Subdivision Directional Fields

We present a novel linear subdivision scheme for face-based tangent directional fields on triangle meshes. Our subdivision scheme is based on a novel coordinate-free representation of directional fields as halfedge-based scalar quantities, bridging the finite-element representation with discrete exterior calculus. By commuting with differential operators, our subdivision is structure-preserving: it reproduces curl-free fields precisely, and reproduces divergence-free fields in the weak sense. Moreover, our subdivision scheme directly extends to directional fields with several vectors per face by working on the branched covering space. Finally, we demonstrate how our scheme can be applied to directional-field design, advection, and robust earth mover's distance computation, for efficient and robust computation

Density-equalizing maps for simply-connected open surfaces

In this paper, we are concerned with the problem of creating flattening maps of simply-connected open surfaces in $\mathbb{R}^3$. Using a natural principle of density diffusion in physics, we propose an effective algorithm for computing density-equalizing flattening maps with any prescribed density distribution. By varying the initial density distribution, a large variety of mappings with different properties can be achieved. For instance, area-preserving parameterizations of simply-connected open surfaces can be easily computed. Experimental results are presented to demonstrate the effectiveness of our proposed method. Applications to data visualization and surface remeshing are explored

Gauge Invariant Framework for Shape Analysis of Surfaces

This paper describes a novel framework for computing geodesic paths in shape spaces of spherical surfaces under an elastic Riemannian metric. The novelty lies in defining this Riemannian metric directly on the quotient (shape) space, rather than inheriting it from pre-shape space, and using it to formulate a path energy that measures only the normal components of velocities along the path. In other words, this paper defines and solves for geodesics directly on the shape space and avoids complications resulting from the quotient operation. This comprehensive framework is invariant to arbitrary parameterizations of surfaces along paths, a phenomenon termed as gauge invariance. Additionally, this paper makes a link between different elastic metrics used in the computer science literature on one hand, and the mathematical literature on the other hand, and provides a geometrical interpretation of the terms involved. Examples using real and simulated 3D objects are provided to help illustrate the main ideas.Comment: 15 pages, 11 Figures, to appear in IEEE Transactions on Pattern Analysis and Machine Intelligence in a better resolutio

Isogeometric Analysis on V-reps: first results

Inspired by the introduction of Volumetric Modeling via volumetric representations (V-reps) by Massarwi and Elber in 2016, in this paper we present a novel approach for the construction of isogeometric numerical methods for elliptic PDEs on trimmed geometries, seen as a special class of more general V-reps. We develop tools for approximation and local re-parametrization of trimmed elements for three dimensional problems, and we provide a theoretical framework that fully justify our algorithmic choices. We validate our approach both on two and three dimensional problems, for diffusion and linear elasticity.Comment: 36 pages, 44 figures. Reviewed versio

Grid sensitivity for aerodynamic optimization and flow analysis

After reviewing relevant literature, it is apparent that one aspect of aerodynamic sensitivity analysis, namely grid sensitivity, has not been investigated extensively. The grid sensitivity algorithms in most of these studies are based on structural design models. Such models, although sufficient for preliminary or conceptional design, are not acceptable for detailed design analysis. Careless grid sensitivity evaluations, would introduce gradient errors within the sensitivity module, therefore, infecting the overall optimization process. Development of an efficient and reliable grid sensitivity module with special emphasis on aerodynamic applications appear essential. The organization of this study is as follows. The physical and geometric representations of a typical model are derived in chapter 2. The grid generation algorithm and boundary grid distribution are developed in chapter 3. Chapter 4 discusses the theoretical formulation and aerodynamic sensitivity equation. The method of solution is provided in chapter 5. The results are presented and discussed in chapter 6. Finally, some concluding remarks are provided in chapter 7

Atomic radius and charge parameter uncertainty in biomolecular solvation energy calculations

Atomic radii and charges are two major parameters used in implicit solvent electrostatics and energy calculations. The optimization problem for charges and radii is under-determined, leading to uncertainty in the values of these parameters and in the results of solvation energy calculations using these parameters. This paper presents a new method for quantifying this uncertainty in implicit solvation calculations of small molecules using surrogate models based on generalized polynomial chaos (gPC) expansions. There are relatively few atom types used to specify radii parameters in implicit solvation calculations; therefore, surrogate models for these low-dimensional spaces could be constructed using least-squares fitting. However, there are many more types of atomic charges; therefore, construction of surrogate models for the charge parameter space requires compressed sensing combined with an iterative rotation method to enhance problem sparsity. We demonstrate the application of the method by presenting results for the uncertainties in small molecule solvation energies based on these approaches. The method presented in this paper is a promising approach for efficiently quantifying uncertainty in a wide range of force field parameterization problems, including those beyond continuum solvation calculations.The intent of this study is to provide a way for developers of implicit solvent model parameter sets to understand the sensitivity of their target properties (solvation energy) on underlying choices for solute radius and charge parameters