MeSHHeading2vec: a new method for representing MeSH headings as vectors based on graph embedding algorithm.
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ABSTRACT:
SUBMITTER: Guo ZH
PROVIDER: S-EPMC7986599 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:BACKGROUND:Knowledge graph embedding is an effective semantic representation method for entities and relations in knowledge graphs. Several translation-based algorithms, including TransE, TransH, TransR, TransD, and TranSparse, have been proposed to learn effective embedding vectors from typical knowledge graphs in which the relations between head and tail entities are deterministic. However, in medical knowledge graphs, the relations between head and tail entities are inherently probabilistic. This difference introduces a challenge in embedding medical knowledge graphs. OBJECTIVE:We aimed to address the challenge of how to learn the probability values of triplets into representation vectors by making enhancements to existing TransX (where X is E, H, R, D, or Sparse) algorithms, including the following: (1) constructing a mapping function between the score value and the probability, and (2) introducing probability-based loss of triplets into the original margin-based loss function. METHODS:We performed the proposed PrTransX algorithm on a medical knowledge graph that we built from large-scale real-world electronic medical records data. We evaluated the embeddings using link prediction task. RESULTS:Compared with the corresponding TransX algorithms, the proposed PrTransX performed better than the TransX model in all evaluation indicators, achieving a higher proportion of corrected entities ranked in the top 10 and normalized discounted cumulative gain of the top 10 predicted tail entities, and lower mean rank. CONCLUSIONS:The proposed PrTransX successfully incorporated the uncertainty of the knowledge triplets into the embedding vectors.
| S-EPMC7273238 | biostudies-literature
Project description:Identifying heterogeneous cognitive impairment markers at an early stage is vital for Alzheimer's disease diagnosis. However, due to complex and uncertain brain connectivity features in the cognitive domains, it remains challenging to quantify functional brain connectomic changes during non-pharmacological interventions for amnestic mild cognitive impairment (aMCI) patients. We present a quantitative method for functional brain network analysis of fMRI data based on the multi-graph unsupervised Gaussian embedding method (MG2G). This neural network-based model can effectively learn low-dimensional Gaussian distributions from the original high-dimensional sparse functional brain networks, quantify uncertainties in link prediction, and discover the intrinsic dimensionality of brain networks. Using the Wasserstein distance to measure probabilistic changes, we discovered that brain regions in the default mode network and somatosensory/somatomotor hand, fronto-parietal task control, memory retrieval, and visual and dorsal attention systems had relatively large variations during non-pharmacological training, which might provide distinct biomarkers for fine-grained monitoring of aMCI cognitive alteration. An important finding of our study is the ability of the new method to capture subtle changes for individual patients before and after short-term intervention. More broadly, the MG2G method can be used in studying multiple brain disorders and injuries, e.g., in Parkinson's disease or traumatic brain injury (TBI), and hence it will be useful to the wider neuroscience community.
| S-EPMC7524000 | biostudies-literature
Project description:Numerous evidences indicate that Circular RNAs (circRNAs) are widely involved in the occurrence and development of diseases. Identifying the association between circRNAs and diseases plays a crucial role in exploring the pathogenesis of complex diseases and improving the diagnosis and treatment of diseases. However, due to the complex mechanisms between circRNAs and diseases, it is expensive and time-consuming to discover the new circRNA-disease associations by biological experiment. Therefore, there is increasingly urgent need for utilizing the computational methods to predict novel circRNA-disease associations. In this study, we propose a computational method called GCNCDA based on the deep learning Fast learning with Graph Convolutional Networks (FastGCN) algorithm to predict the potential disease-associated circRNAs. Specifically, the method first forms the unified descriptor by fusing disease semantic similarity information, disease and circRNA Gaussian Interaction Profile (GIP) kernel similarity information based on known circRNA-disease associations. The FastGCN algorithm is then used to objectively extract the high-level features contained in the fusion descriptor. Finally, the new circRNA-disease associations are accurately predicted by the Forest by Penalizing Attributes (Forest PA) classifier. The 5-fold cross-validation experiment of GCNCDA achieved 91.2% accuracy with 92.78% sensitivity at the AUC of 90.90% on circR2Disease benchmark dataset. In comparison with different classifier models, feature extraction models and other state-of-the-art methods, GCNCDA shows strong competitiveness. Furthermore, we conducted case study experiments on diseases including breast cancer, glioma and colorectal cancer. The results showed that 16, 15 and 17 of the top 20 candidate circRNAs with the highest prediction scores were respectively confirmed by relevant literature and databases. These results suggest that GCNCDA can effectively predict potential circRNA-disease associations and provide highly credible candidates for biological experiments.
| S-EPMC7266350 | biostudies-literature
Project description:Functional microcircuits are useful for studying interactions among neural dynamics of neighboring neurons during cognition and emotion. A functional microcircuit is a group of neurons that are spatially close, and that exhibit synchronized neural activities. For computational analysis, functional microcircuits are represented by graphs, which pose special challenges when applied as input to machine learning algorithms. Graph embedding, which involves the conversion of graph data into low dimensional vector spaces, is a general method for addressing these challenges. In this paper, we discuss limitations of conventional graph embedding methods that make them ill-suited to the study of functional microcircuits. We then develop a novel graph embedding framework, called Weighted Graph Embedding with Vertex Identity Awareness (WGEVIA), that overcomes these limitations. Additionally, we introduce a dataset, called the five vertices dataset, that helps in assessing how well graph embedding methods are suited to functional microcircuit analysis. We demonstrate the utility of WGEVIA through extensive experiments involving real and simulated microcircuit data.
| S-EPMC7815934 | biostudies-literature
Project description:Many scientific datasets are of high dimension, and the analysis usually requires retaining the most important structures of data. Principal curve is a widely used approach for this purpose. However, many existing methods work only for data with structures that are mathematically formulated by curves, which is quite restrictive for real applications. A few methods can overcome the above problem, but they either require complicated human-made rules for a specific task with lack of adaption flexibility to different tasks, or cannot obtain explicit structures of data. To address these issues, we develop a novel principal graph and structure learning framework that captures the local information of the underlying graph structure based on reversed graph embedding. As showcases, models that can learn a spanning tree or a weighted undirected `1 graph are proposed, and a new learning algorithm is developed that learns a set of principal points and a graph structure from data, simultaneously. The new algorithm is simple with guaranteed convergence. We then extend the proposed framework to deal with large-scale data. Experimental results on various synthetic and six real world datasets show that the proposed method compares favorably with baselines and can uncover the underlying structure correctly.
| S-EPMC5899072 | biostudies-literature
Project description:MotivationDrug-food interactions (DFIs) occur when some constituents of food affect the bioaccessibility or efficacy of the drug by involving in drug pharmacodynamic and/or pharmacokinetic processes. Many computational methods have achieved remarkable results in link prediction tasks between biological entities, which show the potential of computational methods in discovering novel DFIs. However, there are few computational approaches that pay attention to DFI identification. This is mainly due to the lack of DFI data. In addition, food is generally made up of a variety of chemical substances. The complexity of food makes it difficult to generate accurate feature representations for food. Therefore, it is urgent to develop effective computational approaches for learning the food feature representation and predicting DFIs.ResultsIn this article, we first collect DFI data from DrugBank and PubMed, respectively, to construct two datasets, named DrugBank-DFI and PubMed-DFI. Based on these two datasets, two DFI networks are constructed. Then, we propose a novel end-to-end graph embedding-based method named DFinder to identify DFIs. DFinder combines node attribute features and topological structure features to learn the representations of drugs and food constituents. In topology space, we adopt a simplified graph convolution network-based method to learn the topological structure features. In feature space, we use a deep neural network to extract attribute features from the original node attributes. The evaluation results indicate that DFinder performs better than other baseline methods.Availability and implementationThe source code is available at https://github.com/23AIBox/23AIBox-DFinder.Supplementary informationSupplementary data are available at Bioinformatics online.
| S-EPMC9828147 | biostudies-literature
Project description:BackgroundProtein-protein interactions (PPIs) are central to many biological processes. Considering that the experimental methods for identifying PPIs are time-consuming and expensive, it is important to develop automated computational methods to better predict PPIs. Various machine learning methods have been proposed, including a deep learning technique which is sequence-based that has achieved promising results. However, it only focuses on sequence information while ignoring the structural information of PPI networks. Structural information of PPI networks such as their degree, position, and neighboring nodes in a graph has been proved to be informative in PPI prediction.ResultsFacing the challenge of representing graph information, we introduce an improved graph representation learning method. Our model can study PPI prediction based on both sequence information and graph structure. Moreover, our study takes advantage of a representation learning model and employs a graph-based deep learning method for PPI prediction, which shows superiority over existing sequence-based methods. Statistically, Our method achieves state-of-the-art accuracy of 99.15% on Human protein reference database (HPRD) dataset and also obtains best results on Database of Interacting Protein (DIP) Human, Drosophila, Escherichia coli (E. coli), and Caenorhabditis elegans (C. elegan) datasets.ConclusionHere, we introduce signed variational graph auto-encoder (S-VGAE), an improved graph representation learning method, to automatically learn to encode graph structure into low-dimensional embeddings. Experimental results demonstrate that our method outperforms other existing sequence-based methods on several datasets. We also prove the robustness of our model for very sparse networks and the generalization for a new dataset that consists of four datasets: HPRD, E.coli, C.elegan, and Drosophila.
| S-EPMC7372763 | biostudies-literature
Project description:Protein-protein interactions (PPIs) are essential for most biological processes. However, current PPI networks present high levels of noise, sparseness and incompleteness, which limits our ability to understand the cell at the system level from the PPI network. Predicting novel (missing) links in noisy PPI networks is an essential computational method for automatically expanding the human interactome and for identifying biologically legitimate but undetected interactions for experimental determination of PPIs, which is both expensive and time-consuming. Recently, graph convolutional networks (GCN) have shown their effectiveness in modeling graph-structured data, which employ a 1-hop neighborhood aggregation procedure and have emerged as a powerful architecture for node or graph representations. In this paper, we propose a novel node (protein) embedding method by combining GCN and PageRank as the latter can significantly improve the GCN's aggregation scheme, which has difficulty in extending and exploring topological information of networks across higher-order neighborhoods of each node. Building on this novel node embedding model, we develop a higher-order GCN variational auto-encoder (HO-VGAE) architecture, which can learn a joint node representation of higher-order local and global PPI network topology for novel protein interaction prediction. It is worth noting that our method is based exclusively on network topology, with no protein attributes or extra biological features used. Extensive computational validations on PPI prediction task demonstrate our method without leveraging any additional biological information shows competitive performance-outperforms all existing graph embedding-based link prediction methods in both accuracy and robustness.
| S-EPMC7514053 | biostudies-literature
Project description:In silico prediction of drug-target interactions is a critical phase in the sustainable drug development process, especially when the research focus is to capitalize on the repositioning of existing drugs. However, developing such computational methods is not an easy task, but is much needed, as current methods that predict potential drug-target interactions suffer from high false-positive rates. Here we introduce DTiGEMS+, a computational method that predicts Drug-Target interactions using Graph Embedding, graph Mining, and Similarity-based techniques. DTiGEMS+?combines similarity-based as well as feature-based approaches, and models the identification of novel drug-target interactions as a link prediction problem in a heterogeneous network. DTiGEMS+?constructs the heterogeneous network by augmenting the known drug-target interactions graph with two other complementary graphs namely: drug-drug similarity, target-target similarity. DTiGEMS+?combines different computational techniques to provide the final drug target prediction, these techniques include graph embeddings, graph mining, and machine learning. DTiGEMS+?integrates multiple drug-drug similarities and target-target similarities into the final heterogeneous graph construction after applying a similarity selection procedure as well as a similarity fusion algorithm. Using four benchmark datasets, we show DTiGEMS+?substantially improves prediction performance compared to other state-of-the-art in silico methods developed to predict of drug-target interactions by achieving the highest average AUPR across all datasets (0.92), which reduces the error rate by 33.3% relative to the second-best performing model in the state-of-the-art methods comparison.
| S-EPMC7325230 | biostudies-literature
Project description:The use of high-throughput array and sequencing technologies has produced unprecedented amounts of gene expression data in central public depositories, including the Gene Expression Omnibus (GEO). The immense amount of expression data in GEO provides both vast research opportunities and data analysis challenges. Co-expression analysis of high-dimensional expression data has proven effective for the study of gene functions, and several co-expression databases have been developed. Here, we present a new co-expression database, COEXPEDIA (www.coexpedia.org), which is distinctive from other co-expression databases in three aspects: (i) it contains only co-functional co-expressions that passed a rigorous statistical assessment for functional association, (ii) the co-expressions were inferred from individual studies, each of which was designed to investigate gene functions with respect to a particular biomedical context such as a disease and (iii) the co-expressions are associated with medical subject headings (MeSH) that provide biomedical information for anatomical, disease, and chemical relevance. COEXPEDIA currently contains approximately eight million co-expressions inferred from 384 and 248 GEO series for humans and mice, respectively. We describe how these MeSH-associated co-expressions enable the identification of diseases and drugs previously unknown to be related to a gene or a gene group of interest.
| S-EPMC5210615 | biostudies-literature