Highly Parallel Geometric Characterization and Visualization of Volumetric Data Sets

Volumetric 3D data sets are being generated in many different application areas. Some examples are CAT scans and MRI data, 3D models of protein molecules represented by implicit surfaces, multi-dimensional numeric simulations of plasma turbulence, and stacks of confocal microscopy images of cells. The size of these data sets has been increasing, requiring the speed of analysis and visualization techniques to also increase to keep up. Recent advances in processor technology have stopped increasing clock speed and instead begun increasing parallelism, resulting in multi-core CPUS and many-core GPUs. To take advantage of these new parallel architectures, algorithms must be explicitly written to exploit parallelism. In this thesis we describe several algorithms and techniques for volumetric data set analysis and visualization that are amenable to these modern parallel architectures. We first discuss modeling volumetric data with Gaussian Radial Basis Functions (RBFs). RBF representation of a data set has several advantages, including lossy compression, analytic differentiability, and analytic application of Gaussian blur. We also describe a parallel volume rendering algorithm that can create images of the data directly from the RBF representation. Next we discuss a parallel, stochastic algorithm for measuring the surface area of volumetric representations of molecules. The algorithm is suitable for implementation on a GPU and is also progressive, allowing it to return a rough answer almost immediately and refine the answer over time to the desired level of accuracy. After this we discuss the concept of Confluent Visualization, which allows the visualization of the interaction between a pair of volumetric data sets. The interaction is visualized through volume rendering, which is well suited to implementation on parallel architectures. Finally we discuss a parallel, stochastic algorithm for classifying stem cells as having been grown on a surface that induces differentiation or on a surface that does not induce differentiation. The algorithm takes as input 3D volumetric models of the cells generated from confocal microscopy. This algorithm builds on our algorithm for surface area measurement and, like that algorithm, this algorithm is also suitable for implementation on a GPU and is progressive

Acceleration and Parallelization of ZENO/Walk-on-Spheres

AbstractThis paper describes our on-going work to accelerate ZENO, a software tool based on Monte Carlo methods (MCMs), used for computing material properties at nanoscale. ZENO employs three main algorithms: (1) Walk on Spheres (WoS), (2) interior sampling, and (3) surface sampling. We have accelerated the first two algorithms. For the sake of brevity, the paper will discuss our work on the first one only as it is the most commonly used and the acceleration techniques were similar in both cases.WoS is a Brownian motion MCM for solving a class of partial differential equations (PDEs). It provides a stochastic solution to a PDE by estimating the probability that a random walk, which started at infinity, will hit the surface of the material under consideration. WoS is highly effective when the problem's geometry is additive, as this greatly reduces the number of walk steps needed to achieve accurate results. The walks start on the surface of an enclosing sphere and can make much larger jumps than in a direct simulation of Brownian motion. Our current implementation represents the molecular structure of nanomaterials as a union of possibly overlapping spheres. The core processing bottleneck in WoS is a Computational Geometry one, as the algorithm repeatedly determines the distance from query point to the material surface in each step of the random walk.In this paper, we present results from benchmarking spatial data structures, including several open-source implementations of k-D trees, for accelerating WoS algorithmically. The paper also presents results from our multicore and cluster parallel implementation to show that it exhibits linear strong scaling with the number of cores and compute nodes; this implementation delivers up to 4 orders of magnitude speedup compared to the original FORTRAN code when run on 8 nodes (each with dual 6-core Intel Xeon CPUs) with 24 threads per node

A Bioinformatics 3D Cellular Morphotyping Strategy For Assessing Biomaterial Scaffold Niches

Many biomaterial scaffolds have been advanced to provide synthetic cell niches for tissue engineering and drug screening applications; however, current methods for comparing scaffold niches focus on cell functional outcomes or attempt to normalize materials properties between different scaffold formats. We demonstrate a three-dimensional (3D) cellular morphotyping strategy for comparing biomaterial scaffold cell niches between different biomaterial scaffold formats. Primary human bone marrow stromal cells (hBMSCs) were cultured on 8 different biomaterial scaffolds, including fibrous scaffolds, hydrogels, and porous sponges, in 10 treatment groups to compare a variety of biomaterial scaffolds and cell morphologies. A bioinformatics approach was used to determine the 3D cellular morphotype for each treatment group by using 82 shape metrics to analyze approximately 1000 cells. We found that hBMSCs cultured on planar substrates yielded planar cell morphotypes, while those cultured in 3D scaffolds had elongated or equiaxial cellular morphotypes with greater height. Multivariate analysis was effective at distinguishing mean shapes of cells in flat substrates from cells in scaffolds, as was the metric L1-depth (the cell height along its shortest axis after aligning cells with a characteristic ellipsoid). The 3D cellular morphotyping technique enables direct comparison of cellular microenvironments between widely different types of scaffolds and design of scaffolds based on cell structure-function relationships

Effect Of The Scaffold Microenvironment On Cell Polarizability And Capacitance Determined By Probabilistic Computations

In living systems, it is frequently stated that form follows function by virtue of evolutionary pressures on organism development, but in the study of how functions emerge at the cellular level, function often follows form. We study this chicken versus egg problem of emergent structure-property relationships in living systems in the context of primary human bone marrow stromal cells cultured in a variety of microenvironments that have been shown to cause distinct patterns of cell function and differentiation. Through analysis of a publicly available catalog of three-dimensional (3D) cell shape data, we introduce a family of metrics to characterize the \u27form\u27 of the cell populations that emerge from a variety of diverse microenvironments. In particular, measures of form are considered that are expected to have direct significance for cell function, signaling and metabolic activity: dimensionality, polarizability and capacitance. Dimensionality was assessed by an intrinsic measure of cell shape obtained from the polarizability tensor. This tensor defines ellipsoids for arbitrary cell shapes and the thinnest dimension of these ellipsoids, P 1 , defines a reference minimal scale for cells cultured in a 3D microenvironment. Polarizability governs the electric field generated by a cell, and determines the cell\u27s ability to detect electric fields. Capacitance controls the shape dependence of the rate at which diffusing molecules contact the surface of the cell, and this has great significance for inter-cellular signaling. These results invite new approaches for designing scaffolds which explicitly direct cell dimensionality, polarizability and capacitance to guide the emergence of new cell functions derived from the acquired form