Multi-granularity contrastive learning model for next POI recommendation.

Next Point-of-Interest (POI) recommendation aims to predict the next POI for users from their historical activities. Existing methods typically rely on location-level POI check-in trajectories to explore user sequential transition patterns, which suffer from the severe check-in data sparsity issue. However, taking into account region-level and category-level POI sequences can help address this issue. Moreover, collaborative information between different granularities of POI sequences is not well utilized, which can facilitate mutual enhancement and benefit to augment user preference learning. To address these challenges, we propose multi-granularity contrastive learning (MGCL) for next POI recommendation, which utilizes multi-granularity representation and contrastive learning to improve the next POI recommendation performance. Specifically, location-level POI graph, category-level, and region-level sequences are first constructed. Then, we use graph convolutional networks on POI graph to extract cross-user sequential transition patterns. Furthermore, self-attention networks are used to learn individual user sequential transition patterns for each granularity level. To capture the collaborative signals between multi-granularity, we apply the contrastive learning approach. Finally, we jointly train the recommendation and contrastive learning tasks. Extensive experiments demonstrate that MGCL is more effective than state-of-the-art methods.

Link Prediction in Dynamic Social Networks Combining Entropy, Causality, and a Graph Convolutional Network Model.

Link prediction is recognized as a crucial means to analyze dynamic social networks, revealing the principles of social relationship evolution. However, the complex topology and temporal evolution characteristics of dynamic social networks pose significant research challenges. This study introduces an innovative fusion framework that incorporates entropy, causality, and a GCN model, focusing specifically on link prediction in dynamic social networks. Firstly, the framework preprocesses the raw data, extracting and recording timestamp information between interactions. It then introduces the concept of "Temporal Information Entropy (TIE)", integrating it into the Node2Vec algorithm's random walk to generate initial feature vectors for nodes in the graph. A causality analysis model is subsequently applied for secondary processing of the generated feature vectors. Following this, an equal dataset is constructed by adjusting the ratio of positive and negative samples. Lastly, a dedicated GCN model is used for model training. Through extensive experimentation in multiple real social networks, the framework proposed in this study demonstrated a better performance than other methods in key evaluation indicators such as precision, recall, F1 score, and accuracy. This study provides a fresh perspective for understanding and predicting link dynamics in social networks and has significant practical value.

Lung Disease Detection Using U-Net Feature Extractor Cascaded by Graph Convolutional Network.

Computed tomography (CT) scans have recently emerged as a major technique for the fast diagnosis of lung diseases via image classification techniques. In this study, we propose a method for the diagnosis of COVID-19 disease with improved accuracy by utilizing graph convolutional networks (GCN) at various layer formations and kernel sizes to extract features from CT scan images. We apply a U-Net model to aid in segmentation and feature extraction. In contrast with previous research retrieving deep features from convolutional filters and pooling layers, which fail to fully consider the spatial connectivity of the nodes, we employ GCNs for classification and prediction to capture spatial connectivity patterns, which provides a significant association benefit. We handle the extracted deep features to form an adjacency matrix that contains a graph structure and pass it to a GCN along with the original image graph and the largest kernel graph. We combine these graphs to form one block of the graph input and then pass it through a GCN with an additional dropout layer to avoid overfitting. Our findings show that the suggested framework, called the feature-extracted graph convolutional network (FGCN), performs better in identifying lung diseases compared to recently proposed deep learning architectures that are not based on graph representations. The proposed model also outperforms a variety of transfer learning models commonly used for medical diagnosis tasks, highlighting the abstraction potential of the graph representation over traditional methods.

Predicting long-term trends in physical properties from short-term molecular dynamics simulations using long short-term memory.

This study proposes a novel long short-term memory (LSTM)-based model for predicting future physical properties based on partial data of molecular dynamics (MD) simulation. It extracts latent vectors from atomic coordinates of MD simulations using graph convolutional network, utilizes LSTM to learn temporal trends in latent vectors and make one-step-ahead predictions of physical properties through fully connected layers. Validating with MD simulations of Ni solid-liquid systems, the model achieved accurate one-step-ahead prediction for time variation of the potential energy during solidification and melting processes using residual connections. Recursive use of predicted values enabled long-term prediction from just the first 20 snapshots of the MD simulation. The prediction has captured the feature of potential energy bending at low temperatures, which represents completion of solidification, despite that the MD data in short time do not have such a bending characteristic. Remarkably, for long-time prediction over 900 ps, the computation time was reduced to 1/700th of a full MD simulation of the same duration. This approach has shown the potential to significantly reduce computational cost for prediction of physical properties by efficiently utilizing the data of MD simulation.

Cross-domain bearing fault diagnosis using dual-path convolutional neural networks and multi-parallel graph convolutional networks.

Bearing fault diagnosis is significant in ensuring large machinery and equipment's safe and stable operation. However, inconsistent operating environments can lead to data distribution differences between source and target domains. As a result, models trained solely on source-domain data may not perform well when applied to the target domain, especially when the target-domain data is unlabeled. Existing approaches focus on improving domain adaptive methods for effective transfer learning but neglect the importance of extracting comprehensive feature information. To tackle this challenge, we present a bearing fault diagnosis approach using dual-path convolutional neural networks (CNNs) and multi-parallel graph convolutional networks (GCNs), called DPC-MGCN, which can be applied to variable working conditions. To obtain complete feature information, DPC-MGCN leverages dual-path CNNs to extract local and global features from vibration signals in both the source and target domains. The attention mechanism is subsequently applied to identify crucial features, which are converted into adjacency matrices. Multi-parallel GCNs are then employed to further explore the structural information among these features. To minimize the distribution differences between the two domains, we incorporate the multi-kernel maximum mean discrepancy (MK-MMD) domain adaptation method. By applying the DPC-MGCN approach for diagnosing bearing faults under diverse working conditions and comparing it with other methods, we demonstrate its superior performance on various datasets.

ACDMBI: A deep learning model based on community division and multi-source biological information fusion predicts essential proteins.

Accurately identifying essential proteins is vital for drug research and disease diagnosis. Traditional centrality methods and machine learning approaches often face challenges in accurately discerning essential proteins, primarily relying on information derived from protein-protein interaction (PPI) networks. Despite attempts by some researchers to integrate biological data and PPI networks for predicting essential proteins, designing effective integration methods remains a challenge. In response to these challenges, this paper presents the ACDMBI model, specifically designed to overcome the aforementioned issues. ACDMBI is comprised of two key modules: feature extraction and classification. In terms of capturing relevant information, we draw insights from three distinct data sources. Initially, structural features of proteins are extracted from the PPI network through community division. Subsequently, these features are further optimized using Graph Convolutional Networks (GCN) and Graph Attention Networks (GAT). Moving forward, protein features are extracted from gene expression data utilizing Bidirectional Long Short-Term Memory networks (BiLSTM) and a multi-head self-attention mechanism. Finally, protein features are derived by mapping subcellular localization data to a one-dimensional vector and processing it through fully connected layers. In the classification phase, we integrate features extracted from three different data sources, crafting a multi-layer deep neural network (DNN) for protein classification prediction. Experimental results on brewing yeast data showcase the ACDMBI model's superior performance, with AUC reaching 0.9533 and AUPR reaching 0.9153. Ablation experiments further reveal that the effective integration of features from diverse biological information significantly boosts the model's performance.

Human Motion Enhancement and Restoration via Unconstrained Human Structure Learning.

Human motion capture technology, which leverages sensors to track the movement trajectories of key skeleton points, has been progressively transitioning from industrial applications to broader civilian applications in recent years. It finds extensive use in fields such as game development, digital human modeling, and sport science. However, the affordability of these sensors often compromises the accuracy of motion data. Low-cost motion capture methods often lead to errors in the captured motion data. We introduce a novel approach for human motion reconstruction and enhancement using spatio-temporal attention-based graph convolutional networks (ST-ATGCNs), which efficiently learn the human skeleton structure and the motion logic without requiring prior human kinematic knowledge. This method enables unsupervised motion data restoration and significantly reduces the costs associated with obtaining precise motion capture data. Our experiments, conducted on two extensive motion datasets and with real motion capture sensors such as the SONY (Tokyo, Japan) mocopi, demonstrate the method's effectiveness in enhancing the quality of low-precision motion capture data. The experiments indicate the ST-ATGCN's potential to improve both the accessibility and accuracy of motion capture technology.

Similarity-guided graph contrastive learning for lncRNA-disease association prediction.

The increasing research evidence indicates that long non-coding RNAs (lncRNAs) play important roles in regulating biological processes and are closely associated with many human diseases. Computational methods have emerged as indispensable tools for identifying associations between long non-coding RNA (lncRNA) and diseases, primarily due to the time-consuming and costly nature of traditional biological experiments. Given the scarcity of verified lncRNA-disease associations, the intensifying focus on deep learning is playing a crucial role in refining the accuracy of predictive models. Moreover, the contrastive learning method exhibits a clear advantage in situations where data is scarce or annotation costs are high. In this paper, we leverage the advantages of graph neural networks and contrastive learning to innovatively propose a similarity-guided graph contrastive learning (SGGCL) model for predicting lncRNA-disease associations. In the SGGCL model, we employ a novel similarity-guided graph data augmentation method to generate high-quality positive and negative sample pairs, addressing the scarcity of verified data. Additionally, we utilize the RWR algorithm and a graph convolutional neural network for contrastive learning, facilitating the capture of global topology and high-level node embeddings. The experimental results on several datasets demonstrate the superior predictive performance and scalability of our method in lncRNA-disease association prediction compared to state-of-the-art methods.

DRTerHGAT: A drug repurposing method based on the ternary heterogeneous graph attention network.

Drug repurposing is an effective method to reduce the time and cost of drug development. Computational drug repurposing can quickly screen out the most likely associations from large biological databases to achieve effective drug repurposing. However, building a comprehensive model that integrates drugs, proteins, and diseases for drug repurposing remains challenging. This study proposes a drug repurposing method based on the ternary heterogeneous graph attention network (DRTerHGAT). DRTerHGAT designs a novel protein feature extraction process consisting of a large-scale protein language model and a multi-task autoencoder, so that protein features can be extracted accurately and efficiently from amino acid sequences. The ternary heterogeneous graph of drug-protein-disease comprehensively considering the relationships among the three types of nodes, including three homogeneous and three heterogeneous relationships. Based on the graph and the extracted protein features, the deep features of the drugs and the diseases are extracted by graph convolutional networks (GCN) and heterogeneous graph node attention networks (HGNA). In the experiments, DRTerHGAT is proven superior to existing advanced methods and DRTerHGAT variants. DRTerHGAT's powerful ability for drug repurposing is also demonstrated in Alzheimer's disease.

Mesh neural networks for SE(3)-equivariant hemodynamics estimation on the artery wall.

Computational fluid dynamics (CFD) is a valuable asset for patient-specific cardiovascular-disease diagnosis and prognosis, but its high computational demands hamper its adoption in practice. Machine-learning methods that estimate blood flow in individual patients could accelerate or replace CFD simulation to overcome these limitations. In this work, we consider the estimation of vector-valued quantities on the wall of three-dimensional geometric artery models. We employ group-equivariant graph convolution in an end-to-end SE(3)-equivariant neural network that operates directly on triangular surface meshes and makes efficient use of training data. We run experiments on a large dataset of synthetic coronary arteries and find that our method estimates directional wall shear stress (WSS) with an approximation error of 7.6% and normalised mean absolute error (NMAE) of 0.4% while up to two orders of magnitude faster than CFD. Furthermore, we show that our method is powerful enough to accurately predict transient, vector-valued WSS over the cardiac cycle while conditioned on a range of different inflow boundary conditions. These results demonstrate the potential of our proposed method as a plugin replacement for CFD in the personalised prediction of hemodynamic vector and scalar fields.

Research on Lane-Changing Decision Making and Planning of Autonomous Vehicles Based on GCN and Multi-Segment Polynomial Curve Optimization.

This paper considers the interactive effects between the ego vehicle and other vehicles in a dynamic driving environment and proposes an autonomous vehicle lane-changing behavior decision-making and trajectory planning method based on graph convolutional networks (GCNs) and multi-segment polynomial curve optimization. Firstly, hierarchical modeling is applied to the dynamic driving environment, aggregating the dynamic interaction information of driving scenes in the form of graph-structured data. Graph convolutional neural networks are employed to process interaction information and generate ego vehicle's driving behavior decision commands. Subsequently, collision-free drivable areas are constructed based on the dynamic driving scene information. An optimization-based multi-segment polynomial curve trajectory planning method is employed to solve the optimization model, obtaining collision-free motion trajectories satisfying dynamic constraints and efficiently completing the lane-changing behavior of the vehicle. Finally, simulation and on-road vehicle experiments are conducted for the proposed method. The experimental results demonstrate that the proposed method outperforms traditional decision-making and planning methods, exhibiting good robustness, real-time performance, and strong scenario generalization capabilities.

Attributed Multi-Order Graph Convolutional Network for Heterogeneous Graphs.

Heterogeneous graph neural networks play a crucial role in discovering discriminative node embeddings and relations from multi-relational networks. One of the key challenges in heterogeneous graph learning lies in designing learnable meta-paths, which significantly impact the quality of learned embeddings. In this paper, we propose an Attributed Multi-Order Graph Convolutional Network (AMOGCN), which automatically explores meta-paths that involve multi-hop neighbors by aggregating multi-order adjacency matrices. The proposed model first constructs different orders of adjacency matrices from manually designed node connections. Next, AMOGCN fuses these various orders of adjacency matrices to create an intact multi-order adjacency matrix. This process is supervised by the node semantic information, which is extracted from the node homophily evaluated by attributes. Eventually, we employ a one-layer simplifying graph convolutional network with the learned multi-order adjacency matrix, which is equivalent to the cross-hop node information propagation with multi-layer graph neural networks. Substantial experiments reveal that AMOGCN achieves superior semi-supervised classification performance compared with state-of-the-art competitors.

Spatio-temporal information enhance graph convolutional networks: A deep learning framework for ride-hailing demand prediction.

Ride-hailing demand prediction is essential in fundamental research areas such as optimizing vehicle scheduling, improving service quality, and reducing urban traffic pressure. Therefore, achieving accurate and timely demand prediction is crucial. To solve the problems of inaccurate prediction results and difficulty in capturing the influence of external spatiotemporal factors in demand prediction of previous methods, this paper proposes a demand prediction model named as the spatiotemporal information enhance graph convolution network. Through correlation analysis, the model extracts the primary correlation information between external spatiotemporal factors and demand and encodes them to form feature units of the area. We utilize gated recurrent units and graph convolutional networks to capture the spatiotemporal dependencies between demand and external factors, respectively, thereby enhancing the model's perceptiveness to external spatiotemporal factors. To verify the model's validity, we conducted comparative and portability experiments on a relevant dataset of Chengdu City. The experimental results show that the model's prediction is better than the baseline model when incorporating external factors, and the errors are very close under different experimental areas. This result highlights the importance of external spatiotemporal factors for model performance enhancement. Also, it demonstrates the robustness of the model in different environments, providing excellent performance and broad application potential for ride-hailing prediction studies.

Prediction of lncRNA and disease associations based on residual graph convolutional networks with attention mechanism.

LncRNAs are non-coding RNAs with a length of more than 200 nucleotides. More and more evidence shows that lncRNAs are inextricably linked with diseases. To make up for the shortcomings of traditional methods, researchers began to collect relevant biological data in the database and used bioinformatics prediction tools to predict the associations between lncRNAs and diseases, which greatly improved the efficiency of the study. To improve the prediction accuracy of current methods, we propose a new lncRNA-disease associations prediction method with attention mechanism, called ResGCN-A. Firstly, we integrated lncRNA functional similarity, lncRNA Gaussian interaction profile kernel similarity, disease semantic similarity, and disease Gaussian interaction profile kernel similarity to obtain lncRNA comprehensive similarity and disease comprehensive similarity. Secondly, the residual graph convolutional network was used to extract the local features of lncRNAs and diseases. Thirdly, the new attention mechanism was used to assign the weight of the above features to further obtain the potential features of lncRNAs and diseases. Finally, the training set required by the Extra-Trees classifier was obtained by concatenating potential features, and the potential associations between lncRNAs and diseases were obtained by the trained Extra-Trees classifier. ResGCN-A combines the residual graph convolutional network with the attention mechanism to realize the local and global features fusion of lncRNA and diseases, which is beneficial to obtain more accurate features and improve the prediction accuracy. In the experiment, ResGCN-A was compared with five other methods through 5-fold cross-validation. The results show that the AUC value and AUPR value obtained by ResGCN-A are 0.9916 and 0.9951, which are superior to the other five methods. In addition, case studies and robustness evaluation have shown that ResGCN-A is an effective method for predicting lncRNA-disease associations. The source code for ResGCN-A will be available at https://github.com/Wangxiuxiun/ResGCN-A .

Eliminating bias: enhancing children's book recommendation using a hybrid model of graph convolutional networks and neural matrix factorization.

Managing user bias in large-scale user review data is a significant challenge in optimizing children's book recommendation systems. To tackle this issue, this study introduces a novel hybrid model that combines graph convolutional networks (GCN) based on bipartite graphs and neural matrix factorization (NMF). This model aims to enhance the precision and efficiency of children's book recommendations by accurately capturing user biases. In this model, the complex interactions between users and books are modeled as a bipartite graph, with the users' book ratings serving as the weights of the edges. Through GCN and NMF, we can delve into the structure of the graph and the behavioral patterns of users, more accurately identify and address user biases, and predict their future behaviors. Compared to traditional recommendation systems, our hybrid model excels in handling large-scale user review data. Experimental results confirm that our model has significantly improved in terms of recommendation accuracy and scalability, positively contributing to the advancement of children's book recommendation systems.

HR-BGCN : Predicting readmission for heart failure from electronic health records.

Heart failure has become a huge public health problem, and failure to accurately predict readmission will further lead to the disease's high cost and high mortality. The construction of readmission prediction model can assist doctors in making decisions to prevent patients from deteriorating and reduce the cost burden. This paper extracts the patient discharge records from the MIMIC-III database. It divides the patients into three research categories: no readmission, readmission within 30 days, and readmission after 30 days, to predict the readmission of patients. We propose the HR-BGCN model to predict the readmission of patients. First, we use the Adaptive-TMix to improve the prediction indicators of a few categories and reduce the impact of unbalanced categories. Then, the knowledge-informed graph attention mechanism is proposed. By introducing a document-level explicit diagram structure, the coding ability of graph node features is significantly improved. The paragraph-level representation obtained through graph learning is combined with the context token-level representation of BERT, and finally, the multi-classification task is carried out. We also compare several typical graph learning classification models to verify the model's effectiveness, such as the IA-GCN model, GAT model, etc. The results show that the average F1 score of the HR-BGCN model proposed in this paper for 30-day readmission of heart failure patients is 88.26%, and the average accuracy is 90.47%. The HR-BGCN model is significantly better than the graph learning classification model for predicting heart failure readmission. It can help doctors predict the 30-day readmission of patients, then reduce the readmission rate of patients.

Word distance assisted dual graph convolutional networks for accurate and fast aspect-level sentiment analysis.

Aspect-level sentiment analysis can provide a fine-grain sentiment classification for inferring the sentiment polarity of specific aspects. Graph convolutional network (GCN) becomes increasingly popular because its graph structure can characterize the words' correlation for extracting more sentiment information. However, the word distance is often ignored and cause the cross-misclassification of different aspects. To address the problem, we propose a novel dual GCN structure to take advantage of word distance, syntactic information, and sentiment knowledge in a joint way. The word distance is not only used to enhance the syntactic dependency tree, but also to construct a new graph with semantic knowledge. Then, the two kinds of word distance assisted graphs are fed into two GCNs for further classification. The comprehensive results on two self-collected Chinese datasets (MOOC comments and Douban book reviews) as well as five open-source English datasets, demonstrate that our proposed approach achieves higher classification accuracy than the state-of-the-art methods with up to 1.81x training acceleration.

Identifying promoter and enhancer sequences by graph convolutional networks.

Identification of promoters, enhancers, and their interactions helps understand genetic regulation. This study proposes a graph-based semi-supervised learning model (GCN4EPI) for the enhancer-promoter classification problem. We adopt a graph convolutional network (GCN) architecture to integrate interaction information with sequence features. Nodes of the constructed graph hold word embeddings of DNA sequences while edges hold the Enhancer-Promoter Interaction (EPI) information. By means of semi-supervised learning, much less data (16%) and time are needed in model training. Comparisons on a benchmark dataset of six human cell lines show that the proposed approach outperforms the state-of-the-art methods by a large margin (10% higher F1 score) and has the fastest training time (up to 3 times). Moreover, GCN4EPI's performance on cross-cell line data is also better than the baselines (3% higher F1 score). Our qualitative analyses with graph explainability models prove that GCN4EPI learns from both text and graph structure. The results suggest that integrating interaction information with sequence features improves predictive performance and compensates for the number of training instances.

Drug-target Affinity Prediction by Molecule Secondary Structure Representation Network.

INTRODUCTION: Identification of drug-target interactions (DTI) is a crucial step in drug development with high specificity and low toxicity. To accelerate the process, computer-aided DTI prediction algorithms have been used to screen compounds or targets rapidly. Furthermore, DTI prediction can be used to identify potential targets for existing drugs, thus uncovering new indications and repositioning them. Therefore, it is of great importance to develop efficient and accurate DTI prediction algorithms. METHOD: Current algorithms usually represent drugs as extracted features, which are learned by convolutional neural networks (CNNs) from its linear representation, or utilize graph neural networks (GNNs) to learn its graph representation. However, these methods either lose information or fail to capture the structural information of the drug. To address this issue, a novel molecule secondary structure representation network (MSSRN) is proposed to learn drug characterization more accurately. Firstly, the network performs relational graph convolutional networks (R-GCNs) on the drug's molecular graph and integrates drug sequence convolutions to learn the sequential information. Secondly, inspired by the attention mechanism, spatial importance weights of the drug sequence are calculated to guide R-GCNs to learn the topological information of the drug. RESULT: A drug-target affinity model, called MSSRN-DTA, was then constructed by using MSSRN to learn drug structure and CNN to learn protein sequence. CONCLUSION: The effectiveness of the proposed method is verified by comparing it with other alternative methods and baseline models on two benchmark datasets.

Time-Aware Dual LSTM Neural Network with Similarity Graph Learning for Remote Sensing Service Recommendation.

Technological progress has led to significant advancements in Earth observation and satellite systems. However, some services associated with remote sensing face issues related to timeliness and relevance, which affect the application of remote sensing resources in various fields and disciplines. The challenge now is to help end-users make precise decisions and recommendations for relevant resources that meet the demands of their specific domains from the vast array of remote sensing resources available. In this study, we propose a remote sensing resource service recommendation model that incorporates a time-aware dual LSTM neural network with similarity graph learning. We further use the stream push technology to enhance the model. We first construct interaction history behavior sequences based on users' resource search history. Then, we establish a category similarity relationship graph structure based on the cosine similarity matrix between remote sensing resource categories. Next, we use LSTM to represent historical sequences and Graph Convolutional Networks (GCN) to represent graph structures. We construct similarity relationship sequences by combining historical sequences to explore exact similarity relationships using LSTM. We embed user IDs to model users' unique characteristics. By implementing three modeling approaches, we can achieve precise recommendations for remote sensing services. Finally, we conduct experiments to evaluate our methods using three datasets, and the experimental results show that our method outperforms the state-of-the-art algorithms.