57 research outputs found

    Data driven discovery of materials properties.

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    The high pace of nowadays industrial evolution is creating an urgent need to design new cost efficient materials that can satisfy both current and future demands. However, with the increase of structural and functional complexity of materials, the ability to rationally design new materials with a precise set of properties has become increasingly challenging. This basic observation has triggered the idea of applying machine learning techniques in the field, which was further encouraged by the launch of the Materials Genome Initiative (MGI) by the US government since 2011. In this work, we present a novel approach to apply machine learning techniques for materials science applications. Guided by knowledge from domain experts, our approach focuses on machine learning to accelerate data-driven discovery of materials properties. Our objectives are two folds: (i) Identify the optimal set of features that best describes a given predicted variable. (ii) Boost prediction accuracy via applying various regression algorithms. Ordinary Least Square, Partial Least Square and Lasso regressions, combined with well adjusted feature selection techniques are applied and tested to predict key properties of semiconductors for two types of applications. First, we propose to build a more robust prediction model for band-gap energy (BG-E) of chalcopyrites, commonly used for solar cells industry. Compared to the results reported in [1-3] , our approach shows that learning and using only a subset of relevant features can improve the prediction accuracy by about 40%. For the second application, we propose to determine the underlying factors responsible for Defect-Induced Magnetism (DIM) in Dilute Magnetic Semiconductors (DMS) through the analysis of a set of 30 features for different DMS systems. We show that 8 of these features are more likely to contribute to this property. Using only these features to predict the total magnetic moment of new candidate DMSs has reduced the mean square error by about 90% compared to the models trained using the whole set of features. Given the scarcity of the available data sets for similar applications, this work aims not only to build robust models but also to establish a collaborative platform for future research

    On the use of context information for an improved application of data-based algorithms in condition monitoring

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    xi, 124 p.En el campo de la monitorización de la condición, los algoritmos basados en datos cuentan con un amplio recorrido. Desde el uso de los gráficos de control de calidad que se llevan empleando durante casi un siglo a técnicas de mayor complejidad como las redes neuronales o máquinas de soporte vectorial que se emplean para detección, diagnóstico y estimación de vida remanente de los equipos. Sin embargo, la puesta en producción de los algoritmos de monitorización requiere de un estudio exhaustivo de un factor que es a menudo obviado por otros trabajos de la literatura: el contexto. El contexto, que en este trabajo es considerado como el conjunto de factores que influencian la monitorización de un bien, tiene un gran impacto en la algoritmia de monitorización y su aplicación final. Por este motivo, es el objeto de estudio de esta tesis en la que se han analizado tres casos de uso. Se ha profundizado en sus respectivos contextos, tratando de generalizar a la problemática habitual en la monitorización de maquinaria industrial, y se ha abordado dicha problemática de monitorización de forma que solucionen el contexto en lugar de cada caso de uso. Así, el conocimiento adquirido durante el desarrollo de las soluciones puede ser transferido a otros casos de uso que cuenten con contextos similares

    On the use of context information for an improved application of data-based algorithms in condition monitoring

    Get PDF
    xi, 124 p.En el campo de la monitorización de la condición, los algoritmos basados en datos cuentan con un amplio recorrido. Desde el uso de los gráficos de control de calidad que se llevan empleando durante casi un siglo a técnicas de mayor complejidad como las redes neuronales o máquinas de soporte vectorial que se emplean para detección, diagnóstico y estimación de vida remanente de los equipos. Sin embargo, la puesta en producción de los algoritmos de monitorización requiere de un estudio exhaustivo de un factor que es a menudo obviado por otros trabajos de la literatura: el contexto. El contexto, que en este trabajo es considerado como el conjunto de factores que influencian la monitorización de un bien, tiene un gran impacto en la algoritmia de monitorización y su aplicación final. Por este motivo, es el objeto de estudio de esta tesis en la que se han analizado tres casos de uso. Se ha profundizado en sus respectivos contextos, tratando de generalizar a la problemática habitual en la monitorización de maquinaria industrial, y se ha abordado dicha problemática de monitorización de forma que solucionen el contexto en lugar de cada caso de uso. Así, el conocimiento adquirido durante el desarrollo de las soluciones puede ser transferido a otros casos de uso que cuenten con contextos similares

    A new knowledge sourcing framework to support knowledge-based engineering development

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    New trends in Knowledge-Based Engineering (KBE) highlight the need for decoupling the automation aspect from the knowledge management side of KBE. In this direction, some authors argue that KBE is capable of effectively capturing, retaining and reusing engineering knowledge. However, there are some limitations associated with some aspects of KBE that present a barrier to deliver the knowledge sourcing process requested by the industry. To overcome some of these limitations this research proposes a new methodology for efficient knowledge capture and effective management of the complete knowledge life cycle. Current knowledge capture procedures represent one of the main constraints limiting the wide use of KBE in the industry. This is due to the extraction of knowledge from experts in high cost knowledge capture sessions. To reduce the amount of time required from experts to extract relevant knowledge, this research uses Artificial Intelligence (AI) techniques capable of generating new knowledge from company assets. Moreover the research reported here proposes the integration of AI methods and experts increasing as a result the accuracy of the predictions and the reliability of using advanced reasoning tools. The proposed knowledge sourcing framework integrates two features: (i) use of advanced data mining tools and expert knowledge to create new knowledge from raw data, (ii) adoption of a well-established and reliable methodology to systematically capture, transfer and reuse engineering knowledge. The methodology proposed in this research is validated through the development and implementation of two case studies aiming at the optimisation of wing design concepts. The results obtained in both use cases proved the extended KBE capability for fast and effective knowledge sourcing. This evidence was provided by the experts working in the development of each of the case studies through the implementation of structured quantitative and qualitative analyses

    New Fundamental Technologies in Data Mining

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    The progress of data mining technology and large public popularity establish a need for a comprehensive text on the subject. The series of books entitled by "Data Mining" address the need by presenting in-depth description of novel mining algorithms and many useful applications. In addition to understanding each section deeply, the two books present useful hints and strategies to solving problems in the following chapters. The contributing authors have highlighted many future research directions that will foster multi-disciplinary collaborations and hence will lead to significant development in the field of data mining
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