Creating non-minimal triangulations for use in inference in mixed stochastic/deterministic graphical models

We demonstrate that certain large-clique graph triangulations can be useful for reducing computational requirements when making queries on mixed stochastic/deterministic graphical models. This is counter to the conventional wisdom that triangulations that minimize clique size are always most desirable for use in computing queries on graphical models. Many of these large-clique triangulations are non-minimal and are thus unattainable via the popular elimination algorithm. We introduce ancestral pairs as the basis for novel triangulation heuristics and prove that no more than the addition of edges between ancestral pairs needs to be considered when searching for state space optimal triangulations in such graphs. Empirical results on random and real world graphs are given. We also present an algorithm and correctness proof for determining if a triangulation can be obtained via elimination, and we show that the decision problem associated with finding optimal state space triangulations in this mixed setting is NP-complete.     

Design of a grid service-based platform for in silico protein-ligand screenings

Grid computing offers the powerful alternative of sharing resources on a worldwide scale, across different institutions to run computationally intensive, scientific applications without the need for a centralized supercomputer. Much effort has been put into development of software that deploys legacy applications on a grid-based infrastructure and efficiently uses available resources. One field that can benefit greatly from the use of grid resources is that of drug discovery since molecular docking simulations are an integral part of the discovery process. In this paper, we present a scalable, reusable platform to choreograph large virtual screening experiments over a computational grid using the molecular docking simulation software DOCK. Software components are applied on multiple levels to create automated workflows consisting of input data delivery, job scheduling, status query, and collection of output to be displayed in a manageable fashion for further analysis. This was achieved using Opal OP to wrap the DOCK application as a grid service and PERL for data manipulation purposes, alleviating the requirement for extensive knowledge of grid infrastructure. With the platform in place, a screening of the ZINC 2,066,906 compound "drug-like" subset database against an enzyme's catalytic site was successfully performed using the MPI version of DOCK 5.4 on the PRAGMA grid testbed. The screening required 11.56 days laboratory time and utilized 200 processors over 7 clusters.     

Trading Off Cache Capacity for Low-Voltage Operation

Two proposed techniques let microprocessors operate at low voltages despite high memory-cell failure rates. They identify and disable defective portions of the cache at two granularities: individual words or pairs of bits. Both techniques use the entire cache during high-voltage operation while sacrificing cache capacity during low-voltage operation to reduce the minimum voltage below 500 mV.     

An investigation of multiphase CFD modelling of a lateral sloshing tank

A near-resonant, sway-induced sloshing flow in a rectangular tank is used to compare a homogeneous and inhomogeneous multiphase approach for fluid density and viscosity in a commercial CFD code. Dimensional analysis of the relative motion between the phases suggests the application of an inhomogeneous multiphase model whereas previous published work has used the computationally cheaper homogeneous (or average property) approach. The comparison between the computational and experimental results shows that the homogeneous model tends to underestimate the experimental peak pressures by up to 50%. The inhomogeneous multiphase model gives good agreement with the experimental pressure data. Examination of the relative velocity at the fluid interface confirms that the inhomogeneous model is the appropriate model to use for the simulation of a violent sloshing flow.     

Culture & biometrics: regional differences in the perception of biometric authentication technologies

Previous research has identified user concerns about biometric authentication technology, but most of this research has been conducted in European contexts. There is a lack of research that has investigated attitudes towards biometric technology in other cultures. To address this issue, data from India, South Africa and the United Kingdom were collected and compared. Cross-cultural attitudinal differences were seen, with Indian respondents viewing biometrics most positively while respondents from the United Kingdom were the least likely to have a positive opinion about biometrics. Multiple barriers to the acceptance of biometric technology were identified with data security and health and safety fears having the greatest overall impact on respondents’ attitudes towards biometrics. The results of this investigation are discussed with reference to Hofstede’s cultural dimensions and theories of technology acceptance. It is argued that contextual issues specific to each country provide a better explanation of the results than existing theories based on Hofstede’s model. We conclude that cultural differences have an impact on the way biometric systems will be used and argue that these factors should be taken into account during the design and implementation of biometric systems.     

Narrow Band FLIP for Liquid Simulations

The Fluid Implicit Particle method (FLIP) for liquid simulations uses particles to reduce numerical dissipation and provide important visual cues for events like complex splashes and small‐scale features near the liquid surface. Unfortunately, FLIP simulations can be computationally expensive, because they require a dense sampling of particles to fill the entire liquid volume. Furthermore, the vast majority of these FLIP particles contribute nothing to the fluid's visual appearance, especially for larger volumes of liquid. We present a method that only uses FLIP particles within a narrow band of the liquid surface, while efficiently representing the remaining inner volume on a regular grid. We show that a naïve realization of this idea introduces unstable and uncontrollable energy fluctuations, and we propose a novel coupling scheme between FLIP particles and regular grid which overcomes this problem. Our method drastically reduces the particle count and simulation times while yielding results that are nearly indistinguishable from regular FLIP simulations. Our approach is easy to integrate into any existing FLIP implementation.     

Assessing tropical cyclone impacts using object-based moderate spatial resolution image analysis: a case study in Bangladesh

The environmental and societal impacts of tropical cyclones could be reduced using a range of management initiatives. Remote sensing can be a cost effective, accurate, and potential tool for mapping the multiple impacts caused by tropical cyclones using high-to-moderate spatial resolution (5–30 m) satellite imagery to provide data on the following essential parameters – evacuation, relief, and management of natural resources. This study developed and evaluated an approach for assessing the impacts of tropical cyclones through object-based image analysis and moderate spatial resolution imagery. Pre- and post-cyclone maps of artificial and natural features are required for assessing the overall impacts in the landscape that could be acquired by mapping specific land cover types. We used the object-based approach to map land-cover types in pre- and post-cyclone Satellite Pour l’Observation de la Terre (SPOT) 5 image data and the post-classification comparison technique to identify changes in the particular features in the landscape. Cyclone Sidr (2007) was used to test the applicability of this approach in Sarankhola Upazila in Bangladesh. The object-based approach provided accurate results for classifying features from pre- and post-cyclone satellite images with an overall accuracy of 95.43% and 93.27%, respectively. Mapped changes identified the extent, type, and form of cyclone induced impacts. Our results indicate that 63.15% of the study area was significantly affected by cyclone Sidr. The majority of mapped damage was found in vegetation, cropped lands, settlements, and infrastructure. The damage results were verified through the high spatial resolution satellite imagery, reports and pictures that were taken after the cyclone. The methods developed may be used in future to assess the multiple impacts caused by tropical cyclones in Bangladesh and other similar environments for the purposes of tropical cyclone disaster management.     

Recommendations to support interaction with broadcast debates: a study on older adults’ interaction with <Emphasis Type="Italic">The Moral Maze</Emphasis>

Current methods to capture, analyse and present the audience participation of broadcast events are increasingly carried out using social media. Uptake of such technology tools has so far been poor amongst older adults, and it has the worrying effect of excluding the demographic from participation. Our work explores whether a common desire to interact with debates can be tapped with technology with a very low barrier to entry, to both support better engagement with broadcast debates and encourage greater use of social media. This paper describes experiments where older adults interact with a BBC radio debate programme: The Moral Maze. As a result, we obtained common interaction patterns which then are used to define recommendations for software-supported interaction with debates based on theories of argumentation. Our goal is to combine research on computational models of argument and user-driven research on human-centred computing in a project with the potential for high-profile impact in addressing older adults inclusion in the digital economy.