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We present a novel distributed computing framework that is robust to slow compute nodes, and is capable of both approximate and exact computation of linear operations. The proposed mechanism integrates the concepts of randomized sketching…
The Slater-type orbital basis with non-integer principal quantum numbers is a physically and mathematically motivated choice for molecular electronic structure calculations in both non-relativistic and relativistic theory. The…
In this paper, we introduce PASGAL (Parallel And Scalable Graph Algorithm Library), a parallel graph library that scales to a variety of graph types, many processors, and large graph sizes. One special focus of PASGAL is the efficiency on…
We demonstrate that general-purpose memory allocation involving many threads on many cores can be done with high performance, multicore scalability, and low memory consumption. For this purpose, we have designed and implemented scalloc, a…
In this paper, we are concerned with the micro-macro Parareal algorithm for the simulation of initial-value problems. In this algorithm, a coarse (fast) solver is applied sequentially over the time domain, and a fine (time-consuming) solver…
We present a GPU-accelerated backend for QOCO, a C-based solver for quadratic objective second-order cone programs (SOCPs) based on a primal-dual interior point method. Our backend uses NVIDIA's cuDSS library to perform a direct sparse LDL…
Entropy coding is essential to data compression, image and video coding, etc. The Range variant of Asymmetric Numeral Systems (rANS) is a modern entropy coder, featuring superior speed and compression rate. As rANS is not designed for…
Previously proposed quantum algorithms for solving linear systems of equations cannot be implemented in the near term due to the required circuit depth. Here, we propose a hybrid quantum-classical algorithm, called Variational Quantum…
The parareal algorithm is known to allow for a significant reduction in wall clock time for accurate numerical solutions by parallelising across the time dimension. We present and test a micro-macro version of parareal, in which the fine…
Recently, we have developed an efficient generic partition refinement algorithm, which computes behavioural equivalence on a state-based system given as an encoded coalgebra, and implemented it in the tool CoPaR. Here we extend this to a…
Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a…
Parallel imaging is ubiquitous in MRI, enabling diverse applications such as ultra-high-resolution functional and quantitative imaging with greater temporal resolution or reduced scan times respectively. Successful unfolding is contingent…
We present a novel class of methods to compute functions of matrices or their action on vectors that are suitable for parallel programming. Solving appropriate simple linear systems of equations in parallel (or computing the inverse of…
Fortran's prominence in scientific computing requires strategies to ensure both that legacy codes are efficient on high-performance computing systems, and that the language remains attractive for the development of new high-performance…
Decades of advances in mixed-integer linear programming (MILP) and recent development in mixed-integer second-order-cone programming (MISOCP) have translated very mildly to progresses in global solving nonconvex mixed-integer quadratically…
The Massive Parallel Computation (MPC) model is a theoretical framework for popular parallel and distributed platforms such as MapReduce, Hadoop, or Spark. We consider the task of computing a large matching or small vertex cover in this…
I provide an alternative way of seeing quantum computation. First, I describe an idealized classical problem solving machine that, thanks to a many body interaction, reversibly and nondeterministically produces the solution of the problem…
We discuss a numerical package, named ORTHOCUB, for the computation of linear functionals of both integral and differential type on multivariate polynomial spaces. The weighted sums corresponding to such integral and differential cubatures…
Relativistic corrections to the evolution of structure can be used to test general relativity on cosmological scales. They are also a well-known systematic contamination in the search for a primordial non-Gaussian signal. We present a…
We present OpenRBC, a coarse-grained molecular dynamics code, which is capable of performing an unprecedented in silico experiment --- simulating an entire mammal red blood cell lipid bilayer and cytoskeleton as modeled by 4 million…