Graph Convolutional Neural Networks Research Articles

Robust-DefReg: A Robust Coarse to Fine Non-rigid Point Cloud Registration Method based on Graph Convolutional Neural Networks

Abstract Point cloud registration is a critical process in computer vision and measurement science, aimed at determining transformations between corresponding sets of points for accurate spatial alignment. In particular, non-rigid registration involves estimating flexible transformations that map a source point cloud to a target point cloud, even under conditions of stretching, compression, or other complex deformations. This task becomes especially challenging when addressing measurement-specific issues like varying degrees of deformation, noise, and outliers, all of which can impact measurement accuracy and reliability.
This paper introduces Robust-DefReg, a novel method for non-rigid point cloud registration that applies graph convolutional networks (GCNNs) within a coarse-to-fine registration framework. This end-to-end pipeline harnesses global feature learning to establish robust correspondences and precise transformations, enabling high accuracy across different deformation scales and noise levels. A key contribution of Robust-DefReg is its demonstrated resilience to various challenges, such as substantial deformations, noise, and outliers, factors often underreported in existing registration literature.
In addition, we present SynBench, a comprehensive benchmark dataset specifically designed for evaluating non-rigid point cloud registration in realistic measurement scenarios. Unlike previous datasets, SynBench incorporates a range of challenges, making it a valuable tool for the fair assessment of registration methods in measurement applications. Experimental results on SynBench and additional datasets show that Robust-DefReg consistently outperforms state-of-the-art methods, offering higher registration accuracy and robustness, even with up to 45% outliers.
SynBench and the Robust-DefReg source code are publicly accessible for further research and development at https://doi.org/10.11588/data/R9IKCF and https://github.com/m-kinz/Robust-DefReg, respectively.

Predicting travel demand of a bike sharing system using graph convolutional neural networks

Predicting travel demand of a bike sharing system using graph convolutional neural networks

Trading Community Analysis of Countries’ Roll-On/Roll-Off Shipping Networks Using Fine-Grained Vessel Trajectory Data

Roll-on/roll-off vessels (RO/RO vessels) are playing an increasingly critical role in international automobile transport, facilitating the efficient movement of vehicles and heavy machinery across continents. Despite this growing significance, there is still limited research specifically focused on the RO/RO shipping network and its impact on global trade. This paper studies the global RO/RO shipping network using AIS data on RO/RO vessels collected from 2020 to 2023. We construct a method based on the complex network theory and the graph feature extraction method to quantitatively assess the features of the RO/RO shipping network. This method assesses the complexity, sparsity, homogeneity, modularity, and hierarchy of the RO/RO shipping network across various ports and countries and employs the graph convolutional neural network (GCN) model to extract network features for community detection. This process enables the identification of port clusters that are frequently linked to RO/RO vessels, as well as regional transport modes. The paper’s findings support these conclusions: (1) From 2020 to 2023, the number of nodes in the RO/RO shipping network increased by 22%, primarily concentrated in African countries. The RO/RO shipping network underwent restructuring after the pandemic, with major complex network parameters showing an upward trend. (2) The RO/RO shipping network is complex, with a stable graph density of 0.106 from 2020 to 2023. The average degree increased by 7% to 4.224. Modularity decreased by 6.5% from 0.431 in 2022 to 0.403, while the hierarchy coefficient rose to 0.575, suggesting that post-pandemic, community routes have become more diverse, reflecting the reconstruction and maturation of the overall network. (3) The model yielded a silhouette coefficient of 0.548 and a Davies–Bouldin index of 0.559 using an improved automatic feature extraction method. In comparison between 2020 and 2023, the changes in the two indicators are small. This shows that GINs can effectively extract network features and give us results that we can understand for community detection. (4) In 2023, key communities divide the RO/RO shipping network, with one community handling 39% of global routes (primarily Europe–Asia), another community handling 23% (serving Asia–Pacific, Africa, and the Middle East), and a third community managing 38% (linking Asia, Europe, and South America).

Baseline-free assisted lamb wave-based damage detection in CFRP composites using graph convolutional networks and Transformer models

Carbon fiber-reinforced polymer (CFRP) composites are widely used in aerospace but are susceptible to damage, threatening structural safety. Thus, developing an effective structural health monitoring system is essential. This study presents CFRP-former, a novel deep learning framework that detects damage in CFRP composites by constructing spatio-temporal representation graphs of Lamb waves (LWs). The CFRP-former comprises three key modules: graph convolutional neural network (GCNN), a multi-layer perceptron (MLP), and a Transformer Encoder. The GCNN models the topological relationships between LW nodes and sensors. The MLP reduces data dimensionality while preserving key information for subsequent analysis. Meanwhile, the Transformer Encoder, employing multi-head attention mechanisms, captures global time-series patterns in the LW signals. Additionally, the CFRP-former framework includes a parallel module that separately predicts both the size and location of damage. Experiments using only four sensors show that CFRP-former achieves high accuracy in detecting and quantifying damage, with robustness confirmed through ablation tests.

DeepJEB: 3D Deep Learning-based Synthetic Jet Engine Bracket Dataset

Abstract Recent advances in artificial intelligence (AI) have impacted various fields, including mechanical engineering. However, the development of diverse, high-quality datasets for structural analysis remains a challenge. Traditional datasets, like the jet engine bracket dataset, are limited by small sample sizes, hindering the creation of robust surrogate models. This study introduces the Deep- JEB dataset, generated through deep generative models and automated simulation pipelines, to address these limitations. DeepJEB offers comprehensive 3D geometries and corresponding structural analysis data. Key experiments validated its effectiveness, showing significant improvements in surrogate model performance. Models trained on DeepJEB achieved up to a 23% increase in the coefficient of determination and over a 70% reduction in mean absolute percentage error (MAPE) compared to those trained on traditional datasets. These results underscore the superior generalization capabilities of DeepJEB. By supporting advanced modeling techniques, such as graph neural networks (GNNs) and convolutional neural networks (CNNs), DeepJEB enables more accurate predictions in structural performance. The DeepJEB dataset is publicly accessible at: https://www.narnia.ai/dataset.

Associative graph convolution network for point cloud analysis

Since point cloud is the raw output of most 3D sensors, its effective analysis is in huge demand in the field of autonomous driving and robotic manipulation. However, directly processing point clouds is challenging because point clouds are a kind of disordered and unstructured geometric data. Recently, numerous graph convolution neural networks are proposed for introducing graph structure to point clouds yet far from perfect. Specially, DGCNN tries to learn local geometric of points in semantic space and recomputes the graph using nearest neighbors in the feature space in each layer. However, it discards all the information of the previous graph after each graph update, which neglects the relations between each dynamic update. To this end, we propose an associative graph convolution neural network (AGCN) which mainly consists of associative graph convolution (AGConv) and two kinds of residual connections. AGConv additionally considers the information from the previous graph when computing the edge function on current local neighborhoods in each layer, and it can precisely and continuously capture the local geometric features on point clouds. Residual connections further explore the semantic relations between layers for effective learning on point clouds. Extensive experiments on several benchmark datasets show that our network achieves competitive classification and segmentation results.

SOGCN: Prediction of key properties of MR-TADF materials using graph convolutional neural networks

SOGCN: Prediction of key properties of MR-TADF materials using graph convolutional neural networks

An Adaptive Framework for Traffic Congestion Prediction using Deep Learning

Aim and background: Congestion on China's roads has worsened in recent years due to the country's rapid economic development, rising urban population, rising private car ownership, inequitable traffic flow distribution, and growing local congestion. As cities expand, traffic congestion has become an unavoidable nuisance that endangers the safety and progress of its residents. Improving the utilization rate of municipal transportation facilities and relieving traffic congestion depend on a thorough and accurate identification of the current state of road traffic and necessitate anticipating road congestion in the city. Methodology: In this research, we suggest using a deep spatial and temporal graph convolutional network (DSGCN) to forecast the current state of traffic congestion. To begin, we grid out the transportation system to create individual regions for analysis. In this work, we abstract the grid region centers as nodes, and we use an adjacency matrix to signify the dynamic correlations between the nodes. Results and Discussion: The spatial correlation between regions is then captured utilizing a Graph Convolutional-Neural-Network (GCNN), while the temporal correlation is captured using a two-layer long and short-term feature model (DSTM). Conclusion: Finally, testing on real PeMS datasets shows that the DSGCN has superior performance than other baseline models and provides more accurate traffic congestion prediction.

Deep Reinforcement Learning of Graph Convolutional Neural Network for Resilient Production Control of Mass Individualized Prototyping Toward Industry 5.0

Deep Reinforcement Learning of Graph Convolutional Neural Network for Resilient Production Control of Mass Individualized Prototyping Toward Industry 5.0

Combining multi-level feature extraction algorithm with residual graph convolutional neural network for partial discharge detection

Partial discharge (PD) identification is critical for the insulation diagnosis of cable conductors; however, there is still scope for enhancement in the existing adaptive extraction capabilities and feature utilization for PD signals. In this context, this paper introduces a method that integrates a one-dimensional convolutional neural network (1D-CNN) with a residual graph convolutional neural network (ResGCN) to recognize PD signals. Noise analysis is performed using various combinations of mother wavelets, and Bayesian optimization is employed to mitigate background noise. Key features of PD signals are progressively abstracted through a 1D-CNN-based multilevel automatic feature learning method, while signal timing attributes are maintained to minimize manual intervention. The graph data is constructed using the signal feature matrix and the signal timing feature similarity matrix. This is followed by the development of a ResGCN utilizing a graph attention mechanism to integrate node feature information and the topology of the PD graph data. This approach aims to fully exploit the correlation between local regions of the feature space and the temporal numerical properties of the signals. Additionally, it jointly optimizes feature extraction and model classification to facilitate adaptive diagnosis. The method is validated with extensive real experimental data obtained from medium voltage overhead power lines. It demonstrates exceptional performance and practicality, achieving an accuracy rate of 97.3% and a recognition rate of 96.1% for PD samples, thus offering reliable theoretical support for effective PD detection.

Automatic 3-dimensional quantification of orthodontically induced root resorption in cone-beam computed tomography images based on deep learning

Orthodontically induced root resorption (OIRR) is a common and undesirable consequence of orthodontic treatment. Traditionally, studies employ manual methods to conduct 3-dimensional quantitative analysis of OIRR via cone-beam computed tomography (CBCT), which is often subjective and time-consuming. With advancements in computer technology, deep learning-based approaches have gained traction in medical image processing. This study presents a deep learning-based model for the fully automatic extraction of root volume information and the localization of root resorption from CBCT images. In this cross-sectional, retrospective study, 4534 teeth from 105 patients were used to train and validate an automatic model for OIRR quantification. The protocol encompassed several steps: preprocessing of CBCT images involving automatic tooth segmentation and conversion into point clouds, followed by segmentation of tooth crowns and roots via the Dynamic Graph Convolutional Neural Network. The root volume was subsequently calculated, and OIRR localization was performed. The intraclass correlation coefficient was employed to validate the consistency between the automatic model and manual measurements. The proposed method strongly correlated with manual measurements in terms of root volume and OIRR severity assessment. The intraclass correlation coefficient values for average volume measurements at each tooth position exceeded 0.95 (P<0.001), with the accuracy of different OIRR severity classifications surpassing 0.8. The proposed methodology provides automatic and reliable tools for OIRR assessment, offering potential improvements in orthodontic treatment planning and monitoring.

A histogram-based approach to calculate graph similarity using graph neural networks

Deep learning has revolutionized the field of pattern recognition and machine learning by exhibiting exceptional efficiency in recognizing patterns. The success of deep learning can be seen in a wide range of applications including speech recognition, natural language processing, video processing, and image classification. Moreover, it has also been successful in recognizing structural patterns, such as graphs. Graph Neural Networks (GNNs) are models that employ message passing between nodes in a graph to capture its dependencies. These networks memorize a state that approximates graph information with greater depth compared to traditional neural networks. Although training a GNN can be challenging, recent advances in GNN variants, including Graph Convolutional Neural Networks, Gated Graph Neural Networks, and Graph Attention Networks, have shown promising results in solving various problems. In this work, we present a GNN-based approach for computing graph similarity and demonstrate its application to a classification problem. Our proposed method converts the similarity of two graphs into a score, and experiments on state-of-the-art datasets show that the proposed technique is effective and efficient. Results are summarized using a confusion matrix and mean square error metric, demonstrating the accuracy of our proposed technique.

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

The graph convolution neural network (GCN)-based node classification model tackles the challenge of classifying nodes in graph data through learned feature representations. However, most existing graph neural networks primarily focus on the same type of edges, which might not accurately reflect the intricate real-world graph structure. This paper introduces a novel graph neural network model, MF-GCN, which integrates subgraphs with various edge types as input and combines feature information from each graph convolutional neural network layer to produce the final output. This model learns node feature representations by separately feeding subgraphs with different edge types into the graph convolutional layer. It then computes the weight vectors for fusing various edge type subgraphs based on the learned node features. Additionally, to efficiently extract feature information, the outputs of each graph convolution layer, without an activation function, are weighted and summed to obtain the final node features. This approach resolves the challenges of determining fusion weights and effectively extracting feature information during subgraph fusion. Experimental results show that the proposed model significantly improves performance on all three datasets, highlighting its effectiveness in node representation learning tasks.

Spectral graph convolutional neural network for Alzheimer's disease diagnosis and multi-disease categorization from functional brain changes in magnetic resonance images.

Alzheimer's disease (AD) is a progressive neurological disorder characterized by the gradual deterioration of cognitive functions, leading to dementia and significantly impacting the quality of life for millions of people worldwide. Early and accurate diagnosis is crucial for the effective management and treatment of this debilitating condition. This study introduces a novel framework based on Spectral Graph Convolutional Neural Networks (SGCNN) for diagnosing AD and categorizing multiple diseases through the analysis of functional changes in brain structures captured via magnetic resonance imaging (MRI). To assess the effectiveness of our approach, we systematically analyze structural modifications to the SGCNN model through comprehensive ablation studies. The performance of various Convolutional Neural Networks (CNNs) is also evaluated, including SGCNN variants, Base CNN, Lean CNN, and Deep CNN. We begin with the original SGCNN model, which serves as our baseline and achieves a commendable classification accuracy of 93%. In our investigation, we perform two distinct ablation studies on the SGCNN model to examine how specific structural changes impact its performance. The results reveal that Ablation Model 1 significantly enhances accuracy, achieving an impressive 95%, while Ablation Model 2 maintains the baseline accuracy of 93%. Additionally, the Base CNN model demonstrates strong performance with a classification accuracy of 93%, whereas both the Lean CNN and Deep CNN models achieve 94% accuracy, indicating their competitive capabilities. To validate the models' effectiveness, we utilize multiple evaluation metrics, including accuracy, precision, recall, and F1-score, ensuring a thorough assessment of their performance. Our findings underscore that Ablation Model 1 (SGCNN Model 1) delivers the highest predictive accuracy among the tested models, highlighting its potential as a robust approach for Alzheimer's image classification. Ultimately, this research aims to facilitate early diagnosis and treatment of AD, contributing to improved patient outcomes and advancing the field of neurodegenerative disease diagnosis.

Graph-Root: Prediction of Root-Associated Proteins in Maize, Sorghum, And Soybean Based on Graph Convolutional Network and Network Embedding Method

Background: The root system plays an irreplaceable role in plant growth. Its improvement can increase crop productivity. However, such a system is still mysterious for us. The underlying mechanism has not been fully uncovered. The investigation on proteins related to the root system is an important means to complete this task. In the previous time, lack of root-related proteins makes it impossible to adopt machine learning methods for designing efficient models for the discovery of novel root-related proteins. Recently, a public database on root-related proteins was set up and machine learning methods can be applied in this field. Objective: The purpose of this study was to design an efficient computational method to predict root-associated proteins in three plants: maize, sorghum, and soybean. Method: In this study, we proposed a machine learning based model, named Graph-Root, for the identification of root-related proteins in maize, sorghum, and soybean. The features derived from protein sequences, functional domains, and one network were extracted, where the first type of features were processed by graph convolutional neural network and multi-head attention, the second type of features reflected the essential functions of proteins, and the third type of features abstracted the linkage between proteins. These features were fed into the fully connected layer to make predictions. Results: The 5-fold cross-validation and independent tests suggested its acceptable performance. It also outperformed the only previous model, SVM-Root. Furthermore, the importance of each feature type and component in the proposed model was investigated. Conclusion: Graph-Root had a good performance and can be a useful tool to identify novel rootrelated proteins. BLOSUM62 features were found to be important in determining root-related proteins.

Integrating (deep) machine learning and cheminformatics for predicting human intestinal absorption of small molecules

The oral route is the most preferred route for drug delivery, due to which the largest share of the pharmaceutical market is represented by oral drugs. Human intestinal absorption (HIA) is closely related to oral bioavailability making it an important factor in predicting drug absorption. In this study, we focus on predicting drug permeability at HIA as a marker for oral bioavailability. A set of 2648 compounds were collected from some early as well as recent works and curated to build a robust dataset. Five machine learning (ML) algorithms have been trained with a set of molecular descriptors of these compounds which have been selected after rigorous feature engineering. Additionally, two deep learning models - graph convolution neural network (GCNN) and graph attention network (GAT) based model were developed using the same set of compounds to exploit the predictability with automated extracted features. The numerical analyses show that out the five ML models, Random forest and LightGBM could predict with an accuracy of 87.71 % and 86.04 % on the test set and 81.43 % and 77.30 % with the external validation set respectively. Whereas with the GCNN and GAT based models, the final accuracy achieved was 77.69 % and 78.58 % on test set and 79.29 % and 79.42 % on the external validation set respectively. We believe deployment of these models for screening oral drugs can provide promising results and therefore deposited the dataset and models on the GitHub platform (https://github.com/hridoy69/HIA).

Accelerating spin Hall conductivity predictions via machine learning

AbstractAccurately predicting the spin Hall conductivity (SHC) is crucial for designing novel spintronic devices that leverage the spin Hall effect. First‐principles calculations of SHCs are computationally intensive and unsuitable for quick high‐throughput screening. Here, we have developed a residual crystal graph convolutional neural network (Res‐CGCNN) deep learning model to classify and predict SHCs solely based on the structural and compositional information. This is enabled by having access to 9249 instances of SHCs data and incorporating extra residual networks into the standard CGCNN framework. We found that Res‐CGCNN surpasses CGCNN, achieving a mean absolute error of 115.4 (ℏ/e) (S/cm) for regression and an area under the receiver operating characteristic curve of 0.86 for classification. Additionally, we utilized Res‐CGCNN to conduct high‐throughput screenings of materials in the Materials Project database that were absent in the training set. This led to the prediction of several previously unreported materials displaying large SHCs exceeding 1000 (ℏ/e) (S/cm), which were validated through first‐principles calculations. This study represents the inaugural endeavor to construct a machine learning model capable of effectively capturing the intricate nonlinear relationship between SHCs and crystal structure and composition, serving as a useful tool for the efficient screening and design of materials exhibiting high SHCs.

DGCNN approach links metagenome-derived taxon and functional information providing insight into global soil organic carbon

Metagenomics can provide insight into the microbial taxa present in a sample and, through gene identification, the functional potential of the community. However, taxonomic and functional information are typically considered separately in downstream analyses. We develop interpretable machine learning (ML) approaches for modelling metagenomic data, combining the biological representation of species with their associated genetically encoded functions within models. We apply our methods to investigate soil organic carbon (SOC) stocks. First, we combine a diverse global set of soil microbiome samples with environmental data, improving the predictive performance of classic ML and providing new insights into the role of soil microbiomes in global carbon cycling. Our network analysis of predictive taxa identified by classical ML models provides context for their ecological significance, extending the focus beyond just the most predictive taxa to ‘hidden’ features within the model that might be considered less predictive using standard methods for explainability. We next develop unique graph representations for individual microbiomes, linking microbial taxa to their associated functions directly, enabling predictions of SOC via deep graph convolutional neural networks (DGCNNs). Interpretation of the DGCNNs distinguished between the importance of functions of key individual species, providing genome sequence differences, e.g., gene loss/acquisition, that associate with SOC. These approaches identify several members of the Verrucomicrobiaceae family and a range of genetically encoded functions, e.g., related to carbohydrate metabolism, as important for SOC stocks and effective global SOC predictors. These relatively understudied but widespread organisms could play an important role in SOC dynamics globally.

SOAMC: A Semi-Supervised Open-Set Recognition Algorithm for Automatic Modulation Classification

Traditional automatic modulation classification methods operate under the closed-set assumption, which proves to be impractical in real-world scenarios due to the diverse nature of wireless technologies and the dynamic characteristics of wireless propagation environments. Open-set environments introduce substantial technical challenges, particularly in terms of detection effectiveness and computational complexity. To address the limitations of modulation classification and recognition in open-set scenarios, this paper proposes a semi-supervised open-set recognition approach, termed SOAMC (Semi-Supervised Open-Set Automatic Modulation Classification). The primary objective of SOAMC is to accurately classify unknown modulation types, even when only a limited subset of samples is manually labeled. The proposed method consists of three key stages: (1) A signal recognition pre-training model is constructed using data augmentation and adaptive techniques to enhance robustness. (2) Feature extraction and embedding are performed via a specialized extraction network. (3) Label propagation is executed using a graph convolutional neural network (GCN) to efficiently annotate the unlabeled signal samples. Experimental results demonstrate that SOAMC significantly improves classification accuracy, particularly in challenging scenarios with limited amounts of labeled data and high signal similarity. These findings are critical for the practical identification of complex and diverse modulation signals in real-world wireless communication systems.

Personalized movie recommendation in IoT-enhanced systems using graph convolutional network and multi-layer perceptron

Exploring the optimization of communication strategies for animation films in the context of cross-cultural communication, this research integrates the Internet of Things (IoT) and convolutional networks. The research constructs a collaborative filtering (CF) movie recommendation model based on a graph convolutional neural network (GCN) and investigates its application in cross-cultural communication. The fusion of IoT and convolutional networks in movie communication is also analyzed, and the effectiveness of the proposed GCN-CF model is validated through comparative experiments. The results indicate that, compared to other models, the GCN-CF model achieves the lowest Root Mean Square Error (RMSE) on the MovieLens 100 K and MovieLens 1 M datasets, with values of 0.8762 and 0.8275, respectively. Compared to traditional models, the GCN-CF model exhibits significantly superior performance in terms of RMSE, with reductions ranging from 0.6 to 5.2%, highlighting its heightened detection accuracy and overall performance. Moreover, the performance of the GCN-CF model is enhanced after introducing attention mechanisms and auxiliary information on both datasets, showing an improvement of 0.4% compared to the scenario without these additions. This data demonstrates the effectiveness of attention mechanisms and auxiliary information. Finally, the research presents an animation film communication strategy based on IoT and convolutional networks, offering novel insights for film production and communication, along with positive implications for cultural exchange and the advancement of the global media industry.