Intelligence in Scientific Computing

Combining numerical techniques with ideas from symbolic computation and with methods incorporating knowledge of science and mathematics leads to a new category of intelligent computational tools for scientists and engineers. These tools autonomously prepare simulation experiments from high-level specifications of physical models. For computationally intensive experiments, they automatically design special-purpose numerical engines optimized to perform the necessary computations. They actively monitor numerical and physical experiments. They interpret experimental data and formulate numerical results in qualitative terms. They enable their human users to control computational experiments in terms of high-level behavioral descriptions.

Comparison Between Subsonic Flow Simulation and Physical Measurements of Flue Pipes

Direct simulations of wind musical instruments using the compressible Navier Stokes equations have recently become possible through the use of parallel computing and through developments in numerical methods. As a first demonstration, the flow of air and the generation of musical tones inside a soprano recorder are simulated numerically. In addition, physical measurements are made of the acoustic signal generated by the recorder at different blowing speeds. The comparison between simulated and physically measured behavior is encouraging and points towards ways of improving the simulations.

Delegation, Arbitration and High-Level Service Discovery as Key Elements of a Software Infrastructure for Pervasive Computing

The dream of pervasive computing is slowly becoming a reality. A number of projects around the world are constantly contributing ideas and solutions that are bound to change the way we interact with our environments and with one another. An essential component of the future is a software infrastructure that is capable of supporting interactions on scales ranging from a single physical space to intercontinental collaborations. Such infrastructure must help applications adapt to very diverse environments and must protect people's privacy and respect their personal preferences. In this paper we indicate a number of limitations present in the software infrastructures proposed so far (including our previous work). We then describe the framework for building an infrastructure that satisfies the abovementioned criteria. This framework hinges on the concepts of delegation, arbitration and high-level service discovery. Components of our own implementation of such an infrastructure are presented.

A Customizable Camera-based Human Computer Interaction System Allowing People With Disabilities Autonomous Hands Free Navigation of Multiple Computing Task

Many people suffer from conditions that lead to deterioration of motor control and makes access to the computer using traditional input devices difficult. In particular, they may loose control of hand movement to the extent that the standard mouse cannot be used as a pointing device. Most current alternatives use markers or specialized hardware to track and translate a user's movement to pointer movement. These approaches may be perceived as intrusive, for example, wearable devices. Camera-based assistive systems that use visual tracking of features on the user's body often require cumbersome manual adjustment. This paper introduces an enhanced computer vision based strategy where features, for example on a user's face, viewed through an inexpensive USB camera, are tracked and translated to pointer movement. The main contributions of this paper are (1) enhancing a video based interface with a mechanism for mapping feature movement to pointer movement, which allows users to navigate to all areas of the screen even with very limited physical movement, and (2) providing a customizable, hierarchical navigation framework for human computer interaction (HCI). This framework provides effective use of the vision-based interface system for accessing multiple applications in an autonomous setting. Experiments with several users show the effectiveness of the mapping strategy and its usage within the application framework as a practical tool for desktop users with disabilities.

Pervasive handheld computing systems

The technological role of handheld devices is fundamentally changing. Portable computers were traditionally application specific. They were designed and optimised to deliver a specific task. However, it is now commonly acknowledged that future handheld devices need to be multi-functional and need to be capable of executing a range of high-performance applications. This thesis has coined the term pervasive handheld computing systems to refer to this type of mobile device. Portable computers are faced with a number of constraints in trying to meet these objectives. They are physically constrained by their size, their computational power, their memory resources, their power usage, and their networking ability. These constraints challenge pervasive handheld computing systems in achieving their multi-functional and high-performance requirements. This thesis proposes a two-pronged methodology to enable pervasive handheld computing systems meet their future objectives. The methodology is a fusion of two independent and yet complementary concepts. The first step utilises reconfigurable technology to enhance the physical hardware resources within the environment of a handheld device. This approach recognises that reconfigurable computing has the potential to dynamically increase the system functionality and versatility of a handheld device without major loss in performance. The second step of the methodology incorporates agent-based middleware protocols to support handheld devices to effectively manage and utilise these reconfigurable hardware resources within their environment. The thesis asserts the combined characteristics of reconfigurable computing and agent technology can meet the objectives of pervasive handheld computing systems.

iMarNet: an ocean biogeochemistry model intercomparison project within a common physical ocean modelling framework

Ocean biogeochemistry (OBGC) models span a wide variety of complexities, including highly simplified nutrient-restoring schemes, nutrient–phytoplankton–zooplankton–detritus (NPZD) models that crudely represent the marine biota, models that represent a broader trophic structure by grouping organisms as plankton functional types (PFTs) based on their biogeochemical role (dynamic green ocean models) and ecosystem models that group organisms by ecological function and trait. OBGC models are now integral components of Earth system models (ESMs), but they compete for computing resources with higher resolution dynamical setups and with other components such as atmospheric chemistry and terrestrial vegetation schemes. As such, the choice of OBGC in ESMs needs to balance model complexity and realism alongside relative computing cost. Here we present an intercomparison of six OBGC models that were candidates for implementation within the next UK Earth system model (UKESM1). The models cover a large range of biological complexity (from 7 to 57 tracers) but all include representations of at least the nitrogen, carbon, alkalinity and oxygen cycles. Each OBGC model was coupled to the ocean general circulation model Nucleus for European Modelling of the Ocean (NEMO) and results from physically identical hindcast simulations were compared. Model skill was evaluated for biogeochemical metrics of global-scale bulk properties using conventional statistical techniques. The computing cost of each model was also measured in standardised tests run at two resource levels. No model is shown to consistently outperform all other models across all metrics. Nonetheless, the simpler models are broadly closer to observations across a number of fields and thus offer a high-efficiency option for ESMs that prioritise high-resolution climate dynamics. However, simpler models provide limited insight into more complex marine biogeochemical processes and ecosystem pathways, and a parallel approach of low-resolution climate dynamics and high-complexity biogeochemistry is desirable in order to provide additional insights into biogeochemistry–climate interactions.

Natural three-qubit interactions in one-way quantum computing

We address the effects of natural three-qubit interactions on the computational power of one-way quantum computation. A benefit of using more sophisticated entanglement structures is the ability to construct compact and economic simulations of quantum algorithms with limited resources. We show that the features of our study are embodied by suitably prepared optical lattices, where effective three-spin interactions have been theoretically demonstrated. We use this to provide a compact construction for the Toffoli gate. Information flow and two-qubit interactions are also outlined, together with a brief analysis of relevant sources of imperfection.

Sequential measurement-based quantum computing with memories

We introduce a general scheme for sequential one-way quantum computation where static systems with long-living quantum coherence (memories) interact with moving systems that may possess very short coherence times. Both the generation of the cluster state needed for the computation and its consumption by measurements are carried out simultaneously. As a consequence, effective clusters of one spatial dimension fewer than in the standard approach are sufficient for computation. In particular, universal computation requires only a one-dimensional array of memories. The scheme applies to discrete-variable systems of any dimension as well as to continuous-variable ones, and both are treated equivalently under the light of local complementation of graphs. In this way our formalism introduces a general framework that encompasses and generalizes in a unified manner some previous system-dependent proposals. The procedure is intrinsically well suited for implementations with atom-photon interfaces.

Computing probable maximum loss in catastrophe reinsurance portfolios on multi-core and many-core architectures

In the reinsurance market, the risks natural catastrophes pose to portfolios of properties must be quantified, so that they can be priced, and insurance offered. The analysis of such risks at a portfolio level requires a simulation of up to 800 000 trials with an average of 1000 catastrophic events per trial. This is sufficient to capture risk for a global multi-peril reinsurance portfolio covering a range of perils including earthquake, hurricane, tornado, hail, severe thunderstorm, wind storm, storm surge and riverine flooding, and wildfire. Such simulations are both computation and data intensive, making the application of high-performance computing techniques desirable.

In this paper, we explore the design and implementation of portfolio risk analysis on both multi-core and many-core computing platforms. Given a portfolio of property catastrophe insurance treaties, key risk measures, such as probable maximum loss, are computed by taking both primary and secondary uncertainties into account. Primary uncertainty is associated with whether or not an event occurs in a simulated year, while secondary uncertainty captures the uncertainty in the level of loss due to the use of simplified physical models and limitations in the available data. A combination of fast lookup structures, multi-threading and careful hand tuning of numerical operations is required to achieve good performance. Experimental results are reported for multi-core processors and systems using NVIDIA graphics processing unit and Intel Phi many-core accelerators.

Contexts-management strategy in considering the security in urban computing based on urban design

Urban Computing (UrC) provides users with the situation-proper information by considering context of users, devices, and social and physical environment in urban life. With social network services, UrC makes it possible for people with common interests to organize a virtual-society through exchange of context information among them. In these cases, people and personal devices are vulnerable to fake and misleading context information which is transferred from unauthorized and unauthenticated servers by attackers. So called smart devices which run automatically on some context events are more vulnerable if they are not prepared for attacks. In this paper, we illustrate some UrC service scenarios, and show important context information, possible threats, protection method, and secure context management for people.

Improving Short DNA Sequence Alignment with Parallel Computing

Variations in different types of genomes have been found to be responsible for a large degree of physical diversity such as appearance and susceptibility to disease. Identification of genomic variations is difficult and can be facilitated through computational analysis of DNA sequences. Newly available technologies are able to sequence billions of DNA base pairs relatively quickly. These sequences can be used to identify variations within their specific genome but must be mapped to a reference sequence first. In order to align these sequences to a reference sequence, we require mapping algorithms that make use of approximate string matching and string indexing methods. To date, few mapping algorithms have been tailored to handle the massive amounts of output generated by newly available sequencing technologies. In otrder to handle this large amount of data, we modified the popular mapping software BWA to run in parallel using OpenMPI. Parallel BWA matches the efficiency of multithreaded BWA functions while providing efficient parallelism for BWA functions that do not currently support multithreading. Parallel BWA shows significant wall time speedup in comparison to multithreaded BWA on high-performance computing clusters, and will thus facilitate the analysis of genome sequencing data.

Reconfigurable Architectures for General-Purpose Computing

General-purpose computing devices allow us to (1) customize computation after fabrication and (2) conserve area by reusing expensive active circuitry for different functions in time. We define RP-space, a restricted domain of the general-purpose architectural space focussed on reconfigurable computing architectures. Two dominant features differentiate reconfigurable from special-purpose architectures and account for most of the area overhead associated with RP devices: (1) instructions which tell the device how to behave, and (2) flexible interconnect which supports task dependent dataflow between operations. We can characterize RP-space by the allocation and structure of these resources and compare the efficiencies of architectural points across broad application characteristics. Conventional FPGAs fall at one extreme end of this space and their efficiency ranges over two orders of magnitude across the space of application characteristics. Understanding RP-space and its consequences allows us to pick the best architecture for a task and to search for more robust design points in the space. Our DPGA, a fine- grained computing device which adds small, on-chip instruction memories to FPGAs is one such design point. For typical logic applications and finite- state machines, a DPGA can implement tasks in one-third the area of a traditional FPGA. TSFPGA, a variant of the DPGA which focuses on heavily time-switched interconnect, achieves circuit densities close to the DPGA, while reducing typical physical mapping times from hours to seconds. Rigid, fabrication-time organization of instruction resources significantly narrows the range of efficiency for conventional architectures. To avoid this performance brittleness, we developed MATRIX, the first architecture to defer the binding of instruction resources until run-time, allowing the application to organize resources according to its needs. Our focus MATRIX design point is based on an array of 8-bit ALU and register-file building blocks interconnected via a byte-wide network. With today's silicon, a single chip MATRIX array can deliver over 10 Gop/s (8-bit ops). On sample image processing tasks, we show that MATRIX yields 10-20x the computational density of conventional processors. Understanding the cost structure of RP-space helps us identify these intermediate architectural points and may provide useful insight more broadly in guiding our continual search for robust and efficient general-purpose computing structures.

An Animating Spark: Mundane Computing and the Web of Data

Network connectivity is reaching more and more into the physical world. This is potentially transformative – allowing every object and service in the world to talk to one other—and to their users—through any networked interface; where online services are the connective tissue of the physical world and where physical objects are avatars of online services.