5,451 research outputs found

    LoopIng: A template-based tool for predicting the structure of protein loops

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    MOTIVATION: Predicting the structure of protein loops is very challenging, mainly because they are not necessarily subject to strong evolutionary pressure. This implies that, unlike the rest of the protein, standard homology modeling techniques are not very effective in modeling their structure. However, loops are often involved in protein function, hence inferring their structure is important for predicting protein structure as well as function. RESULTS: We describe a method, LoopIng, based on the Random Forest automated learning technique, which, given a target loop, selects a structural template for it from a database of loop candidates. Compared to the most recently available methods, LoopIng is able to achieve similar accuracy for short loops (4-10 residues) and significant enhancements for long loops (11-20 residues). The quality of the predictions is robust to errors that unavoidably affect the stem regions when these are modeled. The method returns a confidence score for the predicted template loops and has the advantage of being very fast (on average: 1 min/loop)

    Availability modeling and evaluation on high performance cluster computing systems

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    Cluster computing has been attracting more and more attention from both the industrial and the academic world for its enormous computing power, cost effective, and scalability. Beowulf type cluster, for example, is a typical High Performance Computing (HPC) cluster system. Availability, as a key attribute of the system, needs to be considered at the system design stage and monitored at mission time. Moreover, system monitoring is a must to help identify the defects and ensure the system\u27s availability requirement. In this study, novel solutions which provide availability modeling, model evaluation, and data analysis as a single framework have been investigated. Three key components in the investigation are availability modeling, model evaluation, and data analysis. The general availability concepts and modeling techniques are briefly reviewed. The system\u27s availability model is divided into submodels based upon their functionalities. Furthermore, an object oriented Markov model specification to facilitate availability modeling and runtime configuration has been developed. Numerical solutions for Markov models are examined, especially on the uniformization method. Alternative implementations of the method are discussed; particularly on analyzing the cost of an alternative solution for small state space model, and different ways for solving large sparse Markov models. The dissertation also presents a monitoring and data analysis framework, which is responsible for failure analysis and availability reconfiguration. In addition, the event logs provided from the Lawrence Livermore National Laboratory have been studied and applied to validate the proposed techniques

    Reliability -aware optimal checkpoint /restart model in high performance computing

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    Computational power demand for large challenging problems has increasingly driven the physical size of High Performance Computing (HPC) systems. As the system gets larger, it requires more and more components (processor, memory, disk, switch, power supply and so on). Thus, challenges arise in handling reliability of such large-scale systems. In order to minimize the performance loss due to unexpected failures, fault tolerant mechanisms are vital to sustain computational power in such environment. Checkpoint/restart is a common fault tolerant technique which has been widely applied in the single computer system. However, checkpointing in a large-scale HPC environment is much more challenging due to complexity, coordination, and timing issues. In this dissertation, we present a reliability-aware method for an optimal checkpoint/restart strategy. Our scheme aims to address the fault tolerance challenge, especially in a large-scale HPC system, by providing optimal checkpoint placement techniques derived from the actual system reliability. Unlike existing checkpoint models, which can only handle Poisson failure and a constant checkpoint interval, our model can perform a varying checkpoint interval and deal with different failure distributions. In addition, the approach considers optimality for both checkpoint overhead and rollback time. Our validation results suggest a significant improvement over existing techniques

    Processing of Electronic Health Records using Deep Learning: A review

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    Availability of large amount of clinical data is opening up new research avenues in a number of fields. An exciting field in this respect is healthcare, where secondary use of healthcare data is beginning to revolutionize healthcare. Except for availability of Big Data, both medical data from healthcare institutions (such as EMR data) and data generated from health and wellbeing devices (such as personal trackers), a significant contribution to this trend is also being made by recent advances on machine learning, specifically deep learning algorithms

    Cross-lingual Word Clusters for Direct Transfer of Linguistic Structure

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    It has been established that incorporating word cluster features derived from large unlabeled corpora can significantly improve prediction of linguistic structure. While previous work has focused primarily on English, we extend these results to other languages along two dimensions. First, we show that these results hold true for a number of languages across families. Second, and more interestingly, we provide an algorithm for inducing cross-lingual clusters and we show that features derived from these clusters significantly improve the accuracy of cross-lingual structure prediction. Specifically, we show that by augmenting direct-transfer systems with cross-lingual cluster features, the relative error of delexicalized dependency parsers, trained on English treebanks and transferred to foreign languages, can be reduced by up to 13%. When applying the same method to direct transfer of named-entity recognizers, we observe relative improvements of up to 26%

    Spatial Optimization Methods for Malaria Risk Mapping in Sub-Saharan African Cities Using Demographic and Health Surveys

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    Vector-borne diseases, such as malaria, are affected by the rapid urban growth and climate change in sub-Saharan Africa (SSA). In this context, intra-urban malaria risk maps act as a key decision-making tool for targeting malaria control interventions, especially in resource-limited settings. The Demographic and Health Surveys (DHS) provide a consistent malaria data source for mapping malaria risk at the national scale, but their use is limited at the intra-urban scale because survey cluster coordinates are randomly displaced for ethical reasons. In this research, we focus on predicting intra-urban malaria risk in SSA cities-Dakar, Dar es Salaam, Kampala and Ouagadougou-and investigate the use of spatial optimization methods to overcome the effect of DHS spatial displacement. We modeled malaria risk using a random forest regressor and remotely sensed covariates depicting the urban climate, the land cover and the land use, and we tested several spatial optimization approaches. The use of spatial optimization mitigated the effects of DHS spatial displacement on predictive performance. However, this comes at a higher computational cost, and the percentage of variance explained in our models remained low (around 30%-40%), which suggests that these methods cannot entirely overcome the limited quality of epidemiological data. Building on our results, we highlight potential adaptations to the DHS sampling strategy that would make them more reliable for predicting malaria risk at the intra-urban scale

    Serverless Computing Strategies on Cloud Platforms

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    [ES] Con el desarrollo de la Computación en la Nube, la entrega de recursos virtualizados a través de Internet ha crecido enormemente en los últimos años. Las Funciones como servicio (FaaS), uno de los modelos de servicio más nuevos dentro de la Computación en la Nube, permite el desarrollo e implementación de aplicaciones basadas en eventos que cubren servicios administrados en Nubes públicas y locales. Los proveedores públicos de Computación en la Nube adoptan el modelo FaaS dentro de su catálogo para proporcionar computación basada en eventos altamente escalable para las aplicaciones. Por un lado, los desarrolladores especializados en esta tecnología se centran en crear marcos de código abierto serverless para evitar el bloqueo con los proveedores de la Nube pública. A pesar del desarrollo logrado por la informática serverless, actualmente hay campos relacionados con el procesamiento de datos y la optimización del rendimiento en la ejecución en los que no se ha explorado todo el potencial. En esta tesis doctoral se definen tres estrategias de computación serverless que permiten evidenciar los beneficios de esta tecnología para el procesamiento de datos. Las estrategias implementadas permiten el análisis de datos con la integración de dispositivos de aceleración para la ejecución eficiente de aplicaciones científicas en plataformas cloud públicas y locales. En primer lugar, se desarrolló la plataforma CloudTrail-Tracker. CloudTrail-Tracker es una plataforma serverless de código abierto basada en eventos para el procesamiento de datos que puede escalar automáticamente hacia arriba y hacia abajo, con la capacidad de escalar a cero para minimizar los costos operativos. Seguidamente, se plantea la integración de GPUs en una plataforma serverless local impulsada por eventos para el procesamiento de datos escalables. La plataforma admite la ejecución de aplicaciones como funciones severless en respuesta a la carga de un archivo en un sistema de almacenamiento de ficheros, lo que permite la ejecución en paralelo de las aplicaciones según los recursos disponibles. Este procesamiento es administrado por un cluster Kubernetes elástico que crece y decrece automáticamente según las necesidades de procesamiento. Ciertos enfoques basados en tecnologías de virtualización de GPU como rCUDA y NVIDIA-Docker se evalúan para acelerar el tiempo de ejecución de las funciones. Finalmente, se implementa otra solución basada en el modelo serverless para ejecutar la fase de inferencia de modelos de aprendizaje automático previamente entrenados, en la plataforma de Amazon Web Services y en una plataforma privada con el framework OSCAR. El sistema crece elásticamente de acuerdo con la demanda y presenta una escalado a cero para minimizar los costes. Por otra parte, el front-end proporciona al usuario una experiencia simplificada en la obtención de la predicción de modelos de aprendizaje automático. Para demostrar las funcionalidades y ventajas de las soluciones propuestas durante esta tesis se recogen varios casos de estudio que abarcan diferentes campos del conocimiento como la analítica de aprendizaje y la Inteligencia Artificial. Esto demuestra que la gama de aplicaciones donde la computación serverless puede aportar grandes beneficios es muy amplia. Los resultados obtenidos avalan el uso del modelo serverless en la simplificación del diseño de arquitecturas para el uso intensivo de datos en aplicaciones complejas.[CA] Amb el desenvolupament de la Computació en el Núvol, el lliurament de recursos virtualitzats a través d'Internet ha crescut granment en els últims anys. Les Funcions com a Servei (FaaS), un dels models de servei més nous dins de la Computació en el Núvol, permet el desenvolupament i implementació d'aplicacions basades en esdeveniments que cobreixen serveis administrats en Núvols públics i locals. Els proveïdors de computació en el Núvol públic adopten el model FaaS dins del seu catàleg per a proporcionar a les aplicacions computació altament escalable basada en esdeveniments. D'una banda, els desenvolupadors especialitzats en aquesta tecnologia se centren en crear marcs de codi obert serverless per a evitar el bloqueig amb els proveïdors del Núvol públic. Malgrat el desenvolupament alcançat per la informàtica serverless, actualment hi ha camps relacionats amb el processament de dades i l'optimització del rendiment d'execució en els quals no s'ha explorat tot el potencial. En aquesta tesi doctoral es defineixen tres estratègies informàtiques serverless que permeten demostrar els beneficis d'aquesta tecnologia per al processament de dades. Les estratègies implementades permeten l'anàlisi de dades amb a integració de dispositius accelerats per a l'execució eficient d'aplicacion scientífiques en plataformes de Núvol públiques i locals. En primer lloc, es va desenvolupar la plataforma CloudTrail-Tracker. CloudTrail-Tracker és una plataforma de codi obert basada en esdeveniments per al processament de dades serverless que pot escalar automáticament cap amunt i cap avall, amb la capacitat d'escalar a zero per a minimitzar els costos operatius. A continuació es planteja la integració de GPUs en una plataforma serverless local impulsada per esdeveniments per al processament de dades escalables. La plataforma admet l'execució d'aplicacions com funcions severless en resposta a la càrrega d'un arxiu en un sistema d'emmagatzemaments de fitxers, la qual cosa permet l'execució en paral·lel de les aplicacions segon sels recursos disponibles. Este processament és administrat per un cluster Kubernetes elàstic que creix i decreix automàticament segons les necessitats de processament. Certs enfocaments basats en tecnologies de virtualització de GPU com rCUDA i NVIDIA-Docker s'avaluen per a accelerar el temps d'execució de les funcions. Finalment s'implementa una altra solució basada en el model serverless per a executar la fase d'inferència de models d'aprenentatge automàtic prèviament entrenats en la plataforma de Amazon Web Services i en una plataforma privada amb el framework OSCAR. El sistema creix elàsticament d'acord amb la demanda i presenta una escalada a zero per a minimitzar els costos. D'altra banda el front-end proporciona a l'usuari una experiència simplificada en l'obtenció de la predicció de models d'aprenentatge automàtic. Per a demostrar les funcionalitats i avantatges de les solucions proposades durant esta tesi s'arrepleguen diversos casos d'estudi que comprenen diferents camps del coneixement com l'analítica d'aprenentatge i la Intel·ligència Artificial. Això demostra que la gamma d'aplicacions on la computació serverless pot aportar grans beneficis és molt àmplia. Els resultats obtinguts avalen l'ús del model serverless en la simplificació del disseny d'arquitectures per a l'ús intensiu de dades en aplicacions complexes.[EN] With the development of Cloud Computing, the delivery of virtualized resources over the Internet has greatly grown in recent years. Functions as a Service (FaaS), one of the newest service models within Cloud Computing, allows the development and implementation of event-based applications that cover managed services in public and on-premises Clouds. Public Cloud Computing providers adopt the FaaS model within their catalog to provide event-driven highly-scalable computing for applications. On the one hand, developers specialized in this technology focus on creating open-source serverless frameworks to avoid the lock-in with public Cloud providers. Despite the development achieved by serverless computing, there are currently fields related to data processing and execution performance optimization where the full potential has not been explored. In this doctoral thesis three serverless computing strategies are defined that allow to demonstrate the benefits of this technology for data processing. The implemented strategies allow the analysis of data with the integration of accelerated devices for the efficient execution of scientific applications on public and on-premises Cloud platforms. Firstly, the CloudTrail-Tracker platform was developed to extract and process learning analytics in the Cloud. CloudTrail-Tracker is an event-driven open-source platform for serverless data processing that can automatically scale up and down, featuring the ability to scale to zero for minimizing the operational costs. Next, the integration of GPUs in an event-driven on-premises serverless platform for scalable data processing is discussed. The platform supports the execution of applications as serverless functions in response to the loading of a file in a file storage system, which allows the parallel execution of applications according to available resources. This processing is managed by an elastic Kubernetes cluster that automatically grows and shrinks according to the processing needs. Certain approaches based on GPU virtualization technologies such as rCUDA and NVIDIA-Docker are evaluated to speed up the execution time of the functions. Finally, another solution based on the serverless model is implemented to run the inference phase of previously trained machine learning models on theAmazon Web Services platform and in a private platform with the OSCAR framework. The system grows elastically according to demand and is scaled to zero to minimize costs. On the other hand, the front-end provides the user with a simplified experience in obtaining the prediction of machine learning models. To demonstrate the functionalities and advantages of the solutions proposed during this thesis, several case studies are collected covering different fields of knowledge such as learning analytics and Artificial Intelligence. This shows the wide range of applications where serverless computing can bring great benefits. The results obtained endorse the use of the serverless model in simplifying the design of architectures for the intensive data processing in complex applications.Naranjo Delgado, DM. (2021). Serverless Computing Strategies on Cloud Platforms [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/160916TESI

    Predicting diabetes-related hospitalizations based on electronic health records

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    OBJECTIVE: To derive a predictive model to identify patients likely to be hospitalized during the following year due to complications attributed to Type II diabetes. METHODS: A variety of supervised machine learning classification methods were tested and a new method that discovers hidden patient clusters in the positive class (hospitalized) was developed while, at the same time, sparse linear support vector machine classifiers were derived to separate positive samples from the negative ones (non-hospitalized). The convergence of the new method was established and theoretical guarantees were proved on how the classifiers it produces generalize to a test set not seen during training. RESULTS: The methods were tested on a large set of patients from the Boston Medical Center - the largest safety net hospital in New England. It is found that our new joint clustering/classification method achieves an accuracy of 89% (measured in terms of area under the ROC Curve) and yields informative clusters which can help interpret the classification results, thus increasing the trust of physicians to the algorithmic output and providing some guidance towards preventive measures. While it is possible to increase accuracy to 92% with other methods, this comes with increased computational cost and lack of interpretability. The analysis shows that even a modest probability of preventive actions being effective (more than 19%) suffices to generate significant hospital care savings. CONCLUSIONS: Predictive models are proposed that can help avert hospitalizations, improve health outcomes and drastically reduce hospital expenditures. The scope for savings is significant as it has been estimated that in the USA alone, about $5.8 billion are spent each year on diabetes-related hospitalizations that could be prevented.Accepted manuscrip
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