scholarly journals A Graph Feature Auto-Encoder for the prediction of unobserved node features on biological networks

2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Ramin Hasibi ◽  
Tom Michoel
Keyword(s):  
Gene Expression ◽  
Neural Networks ◽  
Gene Expression Data ◽  
Biological Networks ◽  
Molecular Interaction ◽  
Interaction Networks ◽  
Omics Data ◽  
Expression Data ◽  
Molecular Interaction Networks ◽  
Graph Neural Networks

Abstract Background Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of genes, proteins, or metabolites across individuals or experimental conditions. Integrating the complementary viewpoints of biological networks and omics data is an important task in bioinformatics, but existing methods treat networks as discrete structures, which are intrinsically difficult to integrate with continuous node features or activity measures. Graph neural networks map graph nodes into a low-dimensional vector space representation, and can be trained to preserve both the local graph structure and the similarity between node features. Results We studied the representation of transcriptional, protein–protein and genetic interaction networks in E. coli and mouse using graph neural networks. We found that such representations explain a large proportion of variation in gene expression data, and that using gene expression data as node features improves the reconstruction of the graph from the embedding. We further proposed a new end-to-end Graph Feature Auto-Encoder framework for the prediction of node features utilizing the structure of the gene networks, which is trained on the feature prediction task, and showed that it performs better at predicting unobserved node features than regular MultiLayer Perceptrons. When applied to the problem of imputing missing data in single-cell RNAseq data, the Graph Feature Auto-Encoder utilizing our new graph convolution layer called FeatGraphConv outperformed a state-of-the-art imputation method that does not use protein interaction information, showing the benefit of integrating biological networks and omics data with our proposed approach. Conclusion Our proposed Graph Feature Auto-Encoder framework is a powerful approach for integrating and exploiting the close relation between molecular interaction networks and functional genomics data.

scholarly journals Reconciling differential gene expression data with molecular interaction networks

2013 ◽  
Vol 29 (5) ◽  
pp. 622-629 ◽  
Author(s):  
Christopher L. Poirel ◽  
Ahsanur Rahman ◽  
Richard R. Rodrigues ◽  
Arjun Krishnan ◽  
Jacqueline R. Addesa ◽  
...  
Keyword(s):  
Gene Expression ◽  
Differential Gene Expression ◽  
Gene Expression Data ◽  
Molecular Interaction ◽  
Interaction Networks ◽  
Expression Data ◽  
Molecular Interaction Networks ◽  
Differential Gene

Evaluating switching neural networks through artificial and real gene expression data

2009 ◽  
Vol 45 (2-3) ◽  
pp. 163-171 ◽  
Author(s):  
Marco Muselli ◽  
Massimiliano Costacurta ◽  
Francesca Ruffino
Keyword(s):  
Gene Expression ◽  
Neural Networks ◽  
Gene Expression Data ◽  
Expression Data ◽  
Real Gene

scholarly journals Explaining decisions of Graph Convolutional Neural Networks: patient-specific molecular subnetworks responsible for metastasis prediction in breast cancer

2020 ◽  
Author(s):  
Hryhorii Chereda ◽  
Annalen Bleckmann ◽  
Kerstin Menck ◽  
Júlia Perera-Bel ◽  
Philip Stegmaier ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Gene Expression ◽  
Neural Networks ◽  
Deep Learning ◽  
Convolutional Neural Networks ◽  
Gene Expression Data ◽  
Molecular Network ◽  
Patient Specific ◽  
Expression Data ◽  
Learning Methods

AbstractMotivationContemporary deep learning approaches show cutting-edge performance in a variety of complex prediction tasks. Nonetheless, the application of deep learning in healthcare remains limited since deep learning methods are often considered as non-interpretable black-box models. Layer-wise Relevance Propagation (LRP) is a technique to explain decisions of deep learning methods. It is widely used to interpret Convolutional Neural Networks (CNNs) applied on image data. Recently, CNNs started to extend towards non-euclidean domains like graphs. Molecular networks are commonly represented as graphs detailing interactions between molecules. Gene expression data can be assigned to the vertices of these graphs. In other words, gene expression data can be structured by utilizing molecular network information as prior knowledge. Graph-CNNs can be applied to structured gene expression data, for example, to predict metastatic events in breast cancer. Therefore, there is a need for explanations showing which part of a molecular network is relevant for predicting an event, e.g. distant metastasis in cancer, for each individual patient.ResultsWe extended the procedure of LRP to make it available for Graph-CNN and tested its applicability on a large breast cancer dataset. We present Graph Layer-wise Relevance Propagation (GLRP) as a new method to explain the decisions made by Graph-CNNs. We demonstrate a sanity check of the developed GLRP on a hand-written digits dataset, and then applied the method on gene expression data. We show that GLRP provides patient-specific molecular subnetworks that largely agree with clinical knowledge and identify common as well as novel, and potentially druggable, drivers of tumor progression. As a result this method could be potentially highly useful on interpreting classification results on the individual patient level, as for example in precision medicine approaches or a molecular tumor board.Availabilityhttps://gitlab.gwdg.de/UKEBpublic/graph-lrphttps://frankkramer-lab.github.io/MetaRelSubNetVis/[email protected]

scholarly journals Clustering analysis of tumor metabolic networks

2020 ◽  
Vol 21 (S10) ◽  
Author(s):  
Ichcha Manipur ◽  
Ilaria Granata ◽  
Lucia Maddalena ◽  
Mario R. Guarracino
Keyword(s):  
Gene Expression ◽  
Gene Expression Data ◽  
Protein Interactions ◽  
Biological Networks ◽  
Clustering Analysis ◽  
Large Scale ◽  
Metabolic Networks ◽  
Computational Time ◽  
Expression Data ◽  
Metabolic Models

Abstract Background Biological networks are representative of the diverse molecular interactions that occur within cells. Some of the commonly studied biological networks are modeled through protein-protein interactions, gene regulatory, and metabolic pathways. Among these, metabolic networks are probably the most studied, as they directly influence all physiological processes. Exploration of biochemical pathways using multigraph representation is important in understanding complex regulatory mechanisms. Feature extraction and clustering of these networks enable grouping of samples obtained from different biological specimens. Clustering techniques separate networks depending on their mutual similarity. Results We present a clustering analysis on tissue-specific metabolic networks for single samples from three primary tumor sites: breast, lung, and kidney cancer. The metabolic networks were obtained by integrating genome scale metabolic models with gene expression data. We performed network simplification to reduce the computational time needed for the computation of network distances. We empirically proved that networks clustering can characterize groups of patients in multiple conditions. Conclusions We provide a computational methodology to explore and characterize the metabolic landscape of tumors, thus providing a general methodology to integrate analytic metabolic models with gene expression data. This method represents a first attempt in clustering large scale metabolic networks. Moreover, this approach gives the possibility to get valuable information on what are the effects of different conditions on the overall metabolism.

scholarly journals A Fast Quad-Tree Based Two Dimensional Hierarchical Clustering

2012 ◽  
Vol 6 ◽  
pp. BBI.S10383
Author(s):  
Priscilla Rajadurai ◽  
Swamynathan Sankaranarayanan
Keyword(s):  
Gene Expression ◽  
Hierarchical Clustering ◽  
Gene Expression Data ◽  
Biological Networks ◽  
Processing Time ◽  
Clustering Algorithm ◽  
Expression Patterns ◽  
Expression Data ◽  
Important Time ◽  
Analogous Expression

Recently, microarray technologies have become a robust technique in the area of genomics. An important step in the analysis of gene expression data is the identification of groups of genes disclosing analogous expression patterns. Cluster analysis partitions a given dataset into groups based on specified features. Euclidean distance is a widely used similarity measure for gene expression data that considers the amount of changes in gene expression. However, the huge number of genes and the intricacy of biological networks have highly increased the challenges of comprehending and interpreting the resulting group of data, increasing processing time. The proposed technique focuses on a QT based fast 2-dimensional hierarchical clustering algorithm to perform clustering. The construction of the closest pair data structure is an each level is an important time factor, which determines the processing time of clustering. The proposed model reduces the processing time and improves analysis of gene expression data.

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