SCIENTIFIC COMPUTING AND IMAGING INSTITUTE
at the University of Utah

This paper presents a novel end-to-end framework for closed-form computation and visualization of critical point uncertainty in 2D uncertain scalar fields. Critical points are fundamental topological descriptors used in the visualization and analysis of scalar fields. The uncertainty inherent in data (e.g., observational and experimental data, approximations in simulations, and compression), however, creates uncertainty regarding critical point positions. Uncertainty in critical point positions, therefore, cannot be ignored, given their impact on downstream data analysis tasks. In this work, we study uncertainty in critical points as a function of uncertainty in data modeled with probability distributions. Although Monte Carlo (MC) sampling techniques have been used in prior studies to quantify critical point uncertainty, they are often expensive and are infrequently used in production-quality visualization software. We, therefore, propose a new end-to-end framework to address these challenges that comprises a threefold contribution. First, we derive the critical point uncertainty in closed form, which is more accurate and efficient than the conventional MC sampling methods. Specifically, we provide the closed-form and semianalytical (a mix of closed-form and MC methods) solutions for parametric (e.g., uniform, Epanechnikov) and nonparametric models (e.g., histograms) with finite support. Second, we accelerate critical point probability computations using a parallel implementation with the VTK-m library, which is platform portable. Finally, we demonstrate the integration of our implementation with the ParaView software system to demonstrate near-real-time results for real datasets.

Functional depth is a well-known technique used to derive descriptive statistics (e.g., median, quartiles, and outliers) for 1D data. Surface boxplots extend this concept to ensembles of images, helping scientists and users identify representative and outlier images. However, the computational time for surface boxplots increases cubically with the number of ensemble members, making it impractical for integration into visualization tools. In this paper, we propose a deep-learning solution for efficient depth prediction and computation of surface boxplots for time-varying ensemble data. Our deep learning framework accurately predicts member depths in a surface boxplot, achieving average speedups of 6X on a CPU and 15X on a GPU for the 2D Red Sea dataset with 50 ensemble members compared to the traditional depth computation algorithm. Our approach achieves at least a 99% level of rank preservation, with order flipping occurring only at pairs with extremely similar depth values that pose no statistical differences. This local flipping does not significantly impact the overall depth order of the ensemble members.

Uncertainty visualization is an emerging research topic in data visualization because neglecting uncertainty in visualization can lead to inaccurate assessments. In this paper, we study the propagation of multivariate data uncertainty in visualization. Although there have been a few advancements in probabilistic uncertainty visualization of multivariate data, three critical challenges remain to be addressed. First, the state-of-the-art probabilistic uncertainty visualization framework is limited to bivariate data (two variables). Second, existing uncertainty visualization algorithms use computationally intensive techniques and lack support for cross-platform portability. Third, as a consequence of the computational expense, integration into production visualization tools is impractical. In this work, we address all three issues and make a threefold contribution. First, we take a step to generalize the state-of-the-art probabilistic framework for bivariate data to multivariate data with an arbitrary number of variables. Second, through utilization of VTK-m’s shared-memory parallelism and cross-platform compatibility features, we demonstrate acceleration of multivariate uncertainty visualization on different many-core architectures, including OpenMP and AMD GPUs. Third, we demonstrate the integration of our algorithms with the ParaView software. We demonstrate the utility of our algorithms through experiments on multivariate simulation data with three and four variables.

Wildfires pose substantial risks to our health, environment, and economy. Studying wildfires is challenging due to their complex interaction with the atmosphere dynamics and the terrain. Researchers have employed ensemble simulations to study the relationship among variables and mitigate uncertainties in unpredictable initial conditions. However, many wildfire researchers are unaware of the advanced visualization available for conveying uncertainty. We designed and implemented an interactive visualization system for studying the uncertainties of fire spread patterns utilizing band-depth-based order statistics and contour boxplots. We also augment the visualization system with the summary of changes in the burned area and fuel content to help scientists identify interesting temporal events. In this paper, we demonstrate how our system can support wildfire experts in studying fire spread patterns, identifying outlier simulations, and navigating to interesting times based on a summary of events.

Isosurface visualization is fundamental for exploring and analyzing 3D volumetric data. Marching cubes (MC) algorithms with linear interpolation are commonly used for isosurface extraction and visualization. Although linear interpolation is easy to implement, it has limitations when the underlying data is complex and high-order, which is the case for most real-world data. Linear interpolation can output vertices at the wrong location. Its inability to deal with sharp features and features smaller than grid cells can lead to an incorrect isosurface with holes and broken pieces. Despite these limitations, isosurface visualizations typically do not include insight into the spatial location and the magnitude of these errors. We utilize high-order interpolation methods with MC algorithms and interactive visualization to highlight these uncertainties. Our visualization tool helps identify the regions of high interpolation errors. It also allows users to query local areas for details and compare the differences between isosurfaces from different interpolation methods. In addition, we employ high-order methods to identify and reconstruct possible features that linear methods cannot detect. We showcase how our visualization tool helps explore and understand the extracted isosurface errors through synthetic and real-world data.

Uncertainty is inherent to most data, including vector field data, yet it is often omitted in visualizations and representations. Effective uncertainty visualization can enhance the understanding and interpretability of vector field data. For instance, in the context of severe weather events such as hurricanes and wildfires, effective uncertainty visualization can provide crucial insights about fire spread or hurricane behavior and aid in resource management and risk mitigation. Glyphs are commonly used for representing vector uncertainty but are often limited to 2D. In this work, we present a glyph-based technique for accurately representing 3D vector uncertainty and a comprehensive framework for visualization, exploration, and analysis using our new glyphs. We employ hurricane and wildfire examples to demonstrate the efficacy of our glyph design and visualization tool in conveying vector field uncertainty.

Scientists generate petabytes of data daily to help uncover environmental trends or behaviors that are hard to predict. For example, understanding climate simulations based on the long-term average of temperature, precipitation, and other environmental variables is essential to predicting and establishing root causes of future undesirable scenarios and assessing possible mitigation strategies. While supercomputer centers provide a powerful infrastructure for generating petabytes of simulation output, accessing and analyzing these datasets interactively remains challenging on multiple fronts. This paper presents an approach to managing, visualizing, and analyzing petabytes of data within a browser on equipment ranging from the top NASA supercomputer to commodity hardware like a laptop. Our novel data fabric abstraction layer allows user-friendly querying of scientific information while hiding the complexities of dealing with file systems or cloud services. We also optimize network utilization while streaming from petascale repositories through state-of-the-art progressive compression algorithms. Based on this abstraction, we provide customizable dashboards that can be accessed from any device with any internet connection, enabling interactive visual analysis of vast amounts of data to a wide range of users - from top scientists with access to leadership-class computing environments to undergraduate students of disadvantaged backgrounds from minority-serving institutions. We focus on NASA’s use of petascale climate datasets as an example of particular societal impact and, therefore, a case where achieving equity in science participation is critical. We validate our approach by improving the ability of climate scientists to visually explore their data via two fully interactive dashboards. We further validate our approach by deploying the dashboards and simplified training materials in the classroom at a minority-serving institution. These dashboards, released in simplified form to the general public, contribute significantly to a broader push to democratize the access and use of climate data.

Polynomial interpolation is an important component of many computational problems. In several of these computational problems, failure to preserve positivity when using polynomials to approximate or map data values between meshes can lead to negative unphysical quantities. Currently, most polynomial-based methods for enforcing positivity are based on splines and polynomial rescaling. The spline-based approaches build interpolants that are positive over the intervals in which they are defined and may require solving a minimization problem and/or system of equations. The linear polynomial rescaling methods allow for high-degree polynomials but enforce positivity only at limited locations (e.g., quadrature nodes). This work introduces open-source software (HiPPIS) for high-order data-bounded interpolation (DBI) and positivity-preserving interpolation (PPI) that addresses the limitations of both the spline and polynomial rescaling methods. HiPPIS is suitable for approximating and mapping physical quantities such as mass, density, and concentration between meshes while preserving positivity. This work provides Fortran and Matlab implementations of the DBI and PPI methods, presents an analysis of the mapping error in the context of PDEs, and uses several 1D and 2D numerical examples to demonstrate the benefits and limitations of HiPPIS.

Morse complexes are gradient-based topological descriptors with close connections to Morse theory. They are widely applicable in scientific visualization as they serve as important abstractions for gaining insights into the topology of scalar fields. Data uncertainty inherent to scalar fields due to randomness in their acquisition and processing, however, limits our understanding of Morse complexes as structural abstractions. We, therefore, explore uncertainty visualization of an ensemble of 2D Morse complexes that arises from scalar fields coupled with data uncertainty. We propose several statistical summary maps as new entities for quantifying structural variations and visualizing positional uncertainties of Morse complexes in ensembles. Specifically, we introduce three types of statistical summary maps – the probabilistic map , the significance map , and the survival map – to characterize the uncertain behaviors of gradient flows. We demonstrate the utility of our proposed approach using wind, flow, and ocean eddy simulation datasets.

For inverse problems one attempts to infer spatially variable functions from indirect measurements of a system. To practitioners of inverse problems, the concept of ``information'' is familiar when discussing key questions such as which parts of the function can be inferred accurately and which cannot. For example, it is generally understood that we can identify system parameters accurately only close to detectors, or along ray paths between sources and detectors, because we have ``the most information'' for these places.

Although referenced in many publications, the ``information'' that is invoked in such contexts is not a well understood and clearly defined quantity. Herein, we present a definition of information density that is based on the variance of coefficients as derived from a Bayesian reformulation of the inverse problem. We then discuss three areas in which this information density can be useful in practical algorithms for the solution of inverse problems, and illustrate the usefulness in one of these areas -- how to choose the discretization mesh for the function to be reconstructed -- using numerical experiments.

Time-varying vector fields produced by computational fluid dynamics simulations are often prohibitively large and pose challenges for accurate interactive analysis and exploration. To address these challenges, reduced Lagrangian representations have been increasingly researched as a means to improve scientific time-varying vector field exploration capabilities. This paper presents a novel deep neural network-based particle tracing method to explore time-varying vector fields represented by Lagrangian flow maps. In our workflow, in situ processing is first utilized to extract Lagrangian flow maps, and deep neural networks then use the extracted data to learn flow field behavior. Using a trained model to predict new particle trajectories offers a fixed small memory footprint and fast inference. To demonstrate and evaluate the proposed method, we perform an in-depth study of performance using a well-known analytical data set, the Double Gyre. Our study considers two flow map extraction strategies, the impact of the number of training samples and integration durations on efficacy, evaluates multiple sampling options for training and testing, and informs hyperparameter settings. Overall, we find our method requires a fixed memory footprint of 10.5 MB to encode a Lagrangian representation of a time-varying vector field while maintaining accuracy. For post hoc analysis, loading the trained model costs only two seconds, significantly reducing the burden of I/O when reading data for visualization. Moreover, our parallel implementation can infer one hundred locations for each of two thousand new pathlines in 1.3 seconds using one NVIDIA Titan RTX GPU.

Visualizing the uncertainty of ensemble simulations is challenging due to the large size and multivariate and temporal features of en-semble data sets. One popular approach to studying the uncertainty of ensembles is analyzing the positional uncertainty of the level sets. Probabilistic marching cubes is a technique that performs Monte Carlo sampling of multivariate Gaussian noise distributions for positional uncertainty visualization of level sets. However, the technique suffers from high computational time, making interactive visualization and analysis impossible to achieve. This paper introduces a deep-learning-based approach to learning the level-set uncertainty for two-dimensional ensemble data with a multivariate Gaussian noise assumption. We train the model using the first few time steps from time-varying ensemble data in our workflow. We demonstrate that our trained model accurately infers uncertainty in level sets for new time steps and is up to 170X faster than that of the original probabilistic model with serial computation and 10X faster than that of the original parallel computation.

Electrocardiographic imaging (ECGI) presents a clinical opportunity to noninvasively understand the sources of arrhythmias for individual patients. To help increase the effectiveness of ECGI, we provide new ways to visualise associated measurement and modelling errors. In this paper, we study source localisation uncertainty in two steps: First, we perform Monte Carlo simulations of a simple inverse ECGI source localisation model with error sampling to understand the variations in ECGI solutions. Second, we present multiple visualisation techniques, including confidence maps, level-sets, and topology-based visualisations, to better understand uncertainty in source localization. Our approach offers a new way to study uncertainty in the ECGI pipeline.

A number of key scientific computing applications that are based upon tensor-product grid constructions, such as numerical weather prediction (NWP) and combustion simulations, require property-preserving interpolation. Essentially Non-Oscillatory (ENO) interpolation is a classic example of such interpolation schemes. In the aforementioned application areas, property preservation often manifests itself as a requirement for either data boundedness or positivity preservation. For example, in NWP, one may have to interpolate between the grid on which the dynamics is calculated to a grid on which the physics is calculated (and back). Interpolating density or other key physical quantities without accounting for property preservation may lead to negative values that are nonphysical and result in inaccurate representations and/or interpretations of the physical data. Property-preserving interpolation is straightforward when used in the context of low-order numerical simulation methods. High-order property-preserving interpolation is, however, nontrivial, especially in the case where the interpolation points are not equispaced. In this paper, we demonstrate that it is possible to construct high-order interpolation methods that ensure either data boundedness or constrained positivity preservation. A novel feature of the algorithm is that the positivity-preserving interpolant is constrained; that is, the amount by which it exceeds the data values may be strictly controlled. The algorithm we have developed comes with theoretical estimates that provide sufficient conditions for data boundedness and constrained positivity preservation. We demonstrate the application of our algorithm on a collection of 1D and 2D numerical examples, and show that in all cases property preservation is respected.

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.

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.

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.

Adaptive representations are increasingly indispensable for reducing the in-memory and on-disk footprints of large-scale data. Usual solutions are designed broadly along two themes: reducing data precision, e.g., through compression, or adapting data resolution, e.g., using spatial hierarchies. Recent research suggests that combining the two approaches, i.e., adapting both resolution and precision simultaneously, can offer significant gains over using them individually. However, there currently exist no practical solutions to creating and evaluating such representations at scale. In this work, we present a new resolution-precision-adaptive representation to support hybrid data reduction schemes and offer an interface to existing tools and algorithms. Through novelties in spatial hierarchy, our representation, Adaptive Multilinear Meshes (AMM), provides considerable reduction in the mesh size. AMM creates a piecewise multilinear representation of uniformly sampled scalar data and can selectively relax or enforce constraints on conformity, continuity, and coverage, delivering a flexible adaptive representation. AMM also supports representing the function using mixed-precision values to further the achievable gains in data reduction. We describe a practical approach to creating AMM incrementally using arbitrary orderings of data and demonstrate AMM on six types of resolution and precision datastreams. By interfacing with state-of-the-art rendering tools through VTK, we demonstrate the practical and computational advantages of our representation for visualization techniques. With an open-source release of our tool to create AMM, we make such evaluation of data reduction accessible to the community, which we hope will foster new opportunities and future data reduction schemes

The complexity of heterogeneous nodes near and at exascale has increased the need for “heroic” programming efforts. To accommodate this complexity, significant investment is required for codes not yet optimizing for low-level architecture features (e.g., wide vector units) and/or running at large-scale. This paper describes ongoing efforts to combine two codes, Hedgehog and Uintah, lying at both extremes to ease programming efforts. The end goals of this effort are (1) to combine the two codes to make an asynchronous many-task runtime system specializing in both node-level and large-scale performance and (2) to further improve the accessibility of both with portable abstractions. A prototype adopting Hedgehog in Uintah and a prototype extending Hedgehog to support MPI+X hybrid parallelism are discussed. Results achieving ∼60% of NVIDIA V100 GPU peak performance for a distributed DGEMM problem are shown for a naive MPI+Hedgehog implementation before any attempt to optimize for performance.

Authors note: This is a refereed but unpublished report that was
submitted to, reviewed for and accepted in revised form for a presentation of the same material at the Hipar Workshop at Supercomputing 21