Related papers: Updated Core Libraries of the ALPS Project
Learning continually from non-stationary data streams is a long-standing goal and a challenging problem in machine learning. Recently, we have witnessed a renewed and fast-growing interest in continual learning, especially within the deep…
This paper introduces the first, open source software library for Constraint Consistent Learning (CCL). It implements a family of data-driven methods that are capable of (i) learning state-independent and -dependent constraints, (ii)…
The ATLAS experiment at the LHC is building several detector systems for forward physics studies and to determine the luminosity. The main forward systems consist of a Cerenkov detector called LUCID, a Zero Degree Calorimeter (ZDC) and…
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provides a modular, portable collection of high-performance…
Most existing implementations of multiple precision arithmetic demand that the user sets the precision {\em a priori}. Some libraries are said adaptable in the sense that they dynamically change the precision of each intermediate operation…
TorchOptics is an open-source Python library for differentiable Fourier optics simulations, developed using PyTorch to enable GPU-accelerated tensor computations and automatic differentiation. It provides a comprehensive framework for…
The traditional foundation of science lies on the cornerstones of theory and experiment. Theory is used to explain experiment, which in turn guides the development of theory. Since the advent of computers and the development of…
A C++ library ZKCM and its extension library ZKCM_QC have been developed since 2011 for multiple-precision matrix computation and accurate matrix-product-state (MPS) quantum circuit simulation, respectively. In this report, a recent…
You have an environment, a model, and a reinforcement learning library that are designed to work together but don't. PufferLib makes them play nice. The library provides one-line environment wrappers that eliminate common compatibility…
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…
The astronomy, astroparticle and particle physics communities are brought together through the ESCAPE (European Science Cluster of Astronomy and Particle Physics ESFRI research infrastructures) project to create a cluster focused on common…
This article outlines how the quantum Monte Carlo directed loop update recently introduced can be applied to a wide class of quantum lattice models. Several models are considered: Spin-S XXZ models with longitudinal and transverse magnetic…
The multi-GPU open-source package QCDGPU for lattice Monte Carlo simulations of pure SU(N) gluodynamics in external magnetic field at finite temperature and O(N) model is developed. The code is implemented in OpenCL, tested on AMD and…
LAMMPS is a widely popular classical Molecular Dynamics package. It was designed for materials modeling but it is well prepared for simulations in Soft Matter. The use packages like LAMMPS has advantages and disadvantages. The main…
This paper introduces the notion of Constrained Locating Arrays (CLAs), mathematical objects which can be used for fault localization in software testing. CLAs extend ordinary locating arrays to make them applicable to testing of systems…
This paper provides an overview of the 2.0 release of the ArborX library, a performance portable geometric search library based on Kokkos. We describe the major changes in ArborX 2.0 including a new interface for the library to support a…
There is an increasing number of algorithmic computations in theoretical physics. These, while conceptually simple, can nevertheless be time-consuming and contain subtleties that should not be overlooked. Given the recent improvement of…
This paper introduces a library for cross-simulator comparison of reinforcement learning models in traffic signal control tasks. This library is developed to implement recent state-of-the-art reinforcement learning models with extensible…
The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its…
In recent years dynamical systems (of deterministic and stochastic nature), describing many models in mathematics, physics, engineering and finances, become more and more complex. Numerical analysis narrowed only to deterministic algorithms…