edge2vec: Representation learning using edge semantics for biomedical knowledge discovery.

BACKGROUND: Representation learning provides new and powerful graph analytical approaches and tools for the highly valued data science challenge of mining knowledge graphs. Since previous graph analytical methods have mostly focused on homogeneous graphs, an important current challenge is extending this methodology for richly heterogeneous graphs and knowledge domains. The biomedical sciences are such a domain, reflecting the complexity of biology, with entities such as genes, proteins, drugs, diseases, and phenotypes, and relationships such as gene co-expression, biochemical regulation, and biomolecular inhibition or activation. Therefore, the semantics of edges and nodes are critical for representation learning and knowledge discovery in real world biomedical problems. RESULTS: In this paper, we propose the edge2vec model, which represents graphs considering edge semantics. An edge-type transition matrix is trained by an Expectation-Maximization approach, and a stochastic gradient descent model is employed to learn node embedding on a heterogeneous graph via the trained transition matrix. edge2vec is validated on three biomedical domain tasks: biomedical entity classification, compound-gene bioactivity prediction, and biomedical information retrieval. Results show that by considering edge-types into node embedding learning in heterogeneous graphs, edge2vec significantly outperforms state-of-the-art models on all three tasks. CONCLUSIONS: We propose this method for its added value relative to existing graph analytical methodology, and in the real world context of biomedical knowledge discovery applicability.

Predicate Oriented Pattern Analysis for Biomedical Knowledge Discovery.

In the current biomedical data movement, numerous efforts have been made to convert and normalize a large number of traditional structured and unstructured data (e.g., EHRs, reports) to semi-structured data (e.g., RDF, OWL). With the increasing number of semi-structured data coming into the biomedical community, data integration and knowledge discovery from heterogeneous domains become important research problem. In the application level, detection of related concepts among medical ontologies is an important goal of life science research. It is more crucial to figure out how different concepts are related within a single ontology or across multiple ontologies by analysing predicates in different knowledge bases. However, the world today is one of information explosion, and it is extremely difficult for biomedical researchers to find existing or potential predicates to perform linking among cross domain concepts without any support from schema pattern analysis. Therefore, there is a need for a mechanism to do predicate oriented pattern analysis to partition heterogeneous ontologies into closer small topics and do query generation to discover cross domain knowledge from each topic. In this paper, we present such a model that predicates oriented pattern analysis based on their close relationship and generates a similarity matrix. Based on this similarity matrix, we apply an innovated unsupervised learning algorithm to partition large data sets into smaller and closer topics and generate meaningful queries to fully discover knowledge over a set of interlinked data sources. We have implemented a prototype system named BmQGen and evaluate the proposed model with colorectal surgical cohort from the Mayo Clinic.