3,787 research outputs found
On Designing Multicore-aware Simulators for Biological Systems
The stochastic simulation of biological systems is an increasingly popular
technique in bioinformatics. It often is an enlightening technique, which may
however result in being computational expensive. We discuss the main
opportunities to speed it up on multi-core platforms, which pose new challenges
for parallelisation techniques. These opportunities are developed in two
general families of solutions involving both the single simulation and a bulk
of independent simulations (either replicas of derived from parameter sweep).
Proposed solutions are tested on the parallelisation of the CWC simulator
(Calculus of Wrapped Compartments) that is carried out according to proposed
solutions by way of the FastFlow programming framework making possible fast
development and efficient execution on multi-cores.Comment: 19 pages + cover pag
An Introduction to Programming for Bioscientists: A Python-based Primer
Computing has revolutionized the biological sciences over the past several
decades, such that virtually all contemporary research in the biosciences
utilizes computer programs. The computational advances have come on many
fronts, spurred by fundamental developments in hardware, software, and
algorithms. These advances have influenced, and even engendered, a phenomenal
array of bioscience fields, including molecular evolution and bioinformatics;
genome-, proteome-, transcriptome- and metabolome-wide experimental studies;
structural genomics; and atomistic simulations of cellular-scale molecular
assemblies as large as ribosomes and intact viruses. In short, much of
post-genomic biology is increasingly becoming a form of computational biology.
The ability to design and write computer programs is among the most
indispensable skills that a modern researcher can cultivate. Python has become
a popular programming language in the biosciences, largely because (i) its
straightforward semantics and clean syntax make it a readily accessible first
language; (ii) it is expressive and well-suited to object-oriented programming,
as well as other modern paradigms; and (iii) the many available libraries and
third-party toolkits extend the functionality of the core language into
virtually every biological domain (sequence and structure analyses,
phylogenomics, workflow management systems, etc.). This primer offers a basic
introduction to coding, via Python, and it includes concrete examples and
exercises to illustrate the language's usage and capabilities; the main text
culminates with a final project in structural bioinformatics. A suite of
Supplemental Chapters is also provided. Starting with basic concepts, such as
that of a 'variable', the Chapters methodically advance the reader to the point
of writing a graphical user interface to compute the Hamming distance between
two DNA sequences.Comment: 65 pages total, including 45 pages text, 3 figures, 4 tables,
numerous exercises, and 19 pages of Supporting Information; currently in
press at PLOS Computational Biolog
Abnormal Event Detection in Videos using Spatiotemporal Autoencoder
We present an efficient method for detecting anomalies in videos. Recent
applications of convolutional neural networks have shown promises of
convolutional layers for object detection and recognition, especially in
images. However, convolutional neural networks are supervised and require
labels as learning signals. We propose a spatiotemporal architecture for
anomaly detection in videos including crowded scenes. Our architecture includes
two main components, one for spatial feature representation, and one for
learning the temporal evolution of the spatial features. Experimental results
on Avenue, Subway and UCSD benchmarks confirm that the detection accuracy of
our method is comparable to state-of-the-art methods at a considerable speed of
up to 140 fps
Developing and applying heterogeneous phylogenetic models with XRate
Modeling sequence evolution on phylogenetic trees is a useful technique in
computational biology. Especially powerful are models which take account of the
heterogeneous nature of sequence evolution according to the "grammar" of the
encoded gene features. However, beyond a modest level of model complexity,
manual coding of models becomes prohibitively labor-intensive. We demonstrate,
via a set of case studies, the new built-in model-prototyping capabilities of
XRate (macros and Scheme extensions). These features allow rapid implementation
of phylogenetic models which would have previously been far more
labor-intensive. XRate's new capabilities for lineage-specific models,
ancestral sequence reconstruction, and improved annotation output are also
discussed. XRate's flexible model-specification capabilities and computational
efficiency make it well-suited to developing and prototyping phylogenetic
grammar models. XRate is available as part of the DART software package:
http://biowiki.org/DART .Comment: 34 pages, 3 figures, glossary of XRate model terminolog
Molecular dynamics recipes for genome research
Molecular dynamics (MD) simulation allows one to predict the time evolution of a system of interacting particles. It is widely used in physics, chemistry and biology to address specific questions about the structural properties and dynamical mechanisms of model systems. MD earned a great success in genome research, as it proved to be beneficial in sorting pathogenic from neutral genomic mutations. Considering their computational requirements, simulations are commonly performed on HPC computing devices, which are generally expensive and hard to administer. However, variables like the software tool used for modeling and simulation or the size of the molecule under investigation might make one hardware type or configuration more advantageous than another or even make the commodity hardware definitely suitable for MD studies. This work aims to shed lights on this aspect
Infectious Disease Ontology
Technological developments have resulted in tremendous increases in the volume and diversity of the data and information that must be processed in the course of biomedical and clinical research and practice. Researchers are at the same time under ever greater pressure to share data and to take steps to ensure that data resources are interoperable. The use of ontologies to annotate data has proven successful in supporting these goals and in providing new possibilities for the automated processing of data and information. In this chapter, we describe different types of vocabulary resources and emphasize those features of formal ontologies that make them most useful for computational applications. We describe current uses of ontologies and discuss future goals for ontology-based computing, focusing on its use in the field of infectious diseases. We review the largest and most widely used vocabulary resources relevant to the study of infectious diseases and conclude with a description of the Infectious Disease Ontology (IDO) suite of interoperable ontology modules that together cover the entire infectious disease domain
Stochastic reaction networks with input processes: Analysis and applications to reporter gene systems
Stochastic reaction network models are widely utilized in biology and
chemistry to describe the probabilistic dynamics of biochemical systems in
general, and gene interaction networks in particular. Most often, statistical
analysis and inference of these systems is addressed by parametric approaches,
where the laws governing exogenous input processes, if present, are themselves
fixed in advance. Motivated by reporter gene systems, widely utilized in
biology to monitor gene activation at the individual cell level, we address the
analysis of reaction networks with state-affine reaction rates and arbitrary
input processes. We derive a generalization of the so-called moment equations
where the dynamics of the network statistics are expressed as a function of the
input process statistics. In stationary conditions, we provide a spectral
analysis of the system and elaborate on connections with linear filtering. We
then apply the theoretical results to develop a method for the reconstruction
of input process statistics, namely the gene activation autocovariance
function, from reporter gene population snapshot data, and demonstrate its
performance on a simulated case study
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