Detecting Manipulation in NFT Market Using Graph-based Deep Learning

With the rapid development of graph neural network technology, its application in the field of natural language processing is more and more extensive, text classification is one of the important applications, everyday life will produce a large number of non-Euclidean text data, while the traditional classification methods in the graphic structure of text data has been a great challenge. Graph convolutional neural network(GCN) is considered to be able to model the structural attributes and node feature information of graphs well, and is gradually becoming a good choice for text classification of graph data. This paper proposes a text classification model based on graph convolution network and neural network local enhancement. On the basis of using GCN to extract features, Bi-LSTM method is used to balance the experimental results, enrich the feature information by capturing local information, integrate the attention mechanism, and fuse the evaluation values to improve the accuracy of classification. It is verified that this method has achieved better results than the existing classification methods in many classical data sets such as 20NG and OHSUMED.

Sex classification is a major benchmark of previous work in learning on the structural connectome, a naturally occurring brain graph that has proven useful for studying cognitive function and impairment. While graph neural networks (GNNs), specifically graph convolutional networks (GCNs), have gained popularity lately for their effectiveness in learning on graph data, achieving strong performance in adult sex classification tasks, their application to pediatric populations remains unexplored. We seek to characterize the capacity for GNN models to learn connectomic patterns on pediatric data through an exploration of training techniques and architectural design choices. Two datasets comprising an adult BRIGHT dataset (N = 147 Hodgkin's lymphoma survivors and N = 162 age similar controls) and a pediatric Human Connectome Project in Development (HCP-D) dataset (N = 135 healthy subjects) were utilized. Two GNN models (GCN simple and GCN residual), a deep neural network (multi-layer perceptron), and two standard machine learning models (random forest and support vector machine) were trained. Architecture exploration experiments were conducted to evaluate the impact of network depth, pooling techniques, and skip connections on the ability of GNN models to capture connectomic patterns. Models were assessed across a range of metrics including accuracy, AUC score, and adversarial robustness. GNNs outperformed other models across both populations. Notably, adult GNN models achieved 85.1% accuracy in sex classification on unseen adult participants, consistent with prior studies. The extension of the adult models to the pediatric dataset and training on the smaller pediatric dataset were sub-optimal in their performance. Using adult data to augment pediatric models, the best GNN achieved comparable accuracy across unseen pediatric (83.0%) and adult (81.3%) participants. Adversarial sensitivity experiments showed that the simple GCN remained the most robust to perturbations, followed by the multi-layer perceptron and the residual GCN. These findings underscore the potential of GNNs in advancing our understanding of sex-specific neurological development and disorders and highlight the importance of data augmentation in overcoming challenges associated with small pediatric datasets. Further, they highlight relevant tradeoffs in the design landscape of connectomic GNNs. For example, while the simpler GNN model tested exhibits marginally worse accuracy and AUC scores in comparison to the more complex residual GNN, it demonstrates a higher degree of adversarial robustness.

The study population contains 145 patients who were prospectively recruited for coronary CT angiography (CCTA) and fundoscopy. This study first examined the association between retinal vascular changes and the Coronary Artery Disease Reporting and Data System (CAD-RADS) as assessed on CCTA. Then, we developed a graph neural network (GNN) model for predicting the CAD-RADS as a proxy for coronary artery disease. The CCTA scans were stratified by CAD-RADS scores by expert readers, and the vascular biomarkers were extracted from their fundus images. Association analyses of CAD-RADS scores were performed with patient characteristics, retinal diseases, and quantitative vascular biomarkers. Finally, a GNN model was constructed for the task of predicting the CAD-RADS score compared to traditional machine learning (ML) models. The experimental results showed that a few retinal vascular biomarkers were significantly associated with adverse CAD-RADS scores, which were mainly pertaining to arterial width, arterial angle, venous angle, and fractal dimensions. Additionally, the GNN model achieved a sensitivity, specificity, accuracy and area under the curve of 0.711, 0.697, 0.704 and 0.739, respectively. This performance outperformed the same evaluation metrics obtained from the traditional ML models (p < 0.05). The data suggested that retinal vasculature could be a potential biomarker for atherosclerosis in the coronary artery and that the GNN model could be utilized for accurate prediction.

A graph convolutional neural network model based on fused multi-subgraph as input and fused feature information as output

BackgroundThe proportion of Canadian youth seeking mental health support from an emergency department (ED) has risen in recent years. As EDs typically address urgent mental health crises, revisiting an ED may represent unmet mental health needs. Accurate ED revisit prediction could aid early intervention and ensure efficient healthcare resource allocation. We examine the potential increased accuracy and performance of graph neural network (GNN) machine learning models compared to recurrent neural network (RNN), and baseline conventional machine learning and regression models for predicting ED revisit in electronic health record (EHR) data.MethodsThis study used EHR data for children and youth aged 4–17 seeking services at McMaster Children’s Hospital’s Child and Youth Mental Health Program outpatient service to develop and evaluate GNN and RNN models to predict whether a child/youth with an ED visit had an ED revisit within 30 days. GNN and RNN models were developed and compared against conventional baseline models. Model performance for GNN, RNN, XGBoost, decision tree and logistic regression models was evaluated using F1 scores.ResultsThe GNN model outperformed the RNN model by an F1-score increase of 0.0511 and the best performing conventional machine learning model by an F1-score increase of 0.0470. Precision, recall, receiver operating characteristic (ROC) curves, and positive and negative predictive values showed that the GNN model performed the best, and the RNN model performed similarly to the XGBoost model. Performance increases were most noticeable for recall and negative predictive value than for precision and positive predictive value.ConclusionsThis study demonstrates the improved accuracy and potential utility of GNN models in predicting ED revisits among children and youth, although model performance may not be sufficient for clinical implementation. Given the improvements in recall and negative predictive value, GNN models should be further explored to develop algorithms that can inform clinical decision-making in ways that facilitate targeted interventions, optimize resource allocation, and improve outcomes for children and youth.

The prevalent heterogeneous Graph Neural Network (GNN) models learn node and graph representations using pre-defined meta-paths or only automatically discovering meta-paths. However, the existing methods suffer from information loss due to neglecting undiscovered meta-structures with richer semantics than meta-paths in heterogeneous graphs. To take advantage of the current rich meta-structures in heterogeneous graphs, we propose a novel approach called HeGTM to automatically extract essential meta-structures (i.e., meta-paths and meta-graphs) from heterogeneous graphs. The discovered meta-structures can capture more prosperous relations between different types of nodes that can help the model to learn representations. Furthermore, we apply the proposed approach for text classification. Specifically, we first design a heterogeneous graph for the text corpus, and then apply HeGTM on the constructed text graph to learn better text representations that contain various semantic relations. In addition, our approach can also be used as a strong meta-structure extractor for other GNN models. In other words, the auto-discovered meta-structures can replace the pre-defined meta-paths. The experimental results on text classification demonstrate the effectiveness of our approach to automatically extracting informative meta-structures from heterogeneous graphs and its usefulness in acting as a meta-structure extractor for boosting other GNN models.

In vehicular edge computing (VEC), tasks and data collected by sensors on the vehicles can be offloaded to roadside units (RSUs) equipped with a set of servers through the wireless transmission. These tasks may be dependent of each other and can be modeled as a directed acyclic graph (DAG). The DAG scheduling problem is aimed at scheduling the tasks to the servers to minimize the scheduling length (makespan), i.e., the maximum finish time of all tasks. The conventional heuristic algorithms only utilize partial information of the DAG, so the performance of these algorithms is not stable. The state-of-the-art scheduling method employs the graph neural network to further reduce the makespan. However, this method ignores the fact that there are communication delays between tasks scheduled on different servers. In this paper, we tackle the DAG scheduling problem considering communication delays which makes the problem much more challenging. Our method is based on graph convolutional neural network and reinforcement learning. Experimental results show that our scheduling method reduces the DAG scheduling length by 8% to 15% compared with the representative scheduling strategies based on graph neural network models (GAT, GraphSAGE) and 15% to 25% compared with the conventional algorithms (HEFT, LC, and CPOP) and the sequence-to-sequence model.

Deep learning has seen significant growth recently and is now applied to a wide range of conventional use cases, including graphs. Graph data provides relational information between elements and is a standard data format for various machine learning and deep learning tasks. Models that can learn from such inputs are essential for working with graph data effectively. This paper identifies nodes and edges within specific applications, such as text, entities, and relations, to create graph structures. Different applications may require various graph neural network (GNN) models. GNNs facilitate the exchange of information between nodes in a graph, enabling them to understand dependencies within the nodes and edges. The paper delves into specific GNN models like graph convolution networks (GCNs), GraphSAGE, and graph attention networks (GATs), which are widely used in various applications today. It also discusses the message-passing mechanism employed by GNN models and examines the strengths and limitations of these models in different domains. Furthermore, the paper explores the diverse applications of GNNs, the datasets commonly used with them, and the Python libraries that support GNN models. It offers an extensive overview of the landscape of GNN research and its practical implementations.

With the prosperity of the information era and the maturity of computer technology, artificial intelligence has attracted much more attention. The emergence of Graph Neural Networks (GNNs) as a theory that can process non-Euclidean structure data such as graph data makes more applications possible. Graph Convolutional Neural Networks (GCNs), as a theoretical branch of GNNs, uses new theories to innovate and optimize on the basis of inheriting the ideas of predecessors, allowing the rapid development of this field. In this article, the author mainly introduces the basic theory of converting graph data into Euclidean structure data, which is the most important part of GCNs, distinguishing from Convolutional Neural Networks (CNNs). The successful applications of GCNs in the fields of recommendation systems and traffic prediction are also listed. Through the analysis of theory and applications, the shortcomings and development prospects of GNNs are discussed. Finally, the author points out that GCNs still have room for improvement in terms of data scale, network layers, and dynamics and complex nature of graph data.

Aspect-based sentiment analysis (ABSA) is a task in natural language processing (NLP) that involves predicting the sentiment polarity towards a specific aspect in text. Graph neural networks (GNNs) have been shown to be effective tools for sentiment analysis tasks, but current research often overlooks affective information in the text, leading to irrelevant information being learned for specific aspects. To address this issue, we propose a novel GNN model, MHAKE-GCN, which is based on the graph convolutional neural network (GCN) and multi-head attention (MHA). Our model incorporates external sentiment knowledge into the GCN and fully extracts semantic and syntactic information from a sentence using MHA. By adding weights to sentiment words associated with aspect words, our model can better learn sentiment expressions related to specific aspects. Our model was evaluated on four publicly benchmark datasets and compared against twelve other methods. The results of the experiments demonstrate the effectiveness of the proposed model for the task of aspect-based sentiment analysis.

Drug–target interaction (DTI) is a widely explored topic in the field of bioinformatics and plays a pivotal role in drug discovery. However, the traditional bio-experimental process of drug–target interaction identification requires a large investment of time and labor. To address this challenge, graph neural network (GNN) approaches in deep learning are becoming a prominent trend in the field of DTI research, which is characterized by multimodal processing of data, feature learning and interpretability in DTI. Nevertheless, some methods are still limited by homogeneous graphs and single features. To address the problems, we mechanistically analyze graph convolutional neural networks (GCNs) and graph attentional neural networks (GATs) to propose a new model for the prediction of drug–target interactions using graph neural networks named BiTGNN [Bidirectional Transformer (Bi-Transformer)–graph neural network]. The method first establishes drug–target pairs through the pseudo-position specificity scoring matrix (PsePSSM) and drug fingerprint data, and constructs a heterogeneous network by utilizing the relationship between the drug and the target. Then, the computational extraction of drug and target attributes is performed using GCNs and GATs for the purpose of model information flow extension and graph information enhancement. We collect interaction data using the proposed Bi-Transformer architecture, in which we design a bidirectional cross-attention mechanism for calculating the effects of drug–target interactions for realistic biological interaction simulations. Finally, a feed-forward neural network is used to obtain the feature matrices of the drug and the target, and DTI prediction is performed by fusing the two feature matrices. The Enzyme, Ion Channel (IC), G Protein-coupled Receptor (GPCR) and Nuclear Receptor (NR) datasets are used in the experiments, and compared with several existing mainstream models, our model outperforms in Area Under the ROC Curve (AUC), Specificity, Accuracy and the metric Area Under the Precision–Recall Curve (AUPR).

In recent years, graph neural network has been extensively applied to drug discovery research. Although researchers have made significant progress in this field, there is less research on bibliometrics. The purpose of this study is to conduct a comprehensive bibliometric analysis of graph neural network applications in drug discovery in order to identify current research hotspots and trends, as well as serve as a reference for future research. Publications from 2017 to 2023 about the application of graph neural network in drug discovery were collected from the Web of Science Core Collection. Bibliometrix, VOSviewer, and Citespace were mainly used for bibliometric studies. In this paper, a total of 652 papers from 48 countries/regions were included. Research interest in this field is continuously increasing. China and the United States have a significant advantage in terms of funding, the number of publications, and collaborations with other institutions and countries. Although some cooperation networks have been formed in this field, extensive worldwide cooperation still needs to be strengthened. The results of the keyword analysis clarified that graph neural network has primarily been applied to drug-target interaction, drug repurposing, and drug-drug interaction, while graph convolutional neural network and its related optimization methods are currently the core algorithms in this field. Data availability and ethical supervision, balancing computing resources, and developing novel graph neural network models with better interpretability are the key technical issues currently faced. This paper analyzes the current state, hot spots, and trends of graph neural network applications in drug discovery through bibliometric approaches, as well as the current issues and challenges in this field. These findings provide researchers with valuable insights on the current status and future directions of this field.

BackgroundAutism spectrum disorder (ASD) is a serious developmental disorder of the brain. Recently, various deep learning methods based on functional magnetic resonance imaging (fMRI) data have been developed for the classification of ASD. Among them, graph neural networks, which generalize deep neural network models to graph structured data, have shown great advantages. However, in graph neural methods, because the graphs constructed are homogeneous, the phenotype information of the subjects cannot be fully utilized. This affects the improvement of the classification performance.MethodsTo fully utilize the phenotype information, this paper proposes a heterogeneous graph convolutional attention network (HCAN) model to classify ASD. By combining an attention mechanism and a heterogeneous graph convolutional network, important aggregated features can be extracted in the HCAN. The model consists of a multilayer HCAN feature extractor and a multilayer perceptron (MLP) classifier. First, a heterogeneous population graph was constructed based on the fMRI and phenotypic data. Then, a multilayer HCAN is used to mine graph-based features from the heterogeneous graph. Finally, the extracted features are fed into an MLP for the final classification.ResultsThe proposed method is assessed on the autism brain imaging data exchange (ABIDE) repository. In total, 871 subjects in the ABIDE I dataset are used for the classification task. The best classification accuracy of 82.9% is achieved. Compared to the other methods using exactly the same subjects in the literature, the proposed method achieves superior performance to the best reported result.ConclusionsThe proposed method can effectively integrate heterogeneous graph convolutional networks with a semantic attention mechanism so that the phenotype features of the subjects can be fully utilized. Moreover, it shows great potential in the diagnosis of brain functional disorders with fMRI data.

Cardiovascular Diseases (CVDs) have become increasingly crucial in recent years and have been regarded as the leading cause of death worldwide. Although it is necessary to detect and treat CVDs in their early stages, only 67% of heart diseases could be predicted by medical professionals. Motivated by recent advances in Graph Neural Networks (GNNs) that have ramified in a variety of industries, in this paper, we utilize three novel GNN models, including Graph Convolutional Network (GCN), GraphSAGE, and Graph Attention Network (GAT), to conduct the heart disease prediction task, comprised of two stages: table-to-graph transformation and Graph Neural Networks prediction. Experimental results show significant improvements with the utilization of GNNs compared with three novel Machine Learning models: Logistic Regression (LR), Naïve Bayes (NB), and Multi-Layer Perceptron (MLP), and GAT performs optimally among the three GNN models. To the best of our knowledge, this is the first work that predicts heart disease using GNNs.

A multi-agent artificial intelligence (AI) model is developed to automate the discovery of new metallic alloys, integrating multimodal data and external knowledge, including insights from physics via atomistic simulations. The system consists of (a) large language models (LLMs) for tasks such as reasoning and planning, (b) AI agents with distinct roles collaborating dynamically, and (c) a newly developed graph neural network (GNN) model for rapid retrieval of physical properties. We chose the ternary NbMoTa body-centered-cubic alloy as our model system and developed the GNN to predict two fundamental materials properties: the Peierls barrier and the solute/screw dislocation interaction energy. Our GNN model efficiently predicts these properties, reducing reliance on costly brute-force calculations and alleviating the computational demands on the multi-agent system. By combining the predictive capabilities of GNNs with the collaborative intelligence of LLM-driven reasoning agents, the system autonomously explores vast alloy design spaces, identifies trends in atomic-scale properties, and predicts macroscale mechanical strength, as demonstrated by several computational experiments. This synergistic approach accelerates the discovery of advanced alloys and holds promise for broader applications in other complex systems, marking a step forward in automated materials discovery and design. Impact statement Traditional deep learning models, such as graph neural networks and convolutional neural networks, operate within the confines of their training data sets, making single-step inferences for regression or classification. Our work introduces a multi-agent strategy that transcends these limitations by integrating deep learning with reasoning and decision-making capabilities. This intelligent system actively interprets results, determines subsequent actions, and iteratively refines predictions, accelerating the materials design process. We demonstrate its effectiveness in exploring the vast compositional space of a ternary alloy, where the model dynamically solicits data, analyzes trends, generates visualizations, and derives insights into materials behavior. By enabling accurate predictions of key alloy characteristics, our approach advances the discovery of novel metallic systems and underscores the critical role of solid-solution alloying. More broadly, it represents a major step toward integrating artificial intelligence with scientific reasoning, moving closer to artificial general intelligence in engineering. This paradigm shift has profound implications for materials science, enabling more efficient, autonomous, and intelligent exploration of complex materials spaces. Graphical Abstract