Kinetic and Dynamic Delaunay tetrahedralizations in three dimensions

We describe the implementation of algorithms to construct and maintain three-dimensional dynamic Delaunay triangulations with kinetic vertices using a three-simplex data structure. The code is capable of constructing the geometric dual, the Voronoi or Dirichlet tessellation. Initially, a given list of points is triangulated. Time evolution of the triangulation is not only governed by kinetic vertices but also by a changing number of vertices. We use three-dimensional simplex flip algorithms, a stochastic visibility walk algorithm for point location and in addition, we propose a new simple method of deleting vertices from an existing three-dimensional Delaunay triangulation while maintaining the Delaunay property. The dual Dirichlet tessellation can be used to solve differential equations on an irregular grid, to define partitions in cell tissue simulations, for collision detection etc.Comment: 29 pg (preprint), 12 figures, 1 table Title changed (mainly nomenclature), referee suggestions included, typos corrected, bibliography update

Pseudo generators of spatial transfer operators

Metastable behavior in dynamical systems may be a significant challenge for a simulation based analysis. In recent years, transfer operator based approaches to problems exhibiting metastability have matured. In order to make these approaches computationally feasible for larger systems, various reduction techniques have been proposed: For example, Sch\"utte introduced a spatial transfer operator which acts on densities on configuration space, while Weber proposed to avoid trajectory simulation (like Froyland et al.) by considering a discrete generator. In this manuscript, we show that even though the family of spatial transfer operators is not a semigroup, it possesses a well defined generating structure. What is more, the pseudo generators up to order 4 in the Taylor expansion of this family have particularly simple, explicit expressions involving no momentum averaging. This makes collocation methods particularly easy to implement and computationally efficient, which in turn may open the door for further efficiency improvements in, e.g., the computational treatment of conformation dynamics. We experimentally verify the predicted properties of these pseudo generators by means of two academic examples

Complexity Theory

Computational Complexity Theory is the mathematical study of the intrinsic power and limitations of computational resources like time, space, or randomness. The current workshop focused on recent developments in various sub-areas including arithmetic complexity, Boolean complexity, communication complexity, cryptography, probabilistic proof systems, pseudorandomness, and quantum computation. Many of the developments are related to diverse mathematical fields such as algebraic geometry, combinatorial number theory, probability theory, representation theory, and the theory of error-correcting codes

An efficient multi-core implementation of a novel HSS-structured multifrontal solver using randomized sampling

We present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination, and exploits low-rank approximation of the resulting dense frontal matrices. We use hierarchically semiseparable (HSS) matrices, which have low-rank off-diagonal blocks, to approximate the frontal matrices. For HSS matrix construction, a randomized sampling algorithm is used together with interpolative decompositions. The combination of the randomized compression with a fast ULV HSS factorization leads to a solver with lower computational complexity than the standard multifrontal method for many applications, resulting in speedups up to 7 fold for problems in our test suite. The implementation targets many-core systems by using task parallelism with dynamic runtime scheduling. Numerical experiments show performance improvements over state-of-the-art sparse direct solvers. The implementation achieves high performance and good scalability on a range of modern shared memory parallel systems, including the Intel Xeon Phi (MIC). The code is part of a software package called STRUMPACK -- STRUctured Matrices PACKage, which also has a distributed memory component for dense rank-structured matrices

Algebra in Computational Complexity

At its core, much of Computational Complexity is concerned with combinatorial objects and structures. But it has often proven true that the best way to prove things about these combinatorial objects is by establishing a connection to a more well-behaved algebraic setting. Indeed, many of the deepest and most powerful results in Computational Complexity rely on algebraic proof techniques. The Razborov-Smolensky polynomial-approximation method for proving constant-depth circuit lower bounds, the PCP characterization of NP, and the Agrawal-Kayal-Saxena polynomial-time primality test are some of the most prominent examples. The algebraic theme continues in some of the most exciting recent progress in computational complexity. There have been significant recent advances in algebraic circuit lower bounds, and the so-called "chasm at depth 4" suggests that the restricted models now being considered are not so far from ones that would lead to a general result. There have been similar successes concerning the related problems of polynomial identity testing and circuit reconstruction in the algebraic model, and these are tied to central questions regarding the power of randomness in computation. Representation theory has emerged as an important tool in three separate lines of work: the "Geometric Complexity Theory" approach to P vs. NP and circuit lower bounds, the effort to resolve the complexity of matrix multiplication, and a framework for constructing locally testable codes. Coding theory has seen several algebraic innovations in recent years, including multiplicity codes, and new lower bounds. This seminar brought together researchers who are using a diverse array of algebraic methods in a variety of settings. It plays an important role in educating a diverse community about the latest new techniques, spurring further progress

Pointwise convergence of the Lloyd algorithm in higher dimension

We establish the pointwise convergence of the iterative Lloyd algorithm, also known as $k$-means algorithm, when the quadratic quantization error of the starting grid (with size $N\ge 2$) is lower than the minimal quantization error with respect to the input distribution is lower at level $N-1$. Such a protocol is known as the splitting method and allows for convergence even when the input distribution has an unbounded support. We also show under very light assumption that the resulting limiting grid still has full size $N$. These results are obtained without continuity assumption on the input distribution. A variant of the procedure taking advantage of the asymptotic of the optimal quantizer radius is proposed which always guarantees the boundedness of the iterated grids