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We introduce ninfty, a header-only C++ library distributed under an MIT Open Source License designed for the study of enumeration problems arising in homotopical combinatorics. The ninfty repository moreover contains a folder with data…
ABCpy is a highly modular scientific library for Approximate Bayesian Computation (ABC) written in Python. The main contribution of this paper is to document a software engineering effort that enables domain scientists to easily apply ABC…
The introduction of large language models and other influential developments in AI-based language processing have led to an evolution in the methods available to quantitatively analyse language data. With the resultant growth of attention…
In this work we present kiwiPy, a Python library designed to support robust message based communication for high-throughput, big-data, applications while being general enough to be useful wherever high-volumes of messages need to be…
This paper presents, to the author's knowledge, the first graphics processing unit (GPU) accelerated program that solves the evolution of interacting scalar fields in an expanding universe. We present the implementation in NVIDIA's Compute…
We introduce GraSPy, a Python library devoted to statistical inference, machine learning, and visualization of random graphs and graph populations. This package provides flexible and easy-to-use algorithms for analyzing and understanding…
Licas (lightweight internet-based communication for autonomic services) is a distributed framework for building service-based systems. The framework provides a p2p server and more intelligent processing of information through its AI…
Heterogeneous nodes that combine multi-core CPUs with diverse accelerators are rapidly becoming the norm in both high-performance computing (HPC) and AI infrastructures. Exploiting these platforms, however, requires orchestrating several…
Today's programmers, especially data science practitioners, make heavy use of data-processing libraries (APIs) such as PyTorch, Tensorflow, NumPy, Pandas, and the like. Program synthesizers can provide significant coding assistance to this…
The Lattice Boltzmann Method (LBM) is a computational technique of Computational Fluid Dynamics (CFD) that has gained popularity due to its high parallelism and ability to handle complex geometries with minimal effort. Although LBM…
One of the key requirements for the Lattice QCD Application Development as part of the US Exascale Computing Project is performance portability across multiple architectures. Using the Grid C++ expression template as a starting point, we…
Python is a popular programming language known for its flexibility, usability, readability, and focus on developer productivity. The quantum software community has adopted Python on a number of large-scale efforts due to these…
We present a newly developed software package which implements a wide range of routines frequently used in Weak Gravitational Lensing (WL). With the continuously increasing size of the WL scientific community we feel that easy to use…
The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core GPUs, exploiting…
The Gauge Connection at qcd.nersc.gov is one of the most popular repositories of QCD lattice ensembles. It is used to access 16TB of archived QCD data from the High Performance Storage System (HPSS) at the National Energy Research…
We present the results of an effort to accelerate a Rational Hybrid Monte Carlo (RHMC) program for lattice quantum chromodynamics (QCD) simulation for 2 flavours of staggered fermions on multiple Kepler K20X GPUs distributed on different…
A popular approach to deploying scientific applications in high performance computing (HPC) is Linux containers, which package an application and all its dependencies as a single unit. This image is built by interpreting instructions in a…
We present the International Lattice Data Grid (ILDG), a loosely federated grid of grids for sharing data from Lattice Quantum Chromodynamics (LQCD) simulations. The ILDG comprises of metadata, file format and web-service standards, which…
The Python package fluidfft provides a common Python API for performing Fast Fourier Transforms (FFT) in sequential, in parallel and on GPU with different FFT libraries (FFTW, P3DFFT, PFFT, cuFFT). fluidfft is a comprehensive FFT framework…
In the expanding field of Quantum Computing (QC), efficient and seamless integration of QC and high performance computing (HPC) elements (e.g., quantum hardware, classical hardware, and software infrastructure on both sides) plays a crucial…