In this paper we present a set of efficient algorithms for detection and identification of discontinuities in high dimensional space. The method is based on extension of polynomial annihilation for discontinuity detection in low dimensions. Compared to the earlier work, the present method poses significant improvements for high dimensional problems. The core of the algorithms relies on adaptive refinement of sparse grids. It is demonstrated that in the commonly encountered cases where a discontinuity resides on a small subset of the dimensions, the present method becomes \"optimal\", in the sense that the total number of points required for function evaluations depends linearly on the dimensionality of the space. The details of the algorithms will be presented and various numerical examples are utilized to demonstrate the efficacy of the method.

Keywords: Adaptive sparse grids, Stochastic partial differential equations, Multivariate discontinuity detection, Generalized polynomial chaos method, High-dimensional approximation

Fundamental to high angular resolution diffusion imaging (HARDI), is the estimation of a positive-semidefinite orientation distribution function (ODF) and extracting the diffusion properties (e.g., fiber directions). In this work we show that these two goals can be achieved efficiently by using homogeneous polynomials to represent the ODF in the spherical deconvolution approach, as was proposed in the Cartesian Tensor-ODF (CT-ODF) formulation. Based on this formulation we first suggest an estimation method for positive-semidefinite ODF by solving a linear programming problem that does not require special parametrization of the ODF. We also propose a rank-k tensor decomposition, known as CP decomposition, to extract the fibers information from the estimated ODF. We show that this decomposition is superior to the fiber direction estimation via ODF maxima detection as it enables one to reach the full fiber separation resolution of the estimation technique. We assess the accuracy of this new framework by applying it to synthetic and experimentally obtained HARDI data.

The use of (a posteriori) error estimates is a fundamental tool in the application of adaptive numerical methods across a range of fluid flow problems. Such estimates are incomplete however, in that they do not necessarily indicate where to refine in order to achieve the most impact on the error, nor what type of refinement (for example h-refinement or p-refinement) will be best. This paper extends preliminary work of the authors (Comm Comp Phys, 2010;7:631–8), which uses adjoint-based sensitivity estimates in order to address these questions, to include application with p-refinement to arbitrary order and the use of practical a posteriori estimates. Results are presented which demonstrate that the proposed approach can guide both the h-refinement and the p-refinement processes, to yield improvements in the adaptive strategy compared to the use of more orthodox criteria.

Neuroscientists are developing new imaging techniques and generating large volumes of data in an effort to understand the complex structure of the nervous system. To aid in the analysis, new segmentation techniques for identifying neurons in these feature rich datasets are required. However, the extremely anisotropic resolution of the data makes segmentation and tracking across slices difficult. This paper presents a complete method for segmenting neurons in electron microscopy images and visualizing them in three dimensions. First, we present an advanced method for identifying neuron membranes, necessary for whole neuron segmentation, using a machine learning approach. Next, neurons are segmented in each two-dimensional section and connected using correlation of regions between sections. These techniques, combined with a visual user interface, enable users to quickly segment whole neurons in large volumes.

The Software for Science and Engineering (SSE) Task Force commenced in June 2009 with a charge that consisted of the following three elements:

Identify specific needs and opportunities across the spectrum of scientific software infrastructure. Characterize the specific needs and analyze technical gaps and opportunities for NSF to meet those needs through individual and systemic approaches. Design responsive approaches. Develop initiatives and programs led (or co-led) by NSF to grow, develop, and sustain the software infrastructure needed to support NSF’s mission of transformative research and innovation leading to scientific leadership and technological competitiveness. Address issues of institutional barriers. Anticipate, analyze and address both institutional and exogenous barriers to NSF’s promotion of such an infrastructure.

The SSE Task Force members participated in bi-weekly telecons to address the given charge. The telecons often included additional distinguished members of the scientific community beyond the task force membership engaged in software issues, as well as personnel from federal agencies outside of NSF who manage software programs. It was quickly acknowledged that a number of reports loosely and tightly related to SSE existed and should be leveraged. By September 2009, the task formed had formed three subcommittees focused on the following topics: (1) compute-intensive science, (2) data-intensive science, and (3) software evolution.

Hybridization through the border of the elements (hybrid unknowns) combined with a Schur complement procedure (often called static condensation in the context of continuous Galerkin linear elasticity computations) has in various forms been advocated in the mathematical and engineering literature as a means of accomplishing domain decomposition, of obtaining increased accuracy and convergence results, and of algorithm optimization. Recent work on the hybridization of mixed methods, and in particular of the discontinuous Galerkin (DG) method, holds the promise of capitalizing on the three aforementioned properties; in particular, of generating a numerical scheme that is discontinuous in both the primary and flux variables, is locally conservative, and is computationally competitive with traditional continuous Galerkin (CG) approaches. In this paper we present both implementation and optimization strategies for the Hybridizable Discontinuous Galerkin (HDG) method applied to two dimensional elliptic operators. We implement our HDG approach within a spectral/hp element framework so that comparisons can be done between HDG and the traditional CG approach.

We demonstrate that the HDG approach generates a global trace space system for the unknown that although larger in rank than the traditional static condensation system in CG, has significantly smaller bandwidth at moderate polynomial orders. We show that if one ignores set-up costs, above approximately fourth-degree polynomial expansions on triangles and quadrilaterals the HDG method can be made to be as efficient as the CG approach, making it competitive for time-dependent problems even before taking into consideration other properties of DG schemes such as their superconvergence properties and their ability to handle hp-adaptivity.

A significant number of patients with major depressive disorder are unresponsive to conventional therapies. For these patients, neuromodulation approaches are being investigated.

Large volumes of real-world data often exhibit inhomogeneities: vertically in the form of correlated or independent dimensions and horizontally in the form of clustered or scattered data items. In essence, these inhomogeneities form the patterns in the data that researchers are trying to find and understand. Sophisticated statistical methods are available to reveal these patterns, however, the visualization of their outcomes is mostly still performed in a one-view-fits-all manner, In contrast, our novel visualization approach, VisBricks, acknowledges the inhomogeneity of the data and the need for different visualizations that suit the individual characteristics of the different data subsets. The overall visualization of the entire data set is patched together from smaller visualizations, there is one VisBrick for each cluster in each group of interdependent dimensions. Whereas the total impression of all VisBricks together gives a comprehensive high-level overview of the different groups of data, each VisBrick independently shows the details of the group of data it represents, State-of-the-art brushing and visual linking between all VisBricks furthermore allows the comparison of the groupings and the distribution of data items among them. In this paper, we introduce the VisBricks visualization concept, discuss its design rationale and implementation, and demonstrate its usefulness by applying it to a use case from the field of biomedicine.

We describe the first formal specification of a non-trivial subset of MPI, the dominant communication API in high performance computing. Engineering a formal specification for a non-trivial concurrency API requires the right combination of rigor, executability, and traceability, while also serving as a smooth elaboration of a pre-existing informal specification. It also requires the modularization of reusable specification components to keep the length of the specification in check. Long-lived APIs such as MPI are not usually 'textbook minimalistic' because they support a diverse array of applications, a diverse community of users, and have efficient implementations over decades of computing hardware. We choose the TLA+ notation to write our specifications, and describe how we organized the specification of around 200 of the 300 MPI 2.0 functions. We detail a handful of these functions in this paper, and assess our specification with respect to the aforementioned requirements. We close with a description of possible approaches that may help render the act of writing, understanding, and validating the specifications of concurrency APIs much more productive.

In this paper, we present an efficient numerical method for evaluating rare failure probability. The method is based on a recently developed surrogate-based method from Li and Xiu [J. Li, D. Xiu, Evaluation of failure probability via surrogate models, J. Comput. Phys. 229 (2010) 8966–8980] for failure probability computation. The method by Li and Xiu is of hybrid nature, in the sense that samples of both the surrogate model and the true physical model are used, and its efficiency gain relies on using only very few samples of the true model. Here we extend the capability of the method to rare probability computation by using the idea of importance sampling (IS). In particular, we employ cross-entropy (CE) method, which is an effective method to determine the biasing distribution in IS. We demonstrate that, by combining with the CE method, a surrogate-based IS algorithm can be constructed and is highly efficient for rare failure probability computation—it incurs much reduced simulation efforts compared to the traditional CE-IS method. In many cases, the new method is capable of capturing failure probability as small as 10^-12 ~ 10^-6 with only several hundreds samples.

Keywords: Rare events, Failure probability, Importance sampling, Cross-entropy

Solutions to Partial Differential Equations (PDEs) are often computed by discretizing the domain into a collection of computational elements referred to as a mesh. This solution is an approximation with an error that decreases as the mesh spacing decreases. However, decreasing the mesh spacing also increases the computational requirements. Adaptive mesh refinement (AMR) attempts to reduce the error while limiting the increase in computational requirements by refining the mesh locally in regions of the domain that have large error while maintaining a coarse mesh in other portions of the domain. This approach often provides a solution that is as accurate as that obtained from a much larger fixed mesh simulation, thus saving on both computational time and memory. However, historically, these AMR operations often limit the overall scalability of the application.

Adapting the mesh at runtime necessitates scalable regridding and load balancing algorithms. This dissertation analyzes the performance bottlenecks for a widely used regridding algorithm and presents two new algorithms which exhibit ideal scalability. In addition, a scalable space-filling curve generation algorithm for dynamic load balancing is also presented. The performance of these algorithms is analyzed by determining their theoretical complexity, deriving performance models, and comparing the observed performance to those performance models. The models are then used to predict performance on larger numbers of processors. This analysis demonstrates the necessity of these algorithms at larger numbers of processors. This dissertation also investigates methods to more accurately predict workloads based on measurements taken at runtime. While the methods used are not new, the application of these methods to the load balancing process is. These methods are shown to be highly accurate and able to predict the workload within 3% error. By improving the accuracy of these estimations, the load imbalance of the simulation can be reduced, thereby increasing the overall performance.