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Productivity from day one on supercomputers that leverage new technologies requires significant preparation. An institution that procures a novel system architecture often lacks sufficient institutional knowledge and skills to prepare for it. Thus, the "Center of Excellence" (CoE) concept has emerged to prepare for systems such as Summit and Sierra, currently the top two systems in the Top 500. This paper documents CoE experiences that prepared a workload of diverse applications and math libraries for a heterogeneous system. We describe our approach to this preparation, including our management and execution strategies, and detail our experiences with and reasons for using different programming approaches. Our early science and performance results show that the project enabled significant early seismic science with up to a l4X throughput increase over Cori. In addition to our successes, we discuss our challenges and failures so others may benefit from our experience.

Due to the additional temporal dimension, large-scale video action recognition is even more challenging than image recognition and typically takes days to train on modern GPUs even for modest-sized datasets. We propose algorithms and techniques to accelerate training of deep neural networks for action recognition on a cluster of GPUs. In terms of convergence and scaling, our distributed training algorithm with adaptive batch size is provably superior to popular asynchronous stochastic gradient descent algorithms. The convergence analysis of our algorithm shows it is possible to reduce communication cost and at the same time minimize the number of iterations needed for convergence. We customize the Adam optimizer for our distributed algorithm to improve efficiency. In addition, we employ transfer-learning to further reduce training time while improving validation accuracy. Compared with the base-line single-GPU stochastic gradient descent implementation of the two-stream training approach, our implementation achieves super-linear speedups on 16 GPUs while improving validation accuracy. For the UCFI0l and HMDB51 datasets, the validation accuracies achieved are 93.1 % and 67.9% respectively. As far as we know, these are the highest accuracies achieved with the two-stream approach that does not involve computationally expensive 3D convolutions or pretraining on much larger datasets.

Image annotation, or prediction of multiple tags for an image, is a challenging task. Most current algorithms are based on large sets of handcrafted features. Deep convolutional neural networks have recently outperformed humans in image classification, and these networks can be used to extract features highly predictive of an image's tags. In this study, we analyze semantic information in features derived from two pre-trained deep network classifiers by evaluating their performance in nearest neighbor-based approaches to tag prediction. We generally exceed performance of the manual features when using the deep features. We also find complementary information in the manual and deep features when used in combination for image annotation.

Machine learning is finding increasingly broad applications in the physical sciences. This most often involves building a model relationship between a dependent, measurable output, and an associated set of controllable, but complicated, independent inputs. We present a tutorial on current techniques in machine learning—a jumping-off point for interested researchers to advance their work. We focus on deep neural networks with an emphasis on demystifying deep learning. We begin with background ideas in machine learning and some example applications from current research in plasma physics. We discuss supervised learning techniques for modeling complicated functions, beginning with familiar regression schemes, and then advancing to more sophisticated deep learning methods. We also address unsupervised learning and techniques for reducing the dimensionality of input spaces. Along the way, we describe methods for practitioners to help ensure that their models generalize from their training data to as-yet-unseen test data. We describe classes of tasks—predicting scalars, handling images, and fitting time-series—and prepare the reader to choose an appropriate technique. We finally point out some limitations to modern machine learning and speculate on some ways that practitioners from the physical sciences may be particularly suited to help.

The heat flux distributions on divertor targets in H-mode plasmas are serious concerns for future devices. We seek to simulate the tokamak boundary plasma turbulence and heat transport in the edge localized mode-suppressed regimes. The improved BOUT++ model shows that not only Ip but also the radial electric field Er plays an important role on the turbulence behavior and sets the heat flux width. Instead of calculating Er from the pressure gradient term (diamagnetic Er), it is calculated from the plasma transport equations with the sheath potential in the scrape-off layer and the plasma density and temperature profiles inside the separatrix from the experiment. The simulation results with the new Er model have better agreement with the experiment than using the diamagnetic Er model: (1) The electromagnetic turbulence in enhanced Dα H-mode shows the characteristics of quasi-coherent modes (QCMs) and broadband turbulence. The mode spectra are in agreement with the phase contrast imaging data and almost has no change in comparison to the cases which use the diamagnetic Er model; (2) the self-consistent boundary Er is needed for the turbulence simulations to get the consistent heat flux width with the experiment; (3) the frequencies of the QCMs are proportional to Er, while the divertor heat flux widths are inversely proportional to Er; and (4) the BOUT++ turbulence simulations yield a similar heat flux width to the experimental Eich scaling law and the prediction from the Goldston heuristic drift model.