Niobium pentoxide as radiopacifying agent of calcium silicate-based material: evaluation of physicochemical and biological properties

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Modelling shared attention through relational reinforcement learning

Shared attention is a type of communication very important among human beings. It is sometimes reserved for the more complex form of communication being constituted by a sequence of four steps: mutual gaze, gaze following, imperative pointing and declarative pointing. Some approaches have been proposed in Human-Robot Interaction area to solve part of shared attention process, that is, the most of works proposed try to solve the first two steps. Models based on temporal difference, neural networks, probabilistic and reinforcement learning are methods used in several works. In this article, we are presenting a robotic architecture that provides a robot or agent, the capacity of learning mutual gaze, gaze following and declarative pointing using a robotic head interacting with a caregiver. Three learning methods have been incorporated to this architecture and a comparison of their performance has been done to find the most adequate to be used in real experiment. The learning capabilities of this architecture have been analyzed by observing the robot interacting with the human in a controlled environment. The experimental results show that the robotic head is able to produce appropriate behavior and to learn from sociable interaction.

A tellurium-based cathepsin B inhibitor: Molecular structure, modelling, molecular docking and biological evaluation

The crystallographically determined structure of biologically active 4,4-dichloro-1,3-diphenyl-4-telluraoct-2-en-1-one, 3, shows the coordination geometry for Te to be distorted psi-pentagonal bipyramidal based on a C2OCl3(lone pair) donor set. Notable is the presence of an intramolecular axial Te center dot center dot center dot O (carbonyl) interaction, a design element included to reduce hydrolysis. Raman and molecular modelling studies indicate the persistence of the Te center dot center dot center dot O(carbonyl) interaction in the solution (CHCl3) and gasphases, respectively. Docking studies of 3' (i.e. original 3 less one chloride) with Cathepsin B reveals a change in the configuration about the vinyl C = C bond. i.e. to E from Z (crystal structure). This isomerism allows the optimisation of interactions in the complex which features a covalent Te-SGCys29 bond. Crucially, the E configuration observed for 3' allows for the formation of a hypervalent Te center dot center dot center dot O interaction as well as an O center dot center dot center dot H-O hydrogen bond with the Gly27 and Glu122 residues, respectively. Additional stabilisation is afforded by a combination of interactions spanning the S1, S2, S1' and S2' sub-sites of Cathepsin B. The greater experimental inhibitory activity of 3 compared with analogues is rationalised by the additional interactions formed between 3' and the His110 and His111 residues in the occluding loop, which serve to hinder the entrance to the active site. (C) 2012 Elsevier B.V. All rights reserved.

Meta-models, environment and layers: agent-oriented engineering of complex systems

Traditional software engineering approaches and metaphors fall short when applied to areas of growing relevance such as electronic commerce, enterprise resource planning, and mobile computing: such areas, in fact, generally call for open architectures that may evolve dynamically over time so as to accommodate new components and meet new requirements. This is probably one of the main reasons that the agent metaphor and the agent-oriented paradigm are gaining momentum in these areas. This thesis deals with the engineering of complex software systems in terms of the agent paradigm. This paradigm is based on the notions of agent and systems of interacting agents as fundamental abstractions for designing, developing and managing at runtime typically distributed software systems. However, today the engineer often works with technologies that do not support the abstractions used in the design of the systems. For this reason the research on methodologies becomes the basic point in the scientific activity. Currently most agent-oriented methodologies are supported by small teams of academic researchers, and as a result, most of them are in an early stage and still in the first context of mostly \academic" approaches for agent-oriented systems development. Moreover, such methodologies are not well documented and very often defined and presented only by focusing on specific aspects of the methodology. The role played by meta- models becomes fundamental for comparing and evaluating the methodologies. In fact a meta-model specifies the concepts, rules and relationships used to define methodologies. Although it is possible to describe a methodology without an explicit meta-model, formalising the underpinning ideas of the methodology in question is valuable when checking its consistency or planning extensions or modifications. A good meta-model must address all the different aspects of a methodology, i.e. the process to be followed, the work products to be generated and those responsible for making all this happen. In turn, specifying the work products that must be developed implies dening the basic modelling building blocks from which they are built. As a building block, the agent abstraction alone is not enough to fully model all the aspects related to multi-agent systems in a natural way. In particular, different perspectives exist on the role that environment plays within agent systems: however, it is clear at least that all non-agent elements of a multi-agent system are typically considered to be part of the multi-agent system environment. The key role of environment as a first-class abstraction in the engineering of multi-agent system is today generally acknowledged in the multi-agent system community, so environment should be explicitly accounted for in the engineering of multi-agent system, working as a new design dimension for agent-oriented methodologies. At least two main ingredients shape the environment: environment abstractions - entities of the environment encapsulating some functions -, and topology abstractions - entities of environment that represent the (either logical or physical) spatial structure. In addition, the engineering of non-trivial multi-agent systems requires principles and mechanisms for supporting the management of the system representation complexity. These principles lead to the adoption of a multi-layered description, which could be used by designers to provide different levels of abstraction over multi-agent systems. The research in these fields has lead to the formulation of a new version of the SODA methodology where environment abstractions and layering principles are exploited for en- gineering multi-agent systems.

Engineering Concurrent and Event-driven Web Apps: An Agent-Oriented Approach based on the simpAL Language

Web is constantly evolving, thanks to the 2.0 transition, HTML5 new features and the coming of cloud-computing, the gap between Web and traditional desktop applications is tailing off. Web-apps are more and more widespread and bring several benefits compared to traditional ones. On the other hand reference technologies, JavaScript primarly, are not keeping pace, so a paradim shift is taking place in Web programming, and so many new languages and technologies are coming out. First objective of this thesis is to survey the reference and state-of-art technologies for client-side Web programming focusing in particular on what concerns concurrency and asynchronous programming. Taking into account the problems that affect existing technologies, we finally design simpAL-web, an innovative approach to tackle Web-apps development, based on the Agent-oriented programming abstraction and the simpAL language. == Versione in italiano: Il Web è in continua evoluzione, grazie alla transizione verso il 2.0, alle nuove funzionalità introdotte con HTML5 ed all’avvento del cloud-computing, il divario tra le applicazioni Web e quelle desktop tradizionali va assottigliandosi. Le Web-apps sono sempre più diffuse e presentano diversi vantaggi rispetto a quelle tradizionali. D’altra parte le tecnologie di riferimento, JavaScript in primis, non stanno tenendo il passo, motivo per cui la programmazione Web sta andando incontro ad un cambio di paradigma e nuovi linguaggi e tecnologie stanno spuntando sempre più numerosi. Primo obiettivo di questa tesi è di passare al vaglio le tecnologie di riferimento ed allo stato dell’arte per quel che riguarda la programmmazione Web client-side, porgendo particolare attenzione agli aspetti inerenti la concorrenza e la programmazione asincrona. Considerando i principali problemi di cui soffrono le attuali tecnologie passeremo infine alla progettazione di simpAL-web, un approccio innovativo con cui affrontare lo sviluppo di Web-apps basato sulla programmazione orientata agli Agenti e sul linguaggio simpAL.

Programming Robots with an Agent-Oriented BDI-based Control Architecture: Explorations using the JaCa and Webots Platforms

La crescente disponibilità di dispositivi meccanici e -soprattutto - elettronici le cui performance aumentano mentre il loro costo diminuisce, ha permesso al campo della robotica di compiere notevoli progressi. Tali progressi non sono stati fatti unicamente per ciò che riguarda la robotica per uso industriale, nelle catene di montaggio per esempio, ma anche per quella branca della robotica che comprende i robot autonomi domestici. Questi sistemi autonomi stanno diventando, per i suddetti motivi, sempre più pervasivi, ovvero sono immersi nello stesso ambiente nel quale vivono gli essere umani, e interagiscono con questi in maniera proattiva. Essi stanno compiendo quindi lo stesso percorso che hanno attraversato i personal computer all'incirca 30 anni fa, passando dall'essere costosi ed ingombranti mainframe a disposizione unicamente di enti di ricerca ed università, ad essere presenti all'interno di ogni abitazione, per un utilizzo non solo professionale ma anche di assistenza alle attività quotidiane o anche di intrattenimento. Per questi motivi la robotica è un campo dell'Information Technology che interessa sempre più tutti i tipi di programmatori software. Questa tesi analizza per prima cosa gli aspetti salienti della programmazione di controllori per robot autonomi (ovvero senza essere guidati da un utente), quindi, come l'approccio basato su agenti sia appropriato per la programmazione di questi sistemi. In particolare si mostrerà come un approccio ad agenti, utilizzando il linguaggio di programmazione Jason e quindi l'architettura BDI, sia una scelta significativa, dal momento che il modello sottostante a questo tipo di linguaggio è basato sul ragionamento pratico degli esseri umani (Human Practical Reasoning) e quindi è adatto alla implementazione di sistemi che agiscono in maniera autonoma. Dato che le possibilità di utilizzare un vero e proprio sistema autonomo per poter testare i controllori sono ridotte, per motivi pratici, economici e temporali, mostreremo come è facile e performante arrivare in maniera rapida ad un primo prototipo del robot tramite l'utilizzo del simulatore commerciale Webots. Il contributo portato da questa tesi include la possibilità di poter programmare un robot in maniera modulare e rapida per mezzo di poche linee di codice, in modo tale che l'aumento delle funzionalità di questo risulti un collo di bottiglia, come si verifica nella programmazione di questi sistemi tramite i classici linguaggi di programmazione imperativi. L'organizzazione di questa tesi prevede un capitolo di background nel quale vengono riportare le basi della robotica, della sua programmazione e degli strumenti atti allo scopo, un capitolo che riporta le nozioni di programmazione ad agenti, tramite il linguaggio Jason -quindi l'architettura BDI - e perché tale approccio è adatto alla programmazione di sistemi di controllo per la robotica. Successivamente viene presentata quella che è la struttura completa del nostro ambiente di lavoro software che comprende l'ambiente ad agenti e il simulatore, quindi nel successivo capitolo vengono mostrate quelle che sono le esplorazioni effettuate utilizzando Jason e un approccio classico (per mezzo di linguaggi classici), attraverso diversi casi di studio di crescente complessità; dopodiché, verrà effettuata una valutazione tra i due approcci analizzando i problemi e i vantaggi che comportano questi. Infine, la tesi terminerà con un capitolo di conclusioni e di riflessioni sulle possibili estensioni e lavori futuri.

Modelling and analysis of networked control strategies in smart power distribution grids: development of co-simulation tools

This thesis is focused on Smart Grid applications in medium voltage distribution networks. For the development of new applications it appears useful the availability of simulation tools able to model dynamic behavior of both the power system and the communication network. Such a co-simulation environment would allow the assessment of the feasibility of using a given network technology to support communication-based Smart Grid control schemes on an existing segment of the electrical grid and to determine the range of control schemes that different communications technologies can support. For this reason, is presented a co-simulation platform that has been built by linking the Electromagnetic Transients Program Simulator (EMTP v3.0) with a Telecommunication Network Simulator (OPNET-Riverbed v18.0). The simulator is used to design and analyze a coordinate use of Distributed Energy Resources (DERs) for the voltage/var control (VVC) in distribution network. This thesis is focused control structure based on the use of phase measurement units (PMUs). In order to limit the required reinforcements of the communication infrastructures currently adopted by Distribution Network Operators (DNOs), the study is focused on leader-less MAS schemes that do not assign special coordinating rules to specific agents. Leader-less MAS are expected to produce more uniform communication traffic than centralized approaches that include a moderator agent. Moreover, leader-less MAS are expected to be less affected by limitations and constraint of some communication links. The developed co-simulator has allowed the definition of specific countermeasures against the limitations of the communication network, with particular reference to the latency and loss and information, for both the case of wired and wireless communication networks. Moreover, the co-simulation platform has bee also coupled with a mobility simulator in order to study specific countermeasures against the negative effects on the medium voltage/current distribution network caused by the concurrent connection of electric vehicles.

Modelling, simulation and optimization of maintenance considerations on condition based maintenance

Globalization has increased the pressure on organizations and companies to operate in the most efficient and economic way. This tendency promotes that companies concentrate more and more on their core businesses, outsource less profitable departments and services to reduce costs. By contrast to earlier times, companies are highly specialized and have a low real net output ratio. For being able to provide the consumers with the right products, those companies have to collaborate with other suppliers and form large supply chains. An effect of large supply chains is the deficiency of high stocks and stockholding costs. This fact has lead to the rapid spread of Just-in-Time logistic concepts aimed minimizing stock by simultaneous high availability of products. Those concurring goals, minimizing stock by simultaneous high product availability, claim for high availability of the production systems in the way that an incoming order can immediately processed. Besides of design aspects and the quality of the production system, maintenance has a strong impact on production system availability. In the last decades, there has been many attempts to create maintenance models for availability optimization. Most of them concentrated on the availability aspect only without incorporating further aspects as logistics and profitability of the overall system. However, production system operator’s main intention is to optimize the profitability of the production system and not the availability of the production system. Thus, classic models, limited to represent and optimize maintenance strategies under the light of availability, fail. A novel approach, incorporating all financial impacting processes of and around a production system, is needed. The proposed model is subdivided into three parts, maintenance module, production module and connection module. This subdivision provides easy maintainability and simple extendability. Within those modules, all aspect of production process are modeled. Main part of the work lies in the extended maintenance and failure module that offers a representation of different maintenance strategies but also incorporates the effect of over-maintaining and failed maintenance (maintenance induced failures). Order release and seizing of the production system are modeled in the production part. Due to computational power limitation, it was not possible to run the simulation and the optimization with the fully developed production model. Thus, the production model was reduced to a black-box without higher degree of details.

Development of a model-based transient calibration process for diesel engine electronic control module tables – Part 2: modelling and optimization

This is the second part of a study investigating a model-based transient calibration process for diesel engines. The first part addressed the data requirements and data processing required for empirical transient emission and torque models. The current work focuses on modelling and optimization. The unexpected result of this investigation is that when trained on transient data, simple regression models perform better than more powerful methods such as neural networks or localized regression. This result has been attributed to extrapolation over data that have estimated rather than measured transient air-handling parameters. The challenges of detecting and preventing extrapolation using statistical methods that work well with steady-state data have been explained. The concept of constraining the distribution of statistical leverage relative to the distribution of the starting solution to prevent extrapolation during the optimization process has been proposed and demonstrated. Separate from the issue of extrapolation is preventing the search from being quasi-static. Second-order linear dynamic constraint models have been proposed to prevent the search from returning solutions that are feasible if each point were run at steady state, but which are unrealistic in a transient sense. Dynamic constraint models translate commanded parameters to actually achieved parameters that then feed into the transient emission and torque models. Combined model inaccuracies have been used to adjust the optimized solutions. To frame the optimization problem within reasonable dimensionality, the coefficients of commanded surfaces that approximate engine tables are adjusted during search iterations, each of which involves simulating the entire transient cycle. The resulting strategy, different from the corresponding manual calibration strategy and resulting in lower emissions and efficiency, is intended to improve rather than replace the manual calibration process.

Tracing of patients lost to follow-up and HIV transmission: Mathematical modelling study based on two large ART programmes in Malawi

OBJECTIVES: Treatment as prevention depends on retaining HIV-infected patients in care. We investigated the effect on HIV transmission of bringing patients lost to follow up (LTFU) back into care. DESIGN: Mathematical model. METHODS: Stochastic mathematical model of cohorts of 1000 HIV-infected patients on antiretroviral therapy (ART), based on data from two clinics in Lilongwe, Malawi. We calculated cohort viral load (CVL; sum of individual mean viral loads each year) and used a mathematical relationship between viral load and transmission probability to estimate the number of new HIV infections. We simulated four scenarios: 'no LTFU' (all patients stay in care); 'no tracing' (patients LTFU are not traced); 'immediate tracing' (after missed clinic appointment); and, 'delayed tracing' (after six months). RESULTS: About 440 of 1000 patients were LTFU over five years. CVL (million copies/ml per 1000 patients) were 3.7 (95% prediction interval [PrI] 2.9-4.9) for no LTFU, 8.6 (95% PrI 7.3-10.0) for no tracing, 7.7 (95% PrI 6.2-9.1) for immediate, and 8.0 (95% PrI 6.7-9.5) for delayed tracing. Comparing no LTFU with no tracing the number of new infections increased from 33 (95% PrI 29-38) to 54 (95% PrI 47-60) per 1000 patients. Immediate tracing prevented 3.6 (95% PrI -3.3-12.8) and delayed tracing 2.5 (95% PrI -5.8-11.1) new infections per 1000. Immediate tracing was more efficient than delayed tracing: 116 and to 142 tracing efforts, respectively, were needed to prevent one new infection. CONCLUSION: Tracing of patients LTFU enhances the preventive effect of ART, but the number of transmissions prevented is small.

Pollen-based quantitative reconstructions of Holocene regional vegetation cover (plant-functional types and land-cover types) in Europe suitable for climate modelling

We present quantitative reconstructions of regional vegetation cover in north-western Europe, western Europe north of the Alps, and eastern Europe for five time windows in the Holocene around 6k, 3k, 0.5k, 0.2k, and 0.05k calendar years before present (bp)] at a 1 degrees x1 degrees spatial scale with the objective of producing vegetation descriptions suitable for climate modelling. The REVEALS model was applied on 636 pollen records from lakes and bogs to reconstruct the past cover of 25 plant taxa grouped into 10 plant-functional types and three land-cover types evergreen trees, summer-green (deciduous) trees, and open land]. The model corrects for some of the biases in pollen percentages by using pollen productivity estimates and fall speeds of pollen, and by applying simple but robust models of pollen dispersal and deposition. The emerging patterns of tree migration and deforestation between 6k bp and modern time in the REVEALS estimates agree with our general understanding of the vegetation history of Europe based on pollen percentages. However, the degree of anthropogenic deforestation (i.e. cover of cultivated and grazing land) at 3k, 0.5k, and 0.2k bp is significantly higher than deduced from pollen percentages. This is also the case at 6k in some parts of Europe, in particular Britain and Ireland. Furthermore, the relationship between summer-green and evergreen trees, and between individual tree taxa, differs significantly when expressed as pollen percentages or as REVEALS estimates of tree cover. For instance, when Pinus is dominant over Picea as pollen percentages, Picea is dominant over Pinus as REVEALS estimates. These differences play a major role in the reconstruction of European landscapes and for the study of land cover-climate interactions, biodiversity and human resources.

Invited Abstract: Issues with State-based Energy Consumption Modelling

Energy consumption modelling by state based approaches often assume constant energy consumption values in each state. However, it happens in certain situations that during state transitions or even during a state the energy consumption is not constant and does fluctuate. This paper discusses those issues by presenting some examples from wireless sensor and wireless local area networks for such cases and possible solutions.

Knowledge-Based Task Structure Planning for an Information Gathering Agent

An effective solution to model and apply planning domain knowledge for deliberation and action in probabilistic, agent-oriented control is presented. Specifically, the addition of a task structure planning component and supporting components to an agent-oriented architecture and agent implementation is described. For agent control in risky or uncertain environments, an approach and method of goal reduction to task plan sets and schedules of action is presented. Additionally, some issues related to component-wise, situation-dependent control of a task planning agent that schedules its tasks separately from planning them are motivated and discussed.