence criterion of power flow calculation based on graph neural network

In order to solve the problem of current data-driven power flow calculation methods rarely consider the divergence of power flow, which always maps a false system power flow when a divergence power flow case was given, a data-driven power flow convergence method based on DGAT-GPPool graph neural network classifier is proposed. Firstly, to solve the problem that the classical graph convolution method does not consider the edge attribute, a double-view graph attention convolution layer is constructed based on line admittance. Secondly, to solve the existing pooling method also does not consider the edge attribute and the loss of physical meaning of the coarse graph obtained from pooling, a grid partition pooling layer is constructed based on the electrical distance between nodes. Finally, 10000 system samples containing different network topologies are generated based on the IEEE 14-node system and its extended system, the accuracy reaches 99.3% in the testing set after training, and the effectiveness of the improvements in graph convolution and graph pooling is verified by comparative experiments.

Semantic and Correlation Disentangled Graph Convolutions for Multilabel Image Recognition.

Multilabel image recognition (MLR) aims to annotate an image with comprehensive labels and suffers from object occlusion or small object sizes within images. Although the existing works attempt to capture and exploit label correlations to tackle these issues, they predominantly rely on global statistical label correlations as prior knowledge for guiding label prediction, neglecting the unique label correlations present within each image. To overcome this limitation, we propose a semantic and correlation disentangled graph convolution (SCD-GC) method, which builds the image-specific graph and employs graph propagation to reason the labels effectively. Specifically, we introduce a semantic disentangling module to extract categorywise semantic features as graph nodes and develop a correlation disentangling module to extract image-specific label correlations as graph edges. Performing graph convolutions on this image-specific graph allows for better mining of difficult labels with weak visual representations. Visualization experiments reveal that our approach successfully disentangles the dominant label correlations existing within the input image. Through extensive experimentation, we demonstrate that our method achieves superior results on the challenging Microsoft COCO (MS-COCO), PASCAL visual object classes (PASCAL-VOC), NUS web image dataset (NUS-WIDE), and Visual Genome 500 (VG-500) datasets. Code is available at GitHub: https://github.com/caigitrepo/SCDGC.

A GraphSAGE-based model with fingerprints only to predict drug-drug interactions.

Drugs are an effective way to treat various diseases. Some diseases are so complicated that the effect of a single drug for such diseases is limited, which has led to the emergence of combination drug therapy. The use multiple drugs to treat these diseases can improve the drug efficacy, but it can also bring adverse effects. Thus, it is essential to determine drug-drug interactions (DDIs). Recently, deep learning algorithms have become popular to design DDI prediction models. However, most deep learning-based models need several types of drug properties, inducing the application problems for drugs without these properties. In this study, a new deep learning-based model was designed to predict DDIs. For wide applications, drugs were first represented by commonly used properties, referred to as fingerprint features. Then, these features were perfectly fused with the drug interaction network by a type of graph convolutional network method, GraphSAGE, yielding high-level drug features. The inner product was adopted to score the strength of drug pairs. The model was evaluated by 10-fold cross-validation, resulting in an AUROC of 0.9704 and AUPR of 0.9727. Such performance was better than the previous model which directly used drug fingerprint features and was competitive compared with some other previous models that used more drug properties. Furthermore, the ablation tests indicated the importance of the main parts of the model, and we analyzed the strengths and limitations of a model for drugs with different degrees in the network. This model identified some novel DDIs that may bring expected benefits, such as the combination of PEA and cannabinol that may produce better effects. DDIs that may cause unexpected side effects have also been discovered, such as the combined use of WIN 55,212-2 and cannabinol. These DDIs can provide novel insights for treating complex diseases or avoiding adverse drug events.

Temporal Dynamic Synchronous Functional Brain Network for Schizophrenia Classification and Lateralization Analysis.

Available evidence suggests that dynamic functional connectivity can capture time-varying abnormalities in brain activity in resting-state cerebral functional magnetic resonance imaging (rs-fMRI) data and has a natural advantage in uncovering mechanisms of abnormal brain activity in schizophrenia (SZ) patients. Hence, an advanced dynamic brain network analysis model called the temporal brain category graph convolutional network (Temporal-BCGCN) was employed. Firstly, a unique dynamic brain network analysis module, DSF-BrainNet, was designed to construct dynamic synchronization features. Subsequently, a revolutionary graph convolution method, TemporalConv, was proposed based on the synchronous temporal properties of features. Finally, the first modular test tool for abnormal hemispherical lateralization in deep learning based on rs-fMRI data, named CategoryPool, was proposed. This study was validated on COBRE and UCLA datasets and achieved 83.62% and 89.71% average accuracies, respectively, outperforming the baseline model and other state-of-theart methods. The ablation results also demonstrate the advantages of TemporalConv over the traditional edge feature graph convolution approach and the improvement of CategoryPool over the classical graph pooling approach. Interestingly, this study showed that the lower-order perceptual system and higher-order network regions in the left hemisphere are more severely dysfunctional than in the right hemisphere in SZ, reaffirmings the importance of the left medial superior frontal gyrus in SZ. Our code was available at: https://github.com/swfen/Temporal-BCGCN.

From Cluster Assumption to Graph Convolution: Graph-Based Semi-Supervised Learning Revisited.

Graph-based semi-supervised learning (GSSL) has long been a research focus. Traditional methods are generally shallow learners, based on the cluster assumption. Recently, graph convolutional networks (GCNs) have become the predominant techniques for their promising performance. However, a critical question remains largely unanswered: why do deep GCNs encounter the oversmoothing problem, while traditional shallow GSSL methods do not, despite both progressing through the graph in a similar iterative manner? In this article, we theoretically discuss the relationship between these two types of methods in a unified optimization framework. One of the most intriguing findings is that, unlike traditional ones, typical GCNs may not effectively incorporate both graph structure and label information at each layer. Motivated by this, we propose three simple but powerful graph convolution methods. The first, optimized simple graph convolution (), is a supervised method, which guides the graph convolution process with labels. The others are two "no-learning" unsupervised methods: graph structure preserving graph convolution () and its multiscale version GGCM, both aiming to preserve the graph structure information during the convolution process. Finally, we conduct extensive experiments to show the effectiveness of our methods.

Residual-aware deep attention graph convolutional network via unveiling data latent interactions for product quality prediction in industrial processes

Data-driven modeling based on deep learning is crucial for online product quality prediction in industrial processes. Extracting latent data interactions from sensor variables lies at the core of various data-driven modeling applications. Typically, the observed variables exhibit non-stationary properties due to changes in operating conditions and sensor tuning issues. These fluctuations inevitably affect the reliability of traditional feature extraction methods, thus hindering their applications. Hence, this paper proposes a novel method named residual-aware deep attention graph convolutional network (RaDA-GCN) to explore potential interactions among sensor variables. RaDA-GCN ingeniously incorporates an attention mechanism into the graph convolution layer to extract nonlinear variable-related features according to their importance. Then, a novel residual-aware connection module is designed to reduce data uncertainty and alleviate over-smoothing. By skillfully stacking multiple attention map convolutional layers with the integration of residual-aware connections, deep structural features are obtained to facilitate the effective quantification and revelation of potential relationships among data variables. Finally, the application of the predictive modeling framework based on the proposed method is used to validate its effectiveness in actual industrial process data. The experimental results demonstrate that the proposed RaDA-GCN method exhibits a 23% improvement in the R-squared (R2) indicator and a 13% reduction in the root mean square error (RMSE) compared to the traditional graph convolutional network method.

PLU-MCN: Perturbation learning enhanced U-shaped multi-graph convolutional network for traffic flow prediction

Traffic flow prediction is a challenging task in intelligent transportation systems. To improve the accuracy of traffic flow prediction, graph convolutional neural networks and traffic networks are usually combined to reveal dynamic spatial-temporal correlations. However, the existing graph convolution methods need to repeatedly preprocess data of the same type due to network fluctuations, hardware failures, and other troublesome factors. To address this challenge, a novel Perturbation Learning enhanced U-shaped Multi-graph Convolutional Network (PLU-MCN) is proposed. Specifically, PLU-MCN consists of a Perturbation Learning (PL) module and a U-shaped Multi-graph Convolutional Network (U-MCN) based on encoder-decoder architecture. The PL module is designed based on residual convolution and residual transpose convolution to learn perturbation-resistant features from historical time series in the presence of perturbations. The U-MCN consists of multi-graph convolutional modules based on U-Net to extract dynamic spatial-temporal features from the internal and external information of the perturbation-resistant features and output the final predicted values. Compared with existing state-of-the-art models, the PLU-MCN model demonstrated excellently predictive accuracy and reliability in experiments based on five real-world datasets. The key source code and data are available at https://github.com/Bounger2/PLUMCN.

Brain-inspired GCN: Modularity-based Siamese simple graph convolutional networks

In graph representation learning, Graph Convolutional Networks (GCNs) and their variants have received much attention. However, GCNs encounter oversmoothing as the models get deeper, limiting their ability to aggregate node representations within high-order neighborhood. Inspired by the modular structure of the brain network, we propose Modularity-based Siamese Simple Graph Convolution (MS-SGC), a Siamese network architecture that incorporates the characteristics of brain modular structure into graph convolutional networks. Spectral clustering is leveraged to detect the modular structure in the graph, and then the weight of cross edges between modules is lowered. Siamese network is adopted to combine the modularity-preserved graph representation with the original graph representation, improving classification performance and reducing oversmoothing. Furthermore, a graph convolution method that functions as a linear low-pass graph filter is elaborated through spectral analysis to preserve the similarity of nodes within the same module and further alleviate the oversmoothing problem. We validate the effectiveness of MS-SGC on citation networks and extend our experimental analysis to various downstream tasks. Extensive experiments demonstrate that MS-SGC outperforms state-of-the-arts while reducing the time and computation complexity for node classification. Moreover, MS-SGC achieves competitive performance compared to other state-of-the-arts in node clustering, community prediction and text classification tasks.

Adaptive Graph Convolution Methods for Attributed Graph Clustering

Attributed graph clustering is a challenging task as it requires to jointly model graph structure and node attributes. Although recent advances in graph convolutional networks have shown the effectiveness of graph convolution in combining structural and content information, there is limited understanding of how to properly apply it for attributed graph clustering. Previous methods commonly use a fixed and low order graph convolution, which only aggregates information of few-hop neighbours and hence cannot fully capture the cluster structures of diverse graphs. In this paper, we first propose an adaptive graph convolution method (AGC) for attributed graph clustering, which exploits high-order graph convolutions to capture global cluster structures and adaptively selects an appropriate order <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex-math notation="LaTeX">$k$</tex-math></inline-formula> via intra-cluster distance. While AGC can find a reasonable <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex-math notation="LaTeX">$k$</tex-math></inline-formula> and avoid over-smoothing, it is not sensitive to the gradual decline of clustering performance as <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex-math notation="LaTeX">$k$</tex-math></inline-formula> increases. To search for a better <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex-math notation="LaTeX">$k$</tex-math></inline-formula> , we further propose an improved adaptive graph convolution method (IAGC) that not only observes the variation of intra-cluster distance, but also considers the inconsistencies of filtered features with graph structure and raw features, respectively. We establish the validity of our methods by theoretical analysis and extensive experiments on various benchmark datasets.