Arquitectura, técnicas y modelos para posibilitar la Ciencia de Datos en el Archivo de la Misión Gaia

Tesis inédita de la Universidad Complutense de Madrid, Facultad de Informática, Departamento de Arquitectura de Computadores y Automática, leída el 26/05/2017.The massive amounts of data that the world produces every day pose new challenges to modern societies in terms of how to leverage their inherent value. Social networks, instant messaging, video, smart devices and scientific missions are just mere examples of the vast number of sources generating data every second. As the world becomes more and more digitalized, new needs arise for organizing, archiving, sharing, analyzing, visualizing and protecting the ever-increasing data sets, so that we can truly develop into a data-driven economy that reduces inefficiencies and increases sustainability, creating new business opportunities on the way. Traditional approaches for harnessing data are not suitable any more as they lack the means for scaling to the larger volumes in a timely and cost efficient manner. This has somehow changed with the advent of Internet companies like Google and Facebook, which have devised new ways of tackling this issue. However, the variety and complexity of the value chains in the private sector as well as the increasing demands and constraints in which the public one operates, needs an ongoing research that can yield newer strategies for dealing with data, facilitate the integration of providers and consumers of information, and guarantee a smooth and prompt transition when adopting these cutting-edge technological advances. This thesis aims at providing novel architectures and techniques that will help perform this transition towards Big Data in massive scientific archives. It highlights the common pitfalls that must be faced when embracing it and how to overcome them, especially when the data sets, their transformation pipelines and the tools used for the analysis are already present in the organizations. Furthermore, a new perspective for facilitating a smoother transition is laid out. It involves the usage of higher-level and use case specific frameworks and models, which will naturally bridge the gap between the technological and scientific domains. This alternative will effectively widen the possibilities of scientific archives and therefore will contribute to the reduction of the time to science. The research will be applied to the European Space Agency cornerstone mission Gaia, whose final data archive will represent a tremendous discovery potential. It will create the largest and most precise three dimensional chart of our galaxy (the Milky Way), providing unprecedented position, parallax and proper motion measurements for about one billion stars. The successful exploitation of this data archive will depend to a large degree on the ability to offer the proper architecture, i.e. infrastructure and middleware, upon which scientists will be able to do exploration and modeling with this huge data set. In consequence, the approach taken needs to enable data fusion with other scientific archives, as this will produce the synergies leading to an increment in scientific outcome, both in volume and in quality. The set of novel techniques and frameworks presented in this work addresses these issues by contextualizing them with the data products that will be generated in the Gaia mission. All these considerations have led to the foundations of the architecture that will be leveraged by the Science Enabling Applications Work Package. Last but not least, the effectiveness of the proposed solution will be demonstrated through the implementation of some ambitious statistical problems that will require significant computational capabilities, and which will use Gaia-like simulated data (the first Gaia data release has recently taken place on September 14th, 2016). These ambitious problems will be referred to as the Grand Challenge, a somewhat grandiloquent name that consists in inferring a set of parameters from a probabilistic point of view for the Initial Mass Function (IMF) and Star Formation Rate (SFR) of a given set of stars (with a huge sample size), from noisy estimates of their masses and ages respectively. This will be achieved by using Hierarchical Bayesian Modeling (HBM). In principle, the HBM can incorporate stellar evolution models to infer the IMF and SFR directly, but in this first step presented in this thesis, we will start with a somewhat less ambitious goal: inferring the PDMF and PDAD. Moreover, the performance and scalability analyses carried out will also prove the suitability of the models for the large amounts of data that will be available in the Gaia data archive.Las grandes cantidades de datos que se producen en el mundo diariamente plantean nuevos retos a la sociedad en términos de cómo extraer su valor inherente. Las redes sociales, mensajería instantánea, los dispositivos inteligentes y las misiones científicas son meros ejemplos del gran número de fuentes generando datos en cada momento. Al mismo tiempo que el mundo se digitaliza cada vez más, aparecen nuevas necesidades para organizar, archivar, compartir, analizar, visualizar y proteger la creciente cantidad de datos, para que podamos desarrollar economías basadas en datos e información que sean capaces de reducir las ineficiencias e incrementar la sostenibilidad, creando nuevas oportunidades de negocio por el camino. La forma en la que se han manejado los datos tradicionalmente no es la adecuada hoy en día, ya que carece de los medios para escalar a los volúmenes más grandes de datos de una forma oportuna y eficiente. Esto ha cambiado de alguna manera con la llegada de compañías que operan en Internet como Google o Facebook, ya que han concebido nuevas aproximaciones para abordar el problema. Sin embargo, la variedad y complejidad de las cadenas de valor en el sector privado y las crecientes demandas y limitaciones en las que el sector público opera, necesitan una investigación continua en la materia que pueda proporcionar nuevas estrategias para procesar las enormes cantidades de datos, facilitar la integración de productores y consumidores de información, y garantizar una transición rápida y fluida a la hora de adoptar estos avances tecnológicos innovadores. Esta tesis tiene como objetivo proporcionar nuevas arquitecturas y técnicas que ayudarán a realizar esta transición hacia Big Data en archivos científicos masivos. La investigación destaca los escollos principales a encarar cuando se adoptan estas nuevas tecnologías y cómo afrontarlos, principalmente cuando los datos y las herramientas de transformación utilizadas en el análisis existen en la organización. Además, se exponen nuevas medidas para facilitar una transición más fluida. Éstas incluyen la utilización de software de alto nivel y específico al caso de uso en cuestión, que haga de puente entre el dominio científico y tecnológico. Esta alternativa ampliará de una forma efectiva las posibilidades de los archivos científicos y por tanto contribuirá a la reducción del tiempo necesario para generar resultados científicos a partir de los datos recogidos en las misiones de astronomía espacial y planetaria. La investigación se aplicará a la misión de la Agencia Espacial Europea (ESA) Gaia, cuyo archivo final de datos presentará un gran potencial para el descubrimiento y hallazgo desde el punto de vista científico. La misión creará el catálogo en tres dimensiones más grande y preciso de nuestra galaxia (la Vía Láctea), proporcionando medidas sin precedente acerca del posicionamiento, paralaje y movimiento propio de alrededor de mil millones de estrellas. Las oportunidades para la explotación exitosa de este archivo de datos dependerán en gran medida de la capacidad de ofrecer la arquitectura adecuada, es decir infraestructura y servicios, sobre la cual los científicos puedan realizar la exploración y modelado con esta inmensa cantidad de datos. Por tanto, la estrategia a realizar debe ser capaz de combinar los datos con otros archivos científicos, ya que esto producirá sinergias que contribuirán a un incremento en la ciencia producida, tanto en volumen como en calidad de la misma. El conjunto de técnicas e infraestructuras innovadoras presentadas en este trabajo aborda estos problemas, contextualizándolos con los productos de datos que se generarán en la misión Gaia. Todas estas consideraciones han conducido a los fundamentos de la arquitectura que se utilizará en el paquete de trabajo de aplicaciones que posibilitarán la ciencia en el archivo de la misión Gaia (Science Enabling Applications). Por último, la eficacia de la solución propuesta se demostrará a través de la implementación de dos problemas estadísticos que requerirán cantidades significativas de cómputo, y que usarán datos simulados en el mismo formato en el que se producirán en el archivo de la misión Gaia (la primera versión de datos recogidos por la misión está disponible desde el día 14 de Septiembre de 2016). Estos ambiciosos problemas representan el Gran Reto (Grand Challenge), un nombre grandilocuente que consiste en inferir una serie de parámetros desde un punto de vista probabilístico para la función de masa inicial (Initial Mass Function) y la tasa de formación estelar (Star Formation Rate) dado un conjunto de estrellas (con una muestra grande), desde estimaciones con ruido de sus masas y edades respectivamente. Esto se abordará utilizando modelos jerárquicos bayesianos (Hierarchical Bayesian Modeling). Enprincipio,losmodelospropuestos pueden incorporar otros modelos de evolución estelar para inferir directamente la función de masa inicial y la tasa de formación estelar, pero en este primer paso presentado en esta tesis, empezaremos con un objetivo algo menos ambicioso: la inferencia de la función de masa y distribución de edades actual (Present-Day Mass Function y Present-Day Age Distribution respectivamente). Además, se llevará a cabo el análisis de rendimiento y escalabilidad para probar la idoneidad de la implementación de dichos modelos dadas las enormes cantidades de datos que estarán disponibles en el archivo de la misión Gaia...Depto. de Arquitectura de Computadores y AutomáticaFac. de InformáticaTRUEunpu

Towards Collaborative Scientific Workflow Management System

The big data explosion phenomenon has impacted several domains, starting from research areas to divergent of business models in recent years. As this intensive amount of data opens up the possibilities of several interesting knowledge discoveries, over the past few years divergent of research domains have undergone the shift of trend towards analyzing those massive amount data. Scientific Workflow Management System (SWfMS) has gained much popularity in recent years in accelerating those data-intensive analyses, visualization, and discoveries of important information. Data-intensive tasks are often significantly time-consuming and complex in nature and hence SWfMSs are designed to efficiently support the specification, modification, execution, failure handling, and monitoring of the tasks in a scientific workflow. As far as the complexity, dimension, and volume of data are concerned, their effective analysis or management often become challenging for an individual and requires collaboration of multiple scientists instead. Hence, the notion of 'Collaborative SWfMS' was coined - which gained significant interest among researchers in recent years as none of the existing SWfMSs directly support real-time collaboration among scientists. In terms of collaborative SWfMSs, consistency management in the face of conflicting concurrent operations of the collaborators is a major challenge for its highly interconnected document structure among the computational modules - where any minor change in a part of the workflow can highly impact the other part of the collaborative workflow for the datalink relation among them. In addition to the consistency management, studies show several other challenges that need to be addressed towards a successful design of collaborative SWfMSs, such as sub-workflow composition and execution by different sub-groups, relationship between scientific workflows and collaboration models, sub-workflow monitoring, seamless integration and access control of the workflow components among collaborators and so on. In this thesis, we propose a locking scheme to facilitate consistency management in collaborative SWfMSs. The proposed method works by locking workflow components at a granular attribute level in addition to supporting locks on a targeted part of the collaborative workflow. We conducted several experiments to analyze the performance of the proposed method in comparison to related existing methods. Our studies show that the proposed method can reduce the average waiting time of a collaborator by up to 36% while increasing the average workflow update rate by up to 15% in comparison to existing descendent modular level locking techniques for collaborative SWfMSs. We also propose a role-based access control technique for the management of collaborative SWfMSs. We leverage the Collaborative Interactive Application Methodology (CIAM) for the investigation of role-based access control in the context of collaborative SWfMSs. We present our proposed method with a use-case of Plant Phenotyping and Genotyping research domain. Recent study shows that the collaborative SWfMSs often different sets of opportunities and challenges. From our investigations on existing research works towards collaborative SWfMSs and findings of our prior two studies, we propose an architecture of collaborative SWfMSs. We propose - SciWorCS - a Collaborative Scientific Workflow Management System as a proof of concept of the proposed architecture; which is the first of its kind to the best of our knowledge. We present several real-world use-cases of scientific workflows using SciWorCS. Finally, we conduct several user studies using SciWorCS comprising different real-world scientific workflows (i.e., from myExperiment) to understand the user behavior and styles of work in the context of collaborative SWfMSs. In addition to evaluating SciWorCS, the user studies reveal several interesting facts which can significantly contribute in the research domain, as none of the existing methods considered such empirical studies, and rather relied only on computer generated simulated studies for evaluation

On the construction of decentralised service-oriented orchestration systems

Modern science relies on workflow technology to capture, process, and analyse data obtained from scientific instruments. Scientific workflows are precise descriptions of experiments in which multiple computational tasks are coordinated based on the dataflows between them. Orchestrating scientific workflows presents a significant research challenge: they are typically executed in a manner such that all data pass through a centralised computer server known as the engine, which causes unnecessary network traffic that leads to a performance bottleneck. These workflows are commonly composed of services that perform computation over geographically distributed resources, and involve the management of dataflows between them. Centralised orchestration is clearly not a scalable approach for coordinating services dispersed across distant geographical locations. This thesis presents a scalable decentralised service-oriented orchestration system that relies on a high-level data coordination language for the specification and execution of workflows. This system’s architecture consists of distributed engines, each of which is responsible for executing part of the overall workflow. It exploits parallelism in the workflow by decomposing it into smaller sub-workflows, and determines the most appropriate engines to execute them using computation placement analysis. This permits the workflow logic to be distributed closer to the services providing the data for execution, which reduces the overall data transfer in the workflow and improves its execution time. This thesis provides an evaluation of the presented system which concludes that decentralised orchestration provides scalability benefits over centralised orchestration, and improves the overall performance of executing a service-oriented workflow