The Discrete Infinite Logistic Normal Distribution

We present the discrete infinite logistic normal distribution (DILN), a Bayesian nonparametric prior for mixed membership models. DILN is a generalization of the hierarchical Dirichlet process (HDP) that models correlation structure between the weights of the atoms at the group level. We derive a representation of DILN as a normalized collection of gamma-distributed random variables, and study its statistical properties. We consider applications to topic modeling and derive a variational inference algorithm for approximate posterior inference. We study the empirical performance of the DILN topic model on four corpora, comparing performance with the HDP and the correlated topic model (CTM). To deal with large-scale data sets, we also develop an online inference algorithm for DILN and compare with online HDP and online LDA on the Nature magazine, which contains approximately 350,000 articles.Comment: This paper will appear in Bayesian Analysis. A shorter version of this paper appeared at AISTATS 2011, Fort Lauderdale, FL, US

A structured approach for the engineering of biochemical network models, illustrated for signalling pathways

http://dx.doi.org/10.1093/bib/bbn026Quantitative models of biochemical networks (signal transduction cascades, metabolic pathways, gene regulatory circuits) are a central component of modern systems biology. Building and managing these complex models is a major challenge that can benefit from the application of formal methods adopted from theoretical computing science. Here we provide a general introduction to the field of formal modelling, which emphasizes the intuitive biochemical basis of the modelling process, but is also accessible for an audience with a background in computing science and/or model engineering. We show how signal transduction cascades can be modelled in a modular fashion, using both a qualitative approach { Qualitative Petri nets, and quantitative approaches { Continuous Petri Nets and Ordinary Differential Equations. We review the major elementary building blocks of a cellular signalling model, discuss which critical design decisions have to be made during model building, and present ..

Computational Biology

Computational biology is an interdisciplinary field that applies the techniques of computer science, applied mathematics, and statistics to address biological questions. OR is also interdisciplinary and applies the same mathematical and computational sciences, but to decision-making problems. Both focus on developing mathematical models and designing algorithms to solve them. Models in computational biology vary in their biological domain and can range from the interactions of genes and proteins to the relationships among organisms and species

Design and synthesis of bis-amide and hydrazide-containing derivatives of malonic acid as potential HIV-1 integrase inhibitors

HIV-1 integrase (IN) is an attractive and validated target for the development of novel therapeutics against AIDS. In the search for new IN inhibitors, we designed and synthesized three series of bis-amide and hydrazide-containing derivatives of malonic acid. We performed a docking study to investigate the potential interactions of the title compounds with essential amino acids on the IN active site