Drug-therapy networks and the predictions of novel drug targets

Recently, a number of drug-therapy, disease, drug, and drug-target networks have been introduced. Here we suggest novel methods for network-based prediction of novel drug targets and for improvement of drug efficiency by analysing the effects of drugs on the robustness of cellular networks.Comment: This is an extended version of the Journal of Biology paper containing 2 Figures, 1 Table and 44 reference

Structural Deep Embedding for Hyper-Networks

Network embedding has recently attracted lots of attentions in data mining. Existing network embedding methods mainly focus on networks with pairwise relationships. In real world, however, the relationships among data points could go beyond pairwise, i.e., three or more objects are involved in each relationship represented by a hyperedge, thus forming hyper-networks. These hyper-networks pose great challenges to existing network embedding methods when the hyperedges are indecomposable, that is to say, any subset of nodes in a hyperedge cannot form another hyperedge. These indecomposable hyperedges are especially common in heterogeneous networks. In this paper, we propose a novel Deep Hyper-Network Embedding (DHNE) model to embed hyper-networks with indecomposable hyperedges. More specifically, we theoretically prove that any linear similarity metric in embedding space commonly used in existing methods cannot maintain the indecomposibility property in hyper-networks, and thus propose a new deep model to realize a non-linear tuplewise similarity function while preserving both local and global proximities in the formed embedding space. We conduct extensive experiments on four different types of hyper-networks, including a GPS network, an online social network, a drug network and a semantic network. The empirical results demonstrate that our method can significantly and consistently outperform the state-of-the-art algorithms.Comment: Accepted by AAAI 1

edge2vec: Representation learning using edge semantics for biomedical knowledge discovery

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. 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, \textbf{edge2vec}\ significantly outperforms state-of-the-art models on all three tasks. 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.Comment: 10 page

Encoding Robust Representation for Graph Generation

Generative networks have made it possible to generate meaningful signals such as images and texts from simple noise. Recently, generative methods based on GAN and VAE were developed for graphs and graph signals. However, the mathematical properties of these methods are unclear, and training good generative models is difficult. This work proposes a graph generation model that uses a recent adaptation of Mallat's scattering transform to graphs. The proposed model is naturally composed of an encoder and a decoder. The encoder is a Gaussianized graph scattering transform, which is robust to signal and graph manipulation. The decoder is a simple fully connected network that is adapted to specific tasks, such as link prediction, signal generation on graphs and full graph and signal generation. The training of our proposed system is efficient since it is only applied to the decoder and the hardware requirements are moderate. Numerical results demonstrate state-of-the-art performance of the proposed system for both link prediction and graph and signal generation.Comment: 9 pages, 7 figures, 6 table

Machine Learning and Integrative Analysis of Biomedical Big Data.

Recent developments in high-throughput technologies have accelerated the accumulation of massive amounts of omics data from multiple sources: genome, epigenome, transcriptome, proteome, metabolome, etc. Traditionally, data from each source (e.g., genome) is analyzed in isolation using statistical and machine learning (ML) methods. Integrative analysis of multi-omics and clinical data is key to new biomedical discoveries and advancements in precision medicine. However, data integration poses new computational challenges as well as exacerbates the ones associated with single-omics studies. Specialized computational approaches are required to effectively and efficiently perform integrative analysis of biomedical data acquired from diverse modalities. In this review, we discuss state-of-the-art ML-based approaches for tackling five specific computational challenges associated with integrative analysis: curse of dimensionality, data heterogeneity, missing data, class imbalance and scalability issues