Model refinement through high-performance computing: an agent-based HIV example

Background Recent advances in Immunology highlighted the importance of local properties on the overall progression of HIV infection. In particular, the gastrointestinal tract is seen as a key area during early infection, and the massive cell depletion associated with it may influence subsequent disease progression. This motivated the development of a large-scale agent-based model. Results Lymph nodes are explicitly implemented, and considerations on parallel computing permit large simulations and the inclusion of local features. The results obtained show that GI tract inclusion in the model leads to an accelerated disease progression, during both the early stages and the long-term evolution, compared to a theoretical, uniform model. Conclusions These results confirm the potential of treatment policies currently under investigation, which focus on this region. They also highlight the potential of this modelling framework, incorporating both agent-based and network-based components, in the context of complex systems where scaling-up alone does not result in models providing additional insights.

Complexity and high-end computing in biology and medicine

Biomedical systems involve a large number of entities and intricate interactions between these. Their direct analysis is, therefore, difficult, and it is often necessary to rely on computational models. These models require significant resources and parallel computing solutions. These approaches are particularly suited, given parallel aspects in the nature of biomedical systems. Model hybridisation also permits the integration and simultaneous study of multiple aspects and scales of these systems, thus providing an efficient platform for multidisciplinary research.

From bio-inspired computing to e-Biology

Several algorithms and techniques widely used in Computer Science have been adapted from, or inspired by, known biological phenomena. This is a consequence of the multidisciplinary background of most early computer scientists. The field has now matured, and permits development of tools and collaborative frameworks which play a vital role in advancing current biomedical research. In this paper, we briefly present examples of the former, and elaborate upon two of the latter, applied to immunological modelling and as a new paradigm in gene expression.

High-performance computing for data analytics

One of the main challenges in data analytics is that discovering structures and patterns in complex datasets is a computer-intensive task. Recent advances in high-performance computing provide part of the solution. Multicore systems are now more affordable and more accessible. In this paper, we investigate how this can be used to develop more advanced methods for data analytics. We focus on two specific areas: model-driven analysis and data mining using optimisation techniques.

Performance evaluation of cloud-based parallel computing

As computational models in fields such as medicine and engineering get more refined, resource requirements are increased. In a first instance, these needs have been satisfied using parallel computing and HPC clusters. However, such systems are often costly and lack flexibility. HPC users are therefore tempted to move to elastic HPC using cloud services. One difficulty in making this transition is that HPC and cloud systems are different, and performance may vary. The purpose of this study is to evaluate cloud services as a means to minimise both cost and computation time for large-scale simulations, and to identify which system properties have the most significant impact on performance. Our simulation results show that, while the performance of Virtual CPU (VCPU) is satisfactory, network throughput may lead to difficulties.

Estimating link-dependent origin-destination matrices from sample trajectories and traffic counts

In transport networks, Origin-Destination matrices (ODM) are classically estimated from road traffic counts whereas recent technologies grant also access to sample car trajectories. One example is the deployment in cities of Bluetooth scanners that measure the trajectories of Bluetooth equipped cars. Exploiting such sample trajectory information, the classical ODM estimation problem is here extended into a link-dependent ODM (LODM) one. This much larger size estimation problem is formulated here in a variational form as an inverse problem. We develop a convex optimization resolution algorithm that incorporates network constraints. We study the result of the proposed algorithm on simulated network traffic.

Impact of real-time traffic characteristics on freeway crash occurrence: Systematic review and meta-analysis

The development of methods for real-time crash prediction as a function of current or recent traffic and roadway conditions is gaining increasing attention in the literature. Numerous studies have modeled the relationships between traffic characteristics and crash occurrence, and significant progress has been made. Given the accumulated evidence on this topic and the lack of an articulate summary of research status, challenges, and opportunities, there is an urgent need to scientifically review these studies and to synthesize the existing state-of-the-art knowledge. This paper addresses this need by undertaking a systematic literature review to identify current knowledge, challenges, and opportunities, and then conducts a meta-analysis of existing studies to provide a summary impact of traffic characteristics on crash occurrence. Sensitivity analyses were conducted to assess quality, publication bias, and outlier bias of the various studies; and the time intervals used to measure traffic characteristics were also considered. As a result of this comprehensive and systematic review, issues in study designs, traffic and crash data, and model development and validation are discussed. Outcomes of this study are intended to provide researchers focused on real-time crash prediction with greater insight into the modeling of this important but extremely challenging safety issue.

How the energy sector could get it wrong with cloud computing

Cloud computing has significantly impacted a broad range of industries, but these technologies and services have been absorbed throughout the marketplace unevenly. Some industries have moved aggressively towards cloud computing, while others have moved much more slowly. For the most part, the energy sector has approached cloud computing in a measured and cautious way, with progress often in the form of private cloud solutions rather than public ones, or hybridized information technology systems that combine cloud and existing non-cloud architectures. By moving towards cloud computing in a very slow and tentative way, however, the energy industry may prevent itself from reaping the full benefit that a more complete migration to the public cloud has brought about in several other industries. This short communication is accordingly intended to offer a high-level overview of cloud computing, and to put forward the argument that the energy sector should make a more complete migration to the public cloud in order to unlock the major system-wide efficiencies that cloud computing can provide. Also, assets within the energy sector should be designed with as much modularity and flexibility as possible so that they are not locked out of cloud-friendly options in the future.

GPU accelerated algorithms for computing matrix function vector products with applications to exponential integrators and fractional diffusion

The efficient computation of matrix function vector products has become an important area of research in recent times, driven in particular by two important applications: the numerical solution of fractional partial differential equations and the integration of large systems of ordinary differential equations. In this work we consider a problem that combines these two applications, in the form of a numerical solution algorithm for fractional reaction diffusion equations that after spatial discretisation, is advanced in time using the exponential Euler method. We focus on the efficient implementation of the algorithm on Graphics Processing Units (GPU), as we wish to make use of the increased computational power available with this hardware. We compute the matrix function vector products using the contour integration method in [N. Hale, N. Higham, and L. Trefethen. Computing Aα, log(A), and related matrix functions by contour integrals. SIAM J. Numer. Anal., 46(5):2505–2523, 2008]. Multiple levels of preconditioning are applied to reduce the GPU memory footprint and to further accelerate convergence. We also derive an error bound for the convergence of the contour integral method that allows us to pre-determine the appropriate number of quadrature points. Results are presented that demonstrate the effectiveness of the method for large two-dimensional problems, showing a speedup of more than an order of magnitude compared to a CPU-only implementation.

Modelling collision potentials in Port Anchorages: Application of the Navigational Traffic Conflict Technique (NTCT)

Despite the extent of works done on modelling port water collisions, not much research effort has been devoted to modelling collisions at port anchorages. This paper aims to fill this important gap in literature by applying the Navigation Traffic Conflict Technique (NTCT) for measuring the collision potentials in anchorages and for examining the factors contributing to collisions. Grounding on the principles of the NTCT, a collision potential measurement model and a collision potential prediction model were developed. These models were illustrated by using vessel movement data of the anchorages in Singapore port waters. Results showed that the measured collision potentials are in close agreement with those perceived by harbour pilots. Higher collision potentials were found in anchorages attached to shoreline and international fairways, but not at those attached to confined water. Higher operating speeds, larger numbers of isolated danger marks and day conditions were associated with reduction in the collision potentials.

Real-time traffic state estimation in urban corridors from heterogeneous data

In recent years, rapid advances in information technology have led to various data collection systems which are enriching the sources of empirical data for use in transport systems. Currently, traffic data are collected through various sensors including loop detectors, probe vehicles, cell-phones, Bluetooth, video cameras, remote sensing and public transport smart cards. It has been argued that combining the complementary information from multiple sources will generally result in better accuracy, increased robustness and reduced ambiguity. Despite the fact that there have been substantial advances in data assimilation techniques to reconstruct and predict the traffic state from multiple data sources, such methods are generally data-driven and do not fully utilize the power of traffic models. Furthermore, the existing methods are still limited to freeway networks and are not yet applicable in the urban context due to the enhanced complexity of the flow behavior. The main traffic phenomena on urban links are generally caused by the boundary conditions at intersections, un-signalized or signalized, at which the switching of the traffic lights and the turning maneuvers of the road users lead to shock-wave phenomena that propagate upstream of the intersections. This paper develops a new model-based methodology to build up a real-time traffic prediction model for arterial corridors using data from multiple sources, particularly from loop detectors and partial observations from Bluetooth and GPS devices.

Introduction to the Proceedings of the Workshop on User-Focused Service Engineering, Consumption and Aggregation (USECA) 2011

The first User-Focused Service Engineering, Consumption and Aggregation workshop (USECA) in 2011 was held in conjunction with the WISE 2011 conference in Sydney, Australia. Web services and related technology are a widely accepted standard architectural paradigm for application development. The idea of reusing existing software components to build new applications has been well documented and supported for the world of enterprise computing and professional developers. However, this powerful idea has not been transferred to end-users who have limited or no computing knowledge. The current methodologies, models, languages and tools developed for Web service composition are suited to IT professionals and people with years of training in computing technologies. It is still hard to imagine any of these technologies being used by business professionals, as opposed to computing professionals. © 2013 Springer-Verlag.

Estimating link-dependent origin-destination matrices from sample trajectories and traffic counts

Origin-Destination matrices (ODM) estimation can benefits of the availability of sample trajectories which can be measured thanks to recent technologies. This paper focus on the case of transport networks where traffic counts are measured by magnetic loops and sample trajectories available. An example of such network is the city of Brisbane, where Bluetooth detectors are now operating. This additional data source is used to extend the classical ODM estimation to a link-specific ODM (LODM) one using a convex optimisation resolution that incorporates networks constraints as well. The proposed algorithm is assessed on a simulated network.

Distributed computing of all-to-all comparison problems in heterogeneous systems

The requirement of distributed computing of all-to-all comparison (ATAC) problems in heterogeneous systems is increasingly important in various domains. Though Hadoop-based solutions are widely used, they are inefficient for the ATAC pattern, which is fundamentally different from the MapReduce pattern for which Hadoop is designed. They exhibit poor data locality and unbalanced allocation of comparison tasks, particularly in heterogeneous systems. The results in massive data movement at runtime and ineffective utilization of computing resources, affecting the overall computing performance significantly. To address these problems, a scalable and efficient data and task distribution strategy is presented in this paper for processing large-scale ATAC problems in heterogeneous systems. It not only saves storage space but also achieves load balancing and good data locality for all comparison tasks. Experiments of bioinformatics examples show that about 89\% of the ideal performance capacity of the multiple machines have be achieved through using the approach presented in this paper.

A framework for freeway incident modeling and traffic re-routing

This paper proposes an analytical Incident Traffic Management framework for freeway incident modeling and traffic re-routing. The proposed framework incorporates an econometric incident duration model and a traffic re-routing optimization module. The incident duration model is used to estimate the expected duration of the incident and thus determine the planning horizon for the re-routing module. The re-routing module is a CTM-based Single Destination System Optimal Dynamic Traffic Assignment model that generates optimal real-time strategies of re-routing freeway traffic to its adjacent arterial network during incidents. The proposed framework has been applied to a case study network including a freeway and its adjacent arterial network in South East Queensland, Australia. The results from different scenarios of freeway demand and incident blockage extent have been analyzed and advantages of the proposed framework are demonstrated.