This installment of Computer’s series highlighting the work published in IEEE Computer Society journals comes from IEEE Transactions on Parallel and Distributed Systems.
D. Reed, D. Gannon, J. Dongarra. Reinventing High Performance Computing: Challenges and Opportunities, Subtitled UUSCI-2022-001, University of Utah, 2022.
The world of computing is in rapid transition, now dominated by a world of smartphones and cloud services, with profound implications for the future of advanced scientific computing. Simply put, high-performance computing (HPC) is at an important inflection point. For the last 60 years, the world's fastest supercomputers were almost exclusively produced in the United States on behalf of scientific research in the national laboratories. Change is now in the wind. While costs now stretch the limits of U.S. government funding for advanced computing, Japan and China are now leaders in the bespoke HPC systems funded by government mandates. Meanwhile, the global semiconductor shortage and political battles surrounding fabrication facilities affect everyone. However, another, perhaps even deeper, fundamental change has occurred. The major cloud vendors have invested in global networks of massive scale systems that dwarf today's HPC systems. Driven by the computing demands of AI, these cloud systems are increasingly built using custom semiconductors, reducing the financial leverage of traditional computing vendors. These cloud systems are now breaking barriers in game playing and computer vision, reshaping how we think about the nature of scientific computation. Building the next generation of leading edge HPC systems will require rethinking many fundamentals and historical approaches by embracing end-to-end co-design; custom hardware configurations and packaging; large-scale prototyping, as was common thirty years ago; and collaborative partnerships with the dominant computing ecosystem companies, smartphone, and cloud computing vendors.
S. Sane, C. R. Johnson, H. Childs. Demonstrating the viability of Lagrangian in situ reduction on supercomputers, In Journal of Computational Science, Vol. 61, Elsevier, 2022.
Performing exploratory analysis and visualization of large-scale time-varying computational science applications is challenging due to inaccuracies that arise from under-resolved data. In recent years, Lagrangian representations of the vector field computed using in situ processing are being increasingly researched and have emerged as a potential solution to enable exploration. However, prior works have offered limited estimates of the encumbrance on the simulation code as they consider “theoretical” in situ environments. Further, the effectiveness of this approach varies based on the nature of the vector field, benefitting from an in-depth investigation for each application area. With this study, an extended version of Sane et al. (2021), we contribute an evaluation of Lagrangian analysis viability and efficacy for simulation codes executing at scale on a supercomputer. We investigated previously unexplored cosmology and seismology applications as well as conducted a performance benchmarking study by using a hydrodynamics mini-application targeting exascale computing. To inform encumbrance, we integrated in situ infrastructure with simulation codes, and evaluated Lagrangian in situ reduction in representative homogeneous and heterogeneous HPC environments. To inform post hoc accuracy, we conducted a statistical analysis across a range of spatiotemporal configurations as well as a qualitative evaluation. Additionally, our study contributes cost estimates for distributed-memory post hoc reconstruction. In all, we demonstrate viability for each application — data reduction to less than 1% of the total data via Lagrangian representations, while maintaining accurate reconstruction and requiring under 10% of total execution time in over 90% of our experiments.
Scalable CPU Ray Tracing for In Situ Visualization Using OSPRay, In In Situ Visualization for Computational Science, Springer International Publishing, pp. 353--374. 2022.
In situ visualization increasingly involves rendering large numbers of images for post hoc exploration. As both the number of images to be rendered and the data being rendered are large, the scalability of the rendering component is of key concern. Furthermore, the renderer must be able to support a wide range of data distributions, simulation configurations, and HPC systems to provide the flexibility required for a portable, general purpose in situ rendering package. In this chapter, we discuss recent developments in OSPRay’s support for MPI-parallel applications to provide a flexible and scalable rendering API, with a focus on how these developments can be applied to enable scalable, high-quality in situ visualization.
V. Zala, A. Narayan, R.M. Kirby. Convex Optimization-Based Structure-Preserving Filter For Multidimensional Finite Element Simulations, Subtitled arXiv preprint arXiv:2203.09748, 2022.
In simulation sciences, it is desirable to capture the real-world problem features as accurately as possible. Methods popular for scientific simulations such as the finite element method (FEM) and finite volume method (FVM) use piecewise polynomials to approximate various characteristics of a problem, such as the concentration profile and the temperature distribution across the domain. Polynomials are prone to creating artifacts such as Gibbs oscillations while capturing a complex profile. An efficient and accurate approach must be applied to deal with such inconsistencies in order to obtain accurate simulations. This often entails dealing with negative values for the concentration of chemicals, exceeding a percentage value over 100, and other such problems. We consider these inconsistencies in the context of partial differential equations (PDEs). We propose an innovative filter based on convex optimization to deal with the inconsistencies observed in polynomial-based simulations. In two or three spatial dimensions, additional complexities are involved in solving the problems related to structure preservation. We present the construction and application of a structure-preserving filter with a focus on multidimensional PDEs. Methods used such as the Barycentric interpolation for polynomial evaluation at arbitrary points in the domain and an optimized root-finder to identify points of interest improve the filter efficiency, usability, and robustness. Lastly, we present numerical experiments in 2D and 3D using discontinuous Galerkin formulation and demonstrate the filter's efficacy to preserve the desired structure. As a real-world application …
Importance. Medical images are essential for modern medicine and an important research subject in visualization. However, medical experts are often not aware of the many advanced three-dimensional (3D) medical image visualization techniques that could increase their capabilities in data analysis and assist the decision-making process for specific medical problems. Our paper provides a review of 3D visualization techniques for medical images, intending to bridge the gap between medical experts and visualization researchers. Highlights. Fundamental visualization techniques are revisited for various medical imaging modalities, from computational tomography to diffusion tensor imaging, featuring techniques that enhance spatial perception, which is critical for medical practices. The state-of-the-art of medical visualization is reviewed based on a procedure-oriented classification of medical problems for studies of individuals and populations. This paper summarizes free software tools for different modalities of medical images designed for various purposes, including visualization, analysis, and segmentation, and it provides respective Internet links. Conclusions. Visualization techniques are a useful tool for medical experts to tackle specific medical problems in their daily work. Our review provides a quick reference to such techniques given the medical problem and modalities of associated medical images. We summarize fundamental techniques and readily available visualization tools to help medical experts to better understand and utilize medical imaging data. This paper could contribute to the joint effort of the medical and visualization communities to advance precision medicine.
P. Agrawal, R. T. Whitaker, S. Y. Elhabian. Learning Deep Features for Shape Correspondence with Domain Invariance, Subtitled arXiv preprint arXiv:2102.10493, 2021.
Correspondence-based shape models are key to various medical imaging applications that rely on a statistical analysis of anatomies. Such shape models are expected to represent consistent anatomical features across the population for population-specific shape statistics. Early approaches for correspondence placement rely on nearest neighbor search for simpler anatomies. Coordinate transformations for shape correspondence hold promise to address the increasing anatomical complexities. Nonetheless, due to the inherent shape-level geometric complexity and population-level shape variation, the coordinate-wise correspondence often does not translate to the anatomical correspondence. An alternative, group-wise approach for correspondence placement explicitly models the trade-off between geometric description and the population's statistical compactness. However, these models achieve limited success in resolving nonlinear shape correspondence. Recent works have addressed this limitation by adopting an application-specific notion of correspondence through lifting positional data to a higher dimensional feature space. However, they heavily rely on manual expertise to create domain-specific features and consistent landmarks. This paper proposes an automated feature learning approach, using deep convolutional neural networks to extract correspondence-friendly features from shape ensembles. Further, an unsupervised domain adaptation scheme is introduced to augment the pretrained geometric features with new anatomies. Results on anatomical datasets of human scapula, femur, and pelvis bones demonstrate that …
T. M. Athawale, B. J. Stanislawski, S. Sane,, C. R. Johnson. Visualizing Interactions Between Solar Photovoltaic Farms and the Atmospheric Boundary Layer, In Twelfth ACM International Conference on Future Energy Systems, pp. 377--381. 2021.
The efficiency of solar panels depends on the operating temperature. As the panel temperature rises, efficiency drops. Thus, the solar energy community aims to understand the factors that influence the operating temperature, which include wind speed, wind direction, turbulence, ambient temperature, mounting configuration, and solar cell material. We use high-resolution numerical simulations to model the flow and thermal behavior of idealized solar farms. Because these simulations model such complex behavior, advanced visualization techniques are needed to investigate and understand the results. Here, we present advanced 3D visualizations of numerical simulation results to illustrate the flow and heat transport in an idealized solar farm. The findings can be used to understand how flow behavior influences module temperatures, and vice versa.
T. M. Athawale, S. Sane, C. R. Johnson. Uncertainty Visualization of the Marching Squares and Marching Cubes Topology Cases, Subtitled arXiv:2108.03066, 2021.
Marching squares (MS) and marching cubes (MC) are widely used algorithms for level-set visualization of scientific data. In this paper, we address the challenge of uncertainty visualization of the topology cases of the MS and MC algorithms for uncertain scalar field data sampled on a uniform grid. The visualization of the MS and MC topology cases for uncertain data is challenging due to their exponential nature and the possibility of multiple topology cases per cell of a grid. We propose the topology case count and entropy-based techniques for quantifying uncertainty in the topology cases of the MS and MC algorithms when noise in data is modeled with probability distributions. We demonstrate the applicability of our techniques for independent and correlated uncertainty assumptions. We visualize the quantified topological uncertainty via color mapping proportional to uncertainty, as well as with interactive probability queries in the MS case and entropy isosurfaces in the MC case. We demonstrate the utility of our uncertainty quantification framework in identifying the isovalues exhibiting relatively high topological uncertainty. We illustrate the effectiveness of our techniques via results on synthetic, simulation, and hixel datasets.
We present a nonparametric statistical framework for the quantification, analysis, and propagation of data uncertainty in direct volume rendering (DVR). The state-of-the-art statistical DVR framework allows for preserving the transfer function (TF) of the ground truth function when visualizing uncertain data; however, the existing framework is restricted to parametric models of uncertainty. In this paper, we address the limitations of the existing DVR framework by extending the DVR framework for nonparametric distributions. We exploit the quantile interpolation technique to derive probability distributions representing uncertainty in viewing-ray sample intensities in closed form, which allows for accurate and efficient computation. We evaluate our proposed nonparametric statistical models through qualitative and quantitative comparisons with the mean-field and parametric statistical models, such as uniform and Gaussian, as well as Gaussian mixtures. In addition, we present an extension of the state-of-the-art rendering parametric framework to 2D TFs for improved DVR classifications. We show the applicability of our uncertainty quantification framework to ensemble, downsampled, and bivariate versions of scalar field datasets.
P. R. Atkins, P. Agrawal, J. D. Mozingo, K. Uemura, K. Tokunaga, C. L. Peters, S. Y. Elhabian, R. T. Whitaker, A. E. Anderson.
Prediction of Femoral Head Coverage from Articulated Statistical Shape Models of Patients with Developmental Dysplasia of the Hip, In Journal of Orthopaedic Research, Wiley, 2021.
Developmental dysplasia of the hip (DDH) is commonly described as reduced femoral head coverage due to anterolateral acetabular deficiency. Although reduced coverage is the defining trait of DDH, more subtle and localized anatomic features of the joint are also thought to contribute to symptom development and degeneration. These features are challenging to identify using conventional approaches. Herein, we assessed the morphology of the full femur and hemi-pelvis using an articulated statistical shape model (SSM). The model determined the morphological and pose-based variations associated with DDH in a population of Japanese females and established which of these variations predict coverage. Computed tomography images of 83 hips from 47 patients were segmented for input into a correspondence-based SSM. The dominant modes of variation in the model initially represented scale and pose. After removal of these factors through individual bone alignment, femoral version and neck-shaft angle, pelvic curvature, and acetabular version dominated the observed variation. Femoral head oblateness and prominence of the acetabular rim and various muscle attachment sites of the femur and hemi-pelvis were found to predict 3D CT-based coverage measurements (R2=0.5-0.7 for the full bones, R2=0.9 for the joint).
A. Bagherinezhad, M. Young, Bei Wang, M. Parvania. Spatio-Temporal Visualization of Interdependent Battery Bus Transit and Power Distribution Systems, In IEEE PES Innovative Smart Grid Technologies Conference(ISGT), IEEE, 2021.
The high penetration of transportation electrification and its associated charging requirements magnify the interdependency of the transportation and power distribution systems. The emergent interdependency requires that system operators fully understand the status of both systems. To this end,a visualization tool is presented to illustrate the inter dependency of battery bus transit and power distribution systems and the associated components. The tool aims at monitoring components from both systems, such as the locations of electric buses, the state of charge of batteries, the price of electricity, voltage, current,and active/reactive power flow. The results showcase the success of the visualization tool in monitoring the bus transit and power distribution components to determine a reliable cost-effective scheme for spatio-temporal charging of electric buses.
M. K. Ballard, R. Amici, V. Shankar, L. A. Ferguson, M. Braginsky, R. M. Kirby. Towards an Extrinsic, CG-XFEM Approach Based on Hierarchical Enrichments for Modeling Progressive Fracture, Subtitled arXiv preprint arXiv:2104.14704, 2021.
We propose an extrinsic, continuous-Galerkin (CG), extended finite element method (XFEM) that generalizes the work of Hansbo and Hansbo to allow multiple Heaviside enrichments within a single element in a hierarchical manner. This approach enables complex, evolving XFEM surfaces in 3D that cannot be captured using existing CG-XFEM approaches. We describe an implementation of the method for 3D static elasticity with linearized strain for modeling open cracks as a salient step towards modeling progressive fracture. The implementation includes a description of the finite element model, hybrid implicit/explicit representation of enrichments, numerical integration method, and novel degree-of-freedom (DoF) enumeration algorithm. This algorithm supports an arbitrary number of enrichments within an element, while simultaneously maintaining a CG solution across elements. Additionally, our approach easily allows an implementation suitable for distributed computing systems. Enabled by the DoF enumeration algorithm, the proposed method lays the groundwork for a computational tool that efficiently models progressive fracture. To facilitate a discussion of the complex enrichment hierarchies, we develop enrichment diagrams to succinctly describe and visualize the relationships between the enrichments (and the fields they create) within an element. This also provides a unified language for discussing extrinsic XFEM methods in the literature. We compare several methods, relying on the enrichment diagrams to highlight their nuanced differences.
Developing data-driven applications requires developers and service providers to orchestrate data-to-discovery pipelines across distributed data sources and computing units. Realizing such pipelines poses two major challenges: programming analytics that reacts at runtime to unforeseen events, and adaptation of the resources and computing paths between the edge and the cloud. While these concerns are interdependent, they must be separated during the design process of the application and the deployment operations of the infrastructure. This work proposes a system stack for the adaptation of distributed analytics across the computing continuum. We implemented this software stack to evaluate its ability to continually balance the computation or data movement’s cost with the value of operations to the application objectives. Using a disaster response application, we observe that the system can select appropriate configurations while managing trade-offs between user-defined constraints, quality of results, and resource utilization. The evaluation shows that our model is able to adapt to variations in the data input size, bandwidth, and CPU capacities with minimal deadline violations (close to 10%). This constitutes encouraging results to benefit and facilitate the creation of ad-hoc computing paths for urgent science and time-critical decision-making.
D. Balouek-Thomert, P. Silva, K. Fauvel, A. Costan, G. Antoniu, M. Parashar. MDSC: Modelling Distributed Stream Processing across the Edge-to-Cloud Continuum, In DML-ICC 2021 workshop (held in conjunction with UCC 2021), December, 2021.
The growth of the Internet of Things is resulting in an explosion of data volumes at the Edge of the Internet. To reduce costs incurred due to data movement and centralized cloud-based processing, it is becoming increasingly important to process and analyze such data closer to the data sources. Exploiting Edge computing capabilities for stream-based processing is however challenging. It requires addressing the complex characteristics and constraints imposed by all the resources along the data path, as well as the large set of heterogeneous data processing and management frameworks. Consequently, the community needs tools that can facilitate the modeling of this complexity and can integrate the various components involved. In this work, we introduce MDSC, a hierarchical approach for modeling distributed stream-based applications on Edge-to-Cloud continuum infrastructures. We demonstrate how MDSC can be applied to a concrete real-life ML-based application -early earthquake warning - to help answer questions such as: when is it worth decentralizing the classification load from the Cloud to the Edge and how?
M. Berzins. Symplectic Time Integration Methods for the Material Point Method, Experiments, Analysis and Order Reduction, In WCCM-ECCOMAS2020 virtual Conference, January, 2021.
The provision of appropriate time integration methods for the Material Point Method (MPM) involves considering stability, accuracy and energy conservation. A class of methods that addresses many of these issues are the widely-used symplectic time integration methods. Such methods have good conservation properties and have the potential to achieve high accuracy. In this work we build on the work in  and consider high order methods for the time integration of the Material Point Method. The results of practical experiments show that while high order methods in both space and time have good accuracy initially, unless the problem has relatively little particle movement then the accuracy of the methods for later time is closer to that of low order methods. A theoretical analysis explains these results as being similar to the stage error found in Runge Kutta methods, though in this case the stage error arises from the MPM differentiations and interpolations from particles to grid and back again, particularly in cases in which there are many grid crossings.
Electrocardiographic forward problems are crucial components for noninvasive electrocardiographic imaging (ECGI) that compute torso potentials from cardiac source measurements. Forward problems have few sources of error as they are physically well posed and supported by mature numerical and computational techniques. However, the residual errors reported from experimental validation studies between forward computed and measured torso signals remain surprisingly high.
To test the hypothesis that incomplete cardiac source sampling, especially above the atrioventricular (AV) plane is a major contributor to forward solution errors.
We used a modified Langendorff preparation suspended in a human-shaped electrolytic torso-tank and a novel pericardiac-cage recording array to thoroughly sample the cardiac potentials. With this carefully controlled experimental preparation, we minimized possible sources of error, including geometric error and torso inhomogeneities. We progressively removed recorded signals from above the atrioventricular plane to determine how the forward-computed torso-tank potentials were affected by incomplete source sampling.
We studied 240 beats total recorded from three different activation sequence types (sinus, and posterior and anterior left-ventricular free-wall pacing) in each of two experiments. With complete sampling by the cage electrodes, all correlation metrics between computed and measured torso-tank potentials were above 0.93 (maximum 0.99). The mean root-mean-squared error across all beat types was also low, less than or equal to 0.10 mV. A precipitous drop in forward solution accuracy was observed when we included only cage measurements below the AV plane.
First, our forward computed potentials using complete cardiac source measurements set a benchmark for similar studies. Second, this study validates the importance of complete cardiac source sampling above the AV plane to produce accurate forward computed torso potentials. Testing ECGI systems and techniques with these more complete and highly accurate datasets will improve inverse techniques and noninvasive detection of cardiac electrical abnormalities.
M. Berzins. Time Stepping with Space and Time Errors and Stability of the Material Point Method, In Proceedings of VII International Conference on Particle-Based Methods, PARTICLES 2021, Edited by P. Wriggers, M. Bischoff, E. Onate, M. Bischoff, A. Duster & T. Zohdi, 2021.
The choice of the time step for the Material Point Method (MPM) is often addressed by using a simple stability criterion, such as the speed of sound or a CFL condition. Recently there have been several advances in understanding the stability of MPM. These range from non-linear stability analysis, through to Von Neumann type approaches. While in many instances this works well it is important to understand how this relates to the overall errors present in the method. Although it has been observed that spatial errors may dominate temporal ones at stable time steps, recent work has made more precise the sources and forms of the different MPM errors. This now makes it possible to understand how the different errors and the stability analysis are connected. At the same time this also requires simple computable estimates of the different errors in the material point method. The use of simple estimates of these errors makes it possible to connect some of the errors introduced with the stability criteria used. A number of simple computational experiments are used to illustrate the theoretical results.
R. Bhalodia, S. Elhabian, L. Kavan, R. Whitaker. Leveraging Unsupervised Image Registration for Discovery of Landmark Shape Descriptor, In Medical Image Analysis, Elsevier, pp. 102157. 2021.
In current biological and medical research, statistical shape modeling (SSM) provides an essential framework for the characterization of anatomy/morphology. Such analysis is often driven by the identification of a relatively small number of geometrically consistent features found across the samples of a population. These features can subsequently provide information about the population shape variation. Dense correspondence models can provide ease of computation and yield an interpretable low-dimensional shape descriptor when followed by dimensionality reduction. However, automatic methods for obtaining such correspondences usually require image segmentation followed by significant preprocessing, which is taxing in terms of both computation as well as human resources. In many cases, the segmentation and subsequent processing require manual guidance and anatomy specific domain expertise. This paper proposes a self-supervised deep learning approach for discovering landmarks from images that can directly be used as a shape descriptor for subsequent analysis. We use landmark-driven image registration as the primary task to force the neural network to discover landmarks that register the images well. We also propose a regularization term that allows for robust optimization of the neural network and ensures that the landmarks uniformly span the image domain. The proposed method circumvents segmentation and preprocessing and directly produces a usable shape descriptor using just 2D or 3D images. In addition, we also propose two variants on the training loss function that allows for prior shape information to be integrated into the model. We apply this framework on several 2D and 3D datasets to obtain their shape descriptors. We analyze these shape descriptors in their efficacy of capturing shape information by performing different shape-driven applications depending on the data ranging from shape clustering to severity prediction to outcome diagnosis.
R. Bhalodia, S. Elhabian, J. Adams, W. Tao, L. Kavan, R. Whitaker. DeepSSM: A Blueprint for Image-to-Shape Deep Learning Models, Subtitled arXiv preprint arXiv:2110.07152, 2021.
Statistical shape modeling (SSM) characterizes anatomical variations in a population of shapes generated from medical images. SSM requires consistent shape representation across samples in shape cohort. Establishing this representation entails a processing pipeline that includes anatomy segmentation, re-sampling, registration, and non-linear optimization. These shape representations are then used to extract low-dimensional shape descriptors that facilitate subsequent analyses in different applications. However, the current process of obtaining these shape descriptors from imaging data relies on human and computational resources, requiring domain expertise for segmenting anatomies of interest. Moreover, this same taxing pipeline needs to be repeated to infer shape descriptors for new image data using a pre-trained/existing shape model. Here, we propose DeepSSM, a deep learning-based framework for learning the functional mapping from images to low-dimensional shape descriptors and their associated shape representations, thereby inferring statistical representation of anatomy directly from 3D images. Once trained using an existing shape model, DeepSSM circumvents the heavy and manual pre-processing and segmentation and significantly improves the computational time, making it a viable solution for fully end-to-end SSM applications. In addition, we introduce a model-based data-augmentation strategy to address data scarcity. Finally, this paper presents and analyzes two different architectural variants of DeepSSM with different loss functions using three medical datasets and their downstream clinical application. Experiments showcase that DeepSSM performs comparably or better to the state-of-the-art SSM both quantitatively and on application-driven downstream tasks. Therefore, DeepSSM aims to provide a comprehensive blueprint for deep learning-based image-to-shape models.