Rui Costa Martins

Abstract
Tuberculosis is one of the major public health concerns. This highly contagious disease affects more than 10.4 million people, being a leading cause of morbidity by infection. Tuberculosis is diagnosed at the point-of-care by the Ziehl-Neelsen sputum smear microscopy test. Ziehl-Neelsen is laborious, prone to human error and infection risk, with a limit of detection of 104 cells/mL. In resource-poor nations, a more practical test, with lower detection limit, is paramount. This work uses a magnetoresistive biosensor to detect BCG bacteria for tuberculosis diagnosis. Herein we report: i) nanoparticle assembly method and specificity for tuberculosis detection; ii) demonstration of proportionality between BCG cell concentration and magnetoresistive voltage signal; iii) application of multiplicative signal correction for systematic effects removal; iv) investigation of calibration effectiveness using chemometrics methods; and v) comparison with state-of-the-art point-of-care tuberculosis biosensors. Results present a clear correspondence between voltage signal and cell concentration. Multiplicative signal correction removes baseline shifts within and between biochip sensors, allowing accurate and precise voltage signal between different biochips. The corrected signal was used for multivariate regression models, which significantly decreased the calibration standard error from 0.50 to 0.03 log10 (cells/mL). Results show that Ziehl-Neelsen detection limits and below are achievable with the magnetoresistive biochip, when pre-processing and chemometrics are used. © 2017 Elsevier B.V.

Abstract
OpenCL is an open standard for parallel programming of heterogeneous compute devices, such as GPUs, CPUs, DSPs or FPGAs. However, the verbosity of its C host API can hinder application development. In this paper we present cf4ocl, a software library for rapid development of OpenCL programs in pure C. It aims to reduce the verbosity of the OpenCL API, offering straightforward memory management, integrated profiling of events (e.g., kernel execution and data transfers), simple but extensible device selection mechanism and user-friendly error management. We compare two versions of a conceptual application example, one based on cf4ocl, the other developed directly with the OpenCL host API. Results show that the former is simpler to implement and offers more features, at the cost of an effectively negligible computational overhead. Additionally, the tools provided with cf4ocl allowed for a quick analysis on how to optimize the application.

Abstract

Abstract
Computational models of complex systems are usually elaborate and sensitive to implementation details, characteristics which often affect their verification and validation. Model replication is a possible solution to this issue. It avoids biases associated with the language or toolkit used to develop the original model, not only promoting its verification and validation, but also fostering the credibility of the underlying conceptual model. However, different model implementations must be compared to assess their equivalence. The problem is, given two or more implementations of a stochastic model, how to prove that they display similar behavior? In this paper, we present a model comparison technique, which uses principal component analysis to convert simulation output into a set of linearly uncorrelated statistical measures, analyzable in a consistent, model-independent fashion. It is appropriate for ascertaining distributional equivalence of a model replication with its original implementation. Besides model-independence, this technique has three other desirable properties: a) it automatically selects output features that best explain implementation differences; b) it does not depend on the distributional properties of simulation output; and, c) it simplifies the modelers' work, as it can be used directly on simulation outputs. The proposed technique is shown to produce similar results to the manual or empirical selection of output features when applied to a well-studied reference model.

Abstract
Agent-based modeling (ABM) is a bottom-up modeling approach, where each entity of the system being modeled is uniquely represented as an independent decision-making agent. Large scale emergent behavior in ABMs is population sensitive. As such, the number of agents in a simulation should be able to reflect the reality of the system being modeled, which can be in the order of millions or billions of individuals in certain domains. A natural solution to reach acceptable scalability in commodity multi-core processors consists of decomposing models such that each component can be independently processed by a different thread in a concurrent manner. In this paper we present a multithreaded Java implementation of the PPHPC ABM, with two goals in mind: (1) compare the performance of this implementation with an existing NetLogo implementation; and, (2) study how different parallelization strategies impact simulation performance on a shared memory architecture. Results show that: (1) model parallelization can yield considerable performance gains; (2) distinct parallelization strategies offer specific trade-offs in terms of performance and simulation reproducibility; and, (3) PPHPC is a valid reference model for comparing distinct implementations or parallelization strategies, from both performance and statistical accuracy perspectives.