Related papers: Updated Core Libraries of the ALPS Project
Dense linear algebra libraries, such as BLAS and LAPACK, provide a relevant collection of numerical tools for many scientific and engineering applications. While there exist high performance implementations of the BLAS (and LAPACK)…
There is significant interest in rapid protein simulations because of the time-scale limitations of all-atom methods. Exploiting the low cost and great availability of computer memory, we report a Monte Carlo technique for incorporating…
Monte Carlo (MC) simulations of lattice models are a widely used way to compute thermodynamic properties of substitutional alloys. A limitation to their more widespread use is the difficulty of driving a MC simulation in order to obtain the…
Reed-Solomon (RS) codes have been increasingly adopted by distributed storage systems in place of replication,because they provide the same level of availability with much lower storage overhead. However, a key drawback of those RS-coded…
SOL is an open-source library for scalable online learning algorithms, and is particularly suitable for learning with high-dimensional data. The library provides a family of regular and sparse online learning algorithms for large-scale…
Since the {\tt KKMC} program was published for the first time over 20 years ago, it has gained popularity and was exploited in a broad spectrum of applications. The core part of the program itself did not change much. In contrast, some of…
Archimedes is the GNU package for Monte Carlo simulations of electron transport in semiconductor devices. The first release appeared in 2004 and since then it has been improved with many new features like quantum corrections, magnetic…
We present GURLS, a least squares, modular, easy-to-extend software library for efficient supervised learning. GURLS is targeted to machine learning practitioners, as well as non-specialists. It offers a number state-of-the-art training…
NIMS-OS (NIMS Orchestration System) is a Python library created to realize a closed loop of robotic experiments and artificial intelligence (AI) without human intervention for automated materials exploration. It uses various combinations of…
Computer models of humans are ubiquitous throughout computer animation and computer vision. However, these models rarely represent the dynamics of human motion, as this requires adding a complex layer that solves body motion in response to…
Fully automatic worst-case complexity analysis has a number of applications in computer-assisted program manipulation. A classical and powerful approach to complexity analysis consists in formally deriving, from the program syntax, a set of…
Recent efforts for the improvement of the accuracy of physics data libraries used in particle transport are summarized. Results are reported about a large scale validation analysis of atomic parameters used by major Monte Carlo systems…
Planning high-energy collision experiments for the next few decades requires extensive Monte Carlo simulations in order to accomplish physics goals of these experiments. Such simulations are essential for understanding fundamental physics…
Porting applications to new hardware or programming models is a tedious and error prone process. Every help that eases these burdens is saving developer time that can then be invested into the advancement of the application itself instead…
Active Learning (AL) is a family of machine learning (ML) algorithms that predates the current era of artificial intelligence. Unlike traditional approaches that require labeled samples for training, AL iteratively selects unlabeled samples…
SciPy is an open source scientific computing library for the Python programming language. SciPy 1.0 was released in late 2017, about 16 years after the original version 0.1 release. SciPy has become a de facto standard for leveraging…
PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…
The Astrophysics Source Code Library (ASCL) contains 3000 metadata records about astrophysics research software and serves primarily as a registry of software, though it also can and does accept code deposit. Though the ASCL was started in…
The nonequilibrium dynamics of correlated many-particle systems is of interest in connection with pump-probe experiments on molecular systems and solids, as well as theoretical investigations of transport properties and relaxation…
We describe Active Libraries, which take an active role in compilation. Unlike traditional libraries which are passive collections of functions and objects, Active Libraries may generate components, specialize algorithms, optimize code,…