Parallel surrogate detection in large-scale simulations

Simulation has become a useful approach in scientific computing and engineering for its ability to model real natural or human systems. In particular, for complex systems such as hurricanes, wildfire disasters, and real-time road traffic, simulation methods are able to provide researchers, engineers and decision makers predicted values in order to help them to take appropriate actions. For large-scale problems, the simulations usually take a lot of time on supercomputers, thus making real-time predictions more difficult. Approximation models that mimic the behavior of simulation models but are computationally cheaper, namely surrogate models , are desired in such scenarios. In the thesis, a framework for scalable surrogate detection in large-scale simulations is presented with the basic idea of using functions to represent functions . The following issues are discussed in the thesis: i) the data mining approaches to detecting and optimizing the surrogate models; ii) the scalable and automated workflow of constructing surrogate models from large-scale simulations; and iii) the system design and implementation with the application of storm surge simulations in the occurrence of hurricanes

On-the-fly tracing for data-centric computing : parallelization, workflow and applications

As data-centric computing becomes the trend in science and engineering, more and more hardware systems, as well as middleware frameworks, are emerging to handle the intensive computations associated with big data. At the programming level, it is crucial to have corresponding programming paradigms for dealing with big data. Although MapReduce is now a known programming model for data-centric computing where parallelization is completely replaced by partitioning the computing task through data, not all programs particularly those using statistical computing and data mining algorithms with interdependence can be re-factorized in such a fashion. On the other hand, many traditional automatic parallelization methods put an emphasis on formalism and may not achieve optimal performance with the given limited computing resources. In this work we propose a cross-platform programming paradigm, called on-the-fly data tracing , to provide source-to-source transformation where the same framework also provides the functionality of workflow optimization on larger applications. Using a big-data approximation computations related to large-scale data input are identified in the code and workflow and a simplified core dependence graph is built based on the computational load taking in to account big data. The code can then be partitioned into sections for efficient parallelization; and at the workflow level, optimization can be performed by adjusting the scheduling for big-data considerations, including the I/O performance of the machine. Regarding each unit in both source code and workflow as a model, this framework enables model-based parallel programming that matches the available computing resources. The techniques used in model-based parallel programming as well as the design of the software framework for both parallelization and workflow optimization as well as its implementations with multiple programming languages are presented in the dissertation. Then, the following experiments are performed to validate the framework: i) the benchmarking of parallelization speed-up using typical examples in data analysis and machine learning (e.g. naive Bayes, k-means) and ii) three real-world applications in data-centric computing with the framework are also described to illustrate the efficiency: pattern detection from hurricane and storm surge simulations, road traffic flow prediction and text mining from social media data. In the applications, it illustrates how to build scalable workflows with the framework along with performance enhancements