EliasHossain/CancerAbstracts huggingface dataset:
Category: Generic
Text classification is a fundamental research direction, aims to assign tags to text units. Recently, graph neural networks (GNN) have exhibited some excellent properties in textual information processing. Furthermore, the pre-trained language model also realized promising effects in many tasks. However, many text processing methods cannot model a single text unit's structure or ignore the semantic features. To solve these problems and comprehensively utilize the text's structure information and semantic information, we propose a Bert-Enhanced text Graph Neural Network model (BEGNN). For each text, we construct a text graph separately according to the co-occurrence relationship of words and use GNN to extract text features. Moreover, we employ Bert to extract semantic features. The former part can take into account the structural information, and the latter can focus on modeling the semantic information. Finally, we interact and aggregate these two features of different granularity to get a more effective representation. Experiments on standard datasets demonstrate the effectiveness of BEGNN.
Category: Generic
Transportation networks play a crucial role in society by enabling the smooth movement of people and goods during regular times and acting as arteries for evacuations during catastrophes and natural disasters. Identifying the critical road segments in a large and complex network is essential for planners and emergency managers to enhance the network's efficiency, robustness, and resilience to such stressors. We propose a novel approach to rapidly identify critical and vital network components (road segments in a transportation network) for resilience improvement or post-disaster recovery. We pose the transportation network as a graph with roads as edges and intersections as nodes and deploy a Graph Neural Network (GNN) trained on a broad range of network parameter changes and disruption events to rank the importance of road segments. The trained GNN model can rapidly estimate the criticality rank of individual road segments in the modified network resulting from an interruption. We address two main limitations in the existing literature that can arise in capital planning or during emergencies: ranking a complete network after changes to components and addressing situations in post-disaster recovery sequencing where some critical segments cannot be recovered. Importantly, our approach overcomes the computational overhead associated with the repeated calculation of network performance metrics, which can limit its use in large networks. To highlight scenarios where our method can prove beneficial, we present examples of synthetic graphs and two real-world transportation networks. Through these examples, we show how our method can support planners and emergency managers in undertaking rapid decisions for planning infrastructure hardening measures in large networks or during emergencies, which otherwise would require repeated ranking calculations for the entire network.
Category: Generic
DNA double-strand breaks (DSBs) are among the most deleterious DNA lesions, and they can cause cancer if improperly repaired. Recent chromosome conformation capture techniques, such as Hi-C, have enabled the identification of relationships between the 3D chromatin structure and DSBs, but little is known about how to explain these relationships, especially from global contact maps, or their contributions to DSB formation.
Category: Generic
Inspired by classical graph neural networks, we discuss a novel quantum graph neural network (QGNN) model to predict the chemical and physical properties of molecules and materials. QGNNs were investigated to predict the energy gap between the highest occupied and lowest unoccupied molecular orbitals of small organic molecules. The models utilize the equivariantly diagonalizable unitary quantum graph circuit (EDU-QGC) framework to allow discrete link features and minimize quantum circuit embedding. The results show QGNNs can achieve lower test loss compared to classical models if a similar number of trainable variables are used, and converge faster in training. This paper also provides a review of classical graph neural network models for materials research and various QGNNs.
Category: Generic
The stability of the gut microenvironment is inextricably linked to human health, with the onset of many diseases accompanied by dysbiosis of the gut microbiota. It has been reported that there are differences in the microbial community composition between patients and healthy individuals, and many microbes are considered potential biomarkers. Accurately identifying these biomarkers can lead to more precise and reliable clinical decision-making. To improve the accuracy of microbial biomarker identification, this study introduces WSGMB, a computational framework that uses the relative abundance of microbial taxa and health status as inputs. This method has two main contributions: (1) viewing the microbial co-occurrence network as a weighted signed graph and applying graph convolutional neural network techniques for graph classification; (2) designing a new architecture to compute the role transitions of each microbial taxon between health and disease networks, thereby identifying disease-related microbial biomarkers. The weighted signed graph neural network enhances the quality of graph embeddings; quantifying the importance of microbes in different co-occurrence networks better identifies those microbes critical to health. Microbes are ranked according to their importance change scores, and when this score exceeds a set threshold, the microbe is considered a biomarker. This framework's identification performance is validated by comparing the biomarkers identified by WSGMB with actual microbial biomarkers associated with specific diseases from public literature databases. The study tests the proposed computational framework using actual microbial community data from colorectal cancer and Crohn's disease samples. It compares it with the most advanced microbial biomarker identification methods. The results show that the WSGMB method outperforms similar approaches in the accuracy of microbial biomarker identification.
Category: Generic
In this article, we first propose a graph neural network encoding method for the multiobjective evolutionary algorithm (MOEA) to handle the community detection problem in complex attribute networks. In the graph neural network encoding method, each edge in an attribute network is associated with a continuous variable. Through nonlinear transformation, a continuous valued vector (i.e., a concatenation of the continuous variables associated with the edges) is transferred to a discrete valued community grouping solution. Further, two objective functions for the single-attribute and multiattribute network are proposed to evaluate the attribute homogeneity of the nodes in communities, respectively. Based on the new encoding method and the two objectives, a MOEA based upon NSGA-II, called continuous encoding MOEA, is developed for the transformed community detection problem with continuous decision variables. Experimental results on single-attribute and multiattribute networks with different types show that the developed algorithm performs significantly better than some well-known evolutionary- and nonevolutionary-based algorithms. The fitness landscape analysis verifies that the transformed community detection problems have smoother landscapes than those of the original problems, which justifies the effectiveness of the proposed graph neural network encoding method.
Category: Generic
Human action recognition has been applied in many fields, such as video surveillance and human computer interaction, where it helps to improve performance. Numerous reviews of the literature have been done, but rarely have these reviews concentrated on skeleton-graph-based approaches. Connecting the skeleton joints as in the physical appearance can naturally generate a graph. This paper provides an up-to-date review for readers on skeleton graph-neural-network-based human action recognition. After analyzing previous related studies, a new taxonomy for skeleton-GNN-based methods is proposed according to their designs, and their merits and demerits are analyzed. In addition, the datasets and codes are discussed. Finally, future research directions are suggested.
Category: Generic
Transforming user check-in data into graph structure data is a popular and powerful way to analyze users' behaviors in the field of recommendation. Graph-based deep learning methods such as graph embeddings and graph neural networks have shown promising performance on the task of point-of-interest recommendation in recent years. Despite effectiveness, existing methods fail to capture deep graph structural information, leading the suboptimal representations. In addition, they lack the ability of learning the influences of both global preference and user preference on the check-in behavior. To address the aforementioned issues, we propose a general framework based on preference-aware graph diffusion, named PGD. We first construct two types of graphs to represent the global preference and user preference. Then, we apply a graph diffusion process to capture the structural information of the generated graphs, resulting in weighted adjacency matrices. Finally, graph neural network-based backbones are introduced to learn the representations of users and POIs on weighted adjacency matrices. A learnable aggregation module is developed to learn the final representations from global preference and user preference adaptively. Extensive experiments on four real-world datasets demonstrate the superiority of PGD on POI recommendation, compared with the mainstream graph-based deep learning methods.
Category: Generic
MicroRNAs (miRNAs) silence genes by binding to messenger RNAs, whereas long non-coding RNAs (lncRNAs) act as competitive endogenous RNAs (ceRNAs) that can relieve miRNA silencing effects and upregulate target gene expression. The ceRNA association between lncRNAs and miRNAs has been a research hotspot due to its medical importance, but it is challenging to verify experimentally. In this paper, we propose a novel deep learning scheme, i.e. sequence pre-training-based graph neural network (SPGNN), that combines pre-training and fine-tuning stages to predict lncRNA-miRNA associations from RNA sequences and the existing interactions represented as a graph. First, we utilize a sequence-to-vector technique to generate pre-trained embeddings based on the sequences of all RNAs during the pre-training stage. In the fine-tuning stage, we use Graph Neural Network to learn node representations from the heterogeneous graph constructed using lncRNA-miRNA association information. We evaluate our proposed scheme SPGNN on our newly collected animal lncRNA-miRNA association dataset and demonstrate that combining the $k$-mer technique and Doc2vec model for pre-training with the Simple Graph Convolution Network for fine-tuning is effective in predicting lncRNA-miRNA associations. Our approach outperforms state-of-the-art baselines across various evaluation metrics. We also conduct an ablation study and hyperparameter analysis to verify the effectiveness of each component and parameter of our scheme. The complete code and dataset are available on GitHub: https://github.com/zixwang/SPGNN.
Category: Generic
Bearings are very important components in mechanical equipment, and detecting bearing failures helps ensure healthy operation of mechanical equipment and can prevent catastrophic accidents. Most of the well-established detection methods do not take into account the correlation between signals and are difficult to accurately identify those fault samples that have a low degree of failure. To address this problem, we propose a graph neural network-based bearing fault detection (GNNBFD) method. The method first constructs a graph using the similarity between samples; secondly the constructed graph is fed into a graph neural network (GNN) for feature mapping, and the samples outputted by the GNN network fuse the feature information of their neighbors, which is beneficial to the downstream detection task; then the samples mapped by the GNN network are fed into base detector for fault detection; finally, the results determined by the integrated base detector algorithm are determined, and the top n samples with the highest outlier scores are the faulty samples. The experimental results with five state-of-the-art algorithms on publicly available datasets show that the GNNBFD algorithm improves the AUC by 6.4% compared to the next best algorithm, proving that the GNNBFD algorithm is effective and feasible.
Category: Generic
Multispectral satellite imagery offers a new perspective for spatial modelling, change detection and land cover classification. The increased demand for accurate classification of geographically diverse regions led to advances in object-based methods. A novel spatiotemporal method is presented for object-based land cover classification of satellite imagery using a Graph Neural Network. This paper introduces innovative representation of sequential satellite images as a directed graph by connecting segmented land region through time. The method's novel modular node classification pipeline utilises the Convolutional Neural Network as a multispectral image feature extraction network, and the Graph Neural Network as a node classification model. To evaluate the performance of the proposed method, we utilised EfficientNetV2-S for feature extraction and the GraphSAGE algorithm with Long Short-Term Memory aggregation for node classification. This innovative application on Sentinel-2 L2A imagery produced complete 4-year intermonthly land cover classification maps for two regions: Graz in Austria, and the region of Portoro , Izola and Koper in Slovenia. The regions were classified with Corine Land Cover classes. In the level 2 classification of the Graz region, the method outperformed the state-of-the-art UNet model, achieving an average F1-score of 0.841 and an accuracy of 0.831, as opposed to UNet's 0.824 and 0.818, respectively. Similarly, the method demonstrated superior performance over UNet in both regions under the level 1 classification, which contains fewer classes. Individual classes have been classified with accuracies up to 99.17%.
Category: Generic
Graph networks can model data observed across different levels of biological systems that span from population graphs (with patients as network nodes) to molecular graphs that involve omics data. Graph-based approaches have shed light on decoding biological processes modulated by complex interactions. This paper systematically reviews graph-based analysis methods of Graph Signal Processing (GSP), Graph Neural Networks (GNNs) and graph topology inference, and their applications to biological data. This work focuses on the algorithms of graph-based approaches and the constructions of graph-based frameworks that are adapted to a broad range of biological data. We cover the Graph Fourier Transform and the graph filter developed in GSP, which provides tools to investigate biological signals in the graph domain that can potentially benefit from the underlying graph structures. We also review the node, graph, and interaction oriented applications of GNNs with inductive and transductive learning manners for various biological targets. As a key component of graph analysis, we provide a review of graph topology inference methods that incorporate assumptions for specific biological objectives. Finally, we discuss the biological application of graph analysis methods within this exhaustive literature collection, potentially providing insights for future research in biological sciences.
Category: Generic
Identifying lncRNA-disease associations is conducive to the diagnosis, treatment and prevention of diseases. Due to the expensive and time-consuming methods verified by biological experiments, prediction methods based on computational models have gradually become an important means of lncRNA-disease associations discovery. However, existing methods still have challenges to make full use of network topology information to identify potential associations between lncRNA and disease in multi-source data. In this study, we propose a novel method called HGNNLDA for lncRNA-disease association prediction. First, HGNNLDA constructs a heterogeneous network composed of lncRNA similarity network, lncRNA-disease association network and lncRNA-miRNA association network; Then, on this heterogeneous network, various types of strong correlation neighbors with fixed size are sampled for each node by restart random walk; Next, the embedding information of lncRNA and disease in each lncRNA-disease association pair is obtained by the method of type-based neighbor aggregation and all types combination though heterogeneous graph neural network, in which attention mechanism is introduced considering that different types of neighbors will make different contributions to the prediction of lncRNA-disease association. As a result, the area under the receiver operating characteristic curve (AUC) and the area under the precision-recall curve (AUPR) under fivefold cross-validation (5FCV) are 0.9786 and 0.8891, respectively. Compared with five state-of-art prediction models, HGNNLDA has better prediction performance. In addition, in two types of case studies, it is further verified that our method can effectively predict the potential lncRNA-disease associations, and have ability to predict new diseases without any known lncRNAs.
Category: Generic
In this paper, we model a knowledge graph based on graph neural networks, conduct an in-depth study on building knowledge graph embeddings for policing cases, and design a graph neural network-enhanced knowledge graph framework. In detail, we use the label propagation algorithm (LPA) to assist the convolutional graph network (GCN) in training the edge weights of the knowledge graph to construct a policing case prediction method. This improves the traditional convolutional neural network from a single-channel network to a multichannel network to accommodate the multiple feature factors of policing cases. In addition, this expands the perceptual field of the convolutional neural network to improve prediction accuracy. The experimental results show that the multichannel convolutional neural network's prediction accuracy can reach 87.7%. To ensure the efficiency of the security case analysis network, an efficient pairwise feature extraction base module is added to enhance the backbone network, which reduces the number of parameters of the whole network and decreases the complexity of operations. We experimentally demonstrate that this method achieves a better balance of efficiency and performance by obtaining approximate results with 53.5% fewer floating-point operations and 70.2% fewer number parameters than its contemporary work.
Category: Generic
Drug-target interaction (DTI) prediction is an essential step in drug repositioning. A few graph neural network (GNN)-based methods have been proposed for DTI prediction using heterogeneous biological data. However, existing GNN-based methods only aggregate information from directly connected nodes restricted in a drug-related or a target-related network and are incapable of capturing high-order dependencies in the biological heterogeneous graph. In this paper, we propose a metapath-aggregated heterogeneous graph neural network (MHGNN) to capture complex structures and rich semantics in the biological heterogeneous graph for DTI prediction. Specifically, MHGNN enhances heterogeneous graph structure learning and high-order semantics learning by modeling high-order relations via metapaths. Additionally, MHGNN enriches high-order correlations between drug-target pairs (DTPs) by constructing a DTP correlation graph with DTPs as nodes. We conduct extensive experiments on three biological heterogeneous datasets. MHGNN favorably surpasses 17 state-of-the-art methods over 6 evaluation metrics, which verifies its efficacy for DTI prediction. The code is available at https://github.com/Zora-LM/MHGNN-DTI.
Category: Generic
Many biological systems are characterised by biological entities, as well as their relationships. These interaction networks can be modelled as graphs, with nodes representing bio-entities, such as molecules, and edges representing relations among them, such as interactions. Due to the current availability of a huge amount of biological data, it is very important to consider in silico analysis methods based on, for example, machine learning, that could take advantage of the inner graph structure of the data in order to improve the quality of the results. In this scenario, graph neural networks (GNNs) are recent computational approaches that directly deal with graph-structured data. In this paper, we present a GNN network for the analysis of siRNA-mRNA interaction networks. siRNAs, in fact, are small RNA molecules that are able to bind to target genes and silence them. These events make siRNAs key molecules as RNA interference agents in many biological interaction networks related to severe diseases such as cancer. In particular, our GNN approach allows for the prediction of the siRNA efficacy, which measures the siRNA's ability to bind and silence a gene target. Tested on benchmark datasets, our proposed method overcomes other machine learning algorithms, including the state-of-the-art predictor based on the convolutional neural network, reaching a Pearson correlation coefficient of approximately 73.6%. Finally, we proposed a case study where the efficacy of a set of siRNAs is predicted for a gene of interest. To the best of our knowledge, GNNs were used for the first time in this scenario.
Category: Generic
More and more studies have shown that understanding microbe-disease associations cannot only reveal the pathogenesis of diseases, but also promote the diagnosis and prognosis of diseases. Because traditional medical experiments are time-consuming and expensive, many computational methods have been proposed in recent years to identify potential microbe-disease associations. In this study, we propose a method based on heterogeneous network and metapath aggregated graph neural network (MAGNN) to predict microbe-disease associations, called MATHNMDA. First, we introduce microbe-drug interactions, drug-disease associations, and microbe-disease associations to construct a microbe-drug-disease heterogeneous network. Then we take the heterogeneous network as input to MAGNN. Second, for each layer of MAGNN, we carry out intra-metapath aggregation with a multi-head attention mechanism to learn the structural and semantic information embedded in the target node context, the metapath-based neighbor nodes, and the context between them, by encoding the metapath instances under the metapath definition mode. We then use inter-metapath aggregation with an attention mechanism to combine the semantic information of all different metapaths. Third, we can get the final embedding of microbe nodes and disease nodes based on the output of the last layer in the MAGNN. Finally, we predict potential microbe-disease associations by reconstructing the microbe-disease association matrix. In addition, we evaluated the performance of MATHNMDA by comparing it with that of its variants, some state-of-the-art methods, and different datasets. The results suggest that MATHNMDA is an effective prediction method. The case studies on asthma, inflammatory bowel disease (IBD), and coronavirus disease 2019 (COVID-19) further validate the effectiveness of MATHNMDA.