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The article presents the torchosr package - a Python package compatible with PyTorch library - offering tools and methods dedicated to Open Set Recognition in Deep Neural Networks. The package offers two state-of-the-art methods in the…

Motivated by the growing demand for low-precision arithmetic in computational science, we exploit lower-precision emulation in Python -- widely regarded as the dominant programming language for numerical analysis and machine learning.…

Elliptic Curve Cryptography (ECC) is an encryption method that provides security comparable to traditional techniques like Rivest-Shamir-Adleman (RSA) but with lower computational complexity and smaller key sizes, making it a competitive…

Modern deep learning frameworks provide imperative, eager execution programming interfaces embedded in Python to provide a productive development experience. However, deep learning practitioners sometimes need to capture and transform…

Elegant is an accelerator physics and particle-beam dynamics code widely used for modeling and design of a variety of high-energy particle accelerators and accelerator-based systems. In this paper we discuss a recently developed version of…

We present NeuralMag, a flexible and high-performance open-source Python library for micromagnetic simulations. NeuralMag leverages modern machine learning frameworks, such as PyTorch and JAX, to perform efficient tensor operations on…

We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…

Thermal microstructures are artificially engineered materials designed to manipulate and control heat flow in unconventional ways. This paper presents an educational framework, called \emph{OpenTM}, to use a single GPU for designing…

We present the capabilities and results of the Parallel Edge-based Tool for Geophysical Electromagnetic modeling (PETGEM), as well as the physical and numerical foundations upon which it has been developed. PETGEM is an open-source and…

Electrocardiogram (ECG) is a widely used tool for assessing cardiac function due to its low cost and accessibility. Emergent research shows that ECGs can help make predictions on key outcomes traditionally derived from more complex…

We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern versions of QMC algorithms in an accessible format, enabling…

High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…

Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Graphics Processing Units (GPUs) are now powerful and flexible systems adapted and used for other purposes than graphics calculations (General Purpose computation on GPU -- GPGPU). We present here a prototype to be integrated into…

In the next decade, the demands for computing in large scientific experiments are expected to grow tremendously. During the same time period, CPU performance increases will be limited. At the CERN Large Hadron Collider (LHC), these two…

General-purpose Computing on Graphics Processing Units (GPGPU) has been introduced to many areas of scientific research such as bioinformatics, cryptography, computer vision, and deep learning. However, computing models in the High-energy…

The paper presents investigations on the implementation and performance of the finite element numerical integration algorithm for first order approximations and three processor architectures, popular in scientific computing, classical CPU,…

Electrocardiogram (ECG), a non-invasive and affordable tool for cardiac monitoring, is highly sensitive in detecting acute heart attacks. However, due to the lengthy nature of ECG recordings, numerous machine learning methods have been…

Computational models of atrial electrophysiology (EP) are increasingly utilized for applications such as the development of advanced mapping systems, personalized clinical therapy planning, and the generation of virtual cohorts and digital…

The KeOps library provides a fast and memory-efficient GPU support for tensors whose entries are given by a mathematical formula, such as kernel and distance matrices. KeOps alleviates the major bottleneck of tensor-centric libraries for…