Related papers: XMDS2: Fast, scalable simulation of coupled stocha…
Semidefinite programming (SDP) is a powerful framework from convex optimization that has striking potential for data science applications. This paper develops a provably correct randomized algorithm for solving large, weakly constrained SDP…
Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…
There exist various Software Development Kits (SDKs) tailored to different quantum computing platforms. These are known as Quantum SDKs (QSDKs). Examples include but are not limited to Qiskit, Cirq, and PennyLane. However, this diversity…
We present a method for solving the general mixed constrained convex quadratic programming problem using an active set method on the dual problem. The approach is similar to existing active set methods, but we present a new way of solving…
RUMD is a general purpose, high-performance molecular dynamics (MD) simulation package running on graphical processing units (GPU's). RUMD addresses the challenge of utilizing the many-core nature of modern GPU hardware when simulating…
High-performance computing are based more and more in heterogeneous architectures and GPGPUs have become one of the main integrated blocks in these, as the recently emerged Mali GPU in embedded systems or the NVIDIA GPUs in HPC servers. In…
The study deals with the parallelization of 2D and 3D finite element based Navier-Stokes codes using direct solvers. Development of sparse direct solvers using multifrontal solvers has significantly reduced the computational time of direct…
Designing scalable estimation algorithms is a core challenge in modern statistics. Here we introduce a framework to address this challenge based on parallel approximants, which yields estimators with provable properties that operate on the…
Recently, research communities highlight the necessity of formulating a scalability continuum for large-scale graph processing, which gains the scale-out benefits from distributed graph systems, and the scale-up benefits from…
Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…
The MPLAPACK (formerly MPACK) is a multiple-precision version of LAPACK (https://www.netlib.org/lapack/). MPLAPACK version 2.0.1 is based on LAPACK version 3.9.1 and translated from Fortran 90 to C++ using FABLE, a Fortran to C++…
Designing a scientific software stack to meet the needs of the next-generation of mesh-based simulation demands, not only scalable and efficient mesh and data management on a wide range of platforms, but also an abstraction layer that makes…
In this paper, a comprehensive performance review of a MPI-based high-order spectral and mortar element method C++ toolbox is presented. The focus is put on the performance evaluation of several aspects with a particular emphasis on the…
We present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use…
Matrix-multiplication units (MXUs) are now prevalent in every computing platform. The key attribute that makes MXUs so successful is the semiring structure, which allows tiling for both parallelism and data reuse. Nonetheless,…
Building on the recently developed theory of magnitude, we introduce the optimization algorithm EXPLO2 and carefully benchmark it. EXPLO2 advances the state of the art for optimizing high-dimensional ($D \gtrapprox 40$) multimodal functions…
The goal of this work is to parallelize the multistep scheme for the numerical approximation of the backward stochastic differential equations (BSDEs) in order to achieve both, a high accuracy and a reduction of the computation time as…
In contrast with many other convex optimization classes, state-of-the-art semidefinite programming solvers are yet unable to efficiently solve large scale instances. This work aims to reduce this scalability gap by proposing a novel…
The time-dependent matrix-product-state (TDMPS) simulation method has been used for numerically simulating quantum computing for a decade. We introduce our C++ library ZKCM_QC developed for multiprecision TDMPS simulations of quantum…
We present a set of algorithms implementing multidimensional scaling (MDS) for large data sets. MDS is a family of dimensionality reduction techniques using a $n \times n$ distance matrix as input, where $n$ is the number of individuals,…