Representing an atom by a solid sphere in $3$-dimensional Euclidean space, we get the space-filling diagram of a molecule by taking the union. Molecular dynamics simulates its motion subject to bonds and other forces, including the solvation free energy. The morphometric approach [HRC13,RHK06] writes the latter as a linear combination of weight
Weighted Gaussian Curvature is an important measurement for images. However, its conventional computation scheme has low performance, low accuracy and requires that the input image must be second order differentiable. To tackle these three issues, we propose a novel discrete computation scheme for the weighted Gaussian curvature. Our scheme does not require the second order differentiability. Moreover, our scheme is more accurate, has smaller support region and computationally more efficient than the conventional schemes. Therefore, our scheme holds promise for a large range of applications where the weighted Gaussian curvature is needed, for example, image smoothing, cartoon texture decomposition, optical flow estimation, etc.
In this thesis we study one of the fundamental predicates required for the construction of the 3D Apollonius diagram (also known as the 3D Additively Weighted Voronoi diagram), namely the EDGECONFLICT predicate: given five sites $S_i, S_j,S_k,S_l,S_m$ that define an edge $e_{ijklm}$ in the 3D Apollonius diagram, and a sixth query site $S_q$, the predicate determines the portion of $e_{ijklm}$ that will disappear in the Apollonius diagram of the six sites due to the insertion of $S_q$. Our focus is on the algorithmic analysis of the predicate with the aim to minimize its algebraic degree. We decompose the main predicate into sub-predicates, which are then evaluated with the aid of additional primitive operations. We show that the maximum algebraic degree required to answer any of the sub-predicates and primitives, and, thus, our main predicate is 10 in non-degenerate configurations when the trisector is of Hausdorff dimension 1. We also prove that all subpredicates developed can be evaluated using 10 or 8-degree demanding operations for degenerate input for these trisector types, depending on whether they require the evaluation of an intermediate INSPHERE predicate or not. Among the tools we use is the 3D inversion transformation and the so-called qualitative symbolic perturbation scheme. Most of our analysis is carried out in the inverted space, which is where our geometric observations and analysis is captured in algebraic terms.
Throughout this paper, a persistence diagram ${cal P}$ is composed of a set $P$ of planar points (each corresponding to a topological feature) above the line $Y=X$, as well as the line $Y=X$ itself, i.e., ${cal P}=Pcup{(x,y)|y=x}$. Given a set of persistence diagrams ${cal P}_1,...,{cal P}_m$, for the data reduction purpose, one way to summarize their topological features is to compute the {em center} ${cal C}$ of them first under the bottleneck distance. We consider two discre
We address the problem of curvature estimation from sampled compact sets. The main contribution is a stability result: we show that the gaussian, mean or anisotropic curvature measures of the offset of a compact set K with positive $mu$-reach can be estimated by the same curvature measures of the offset of a compact set K close to K in the Hausdorff sense. We show how these curvature measures can be computed for finite unions of balls. The curvature measures of the offset of a compact set with positive $mu$-reach can thus be approximated by the curvature measures of the offset of a point-cloud sample. These results can also be interpreted as a framework for an effective and robust notion of curvature.