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The standardization of an interface for dense linear algebra operations in the BLAS standard has enabled interoperability between different linear algebra libraries, thereby boosting the success of scientific computing, in particular in…
This work introduces a new software package `Sesame' for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain…
Motivated by risk assessment of coastal flooding, we consider time-consuming simulators with a spatial output. The aim is to perform sensitivity analysis (SA), quantifying the influence of input parameters on the output. There are three…
Stationary subspace analysis (SSA) is a blind source separation framework that decomposes linearly mixed multivariate data into stationary and nonstationary components. We extend SSA to spatially indexed data by introducing spatial…
Any optimization algorithm programming interface can be seen as a black-box function with additional free parameters. In this spirit, simulated annealing (SA) can be implemented in pseudo-code within the dimensions of a single slide with…
Developers today use significant amounts of open source code, surfacing the need for ways to automatically audit and upgrade library dependencies, and giving rise to the subfield of Software Composition Analysis (SCA). SCA products are…
Modern machine learning solutions require extensive data collection where labeling remains costly. To reduce this burden, open set active learning approaches aim to select informative samples from a large pool of unlabeled data that…
R is a popular language and programming environment for data scientists. It is increasingly co-packaged with both relational and Hadoop-based data platforms and can often be the most dominant computational component in data analytics…
We proposes a platform which can generate hardware/software description based on flexible in-struction set architectures (ISAs). The platform takes advantage of the flexibility of field pro-grammable gate array (FPGA) to design many micro…
High-fidelity simulations and physical experiments are essential for engineering analysis and design, yet their high cost often makes two critical tasks--global sensitivity analysis (GSA) and optimization--prohibitively expensive. This…
In many applications free surface flow through rigid porous media has to be modeled. Examples refer to coastal engineering applications as well as geotechnical or biomedical applications. Albeit the frequent applications, slight…
A tutorial of the Mathematica package CGAlgebra, for conformal geometric algebra calculations is presented. Using rule-based programming, the 5-dimensional conformal geometric algebra is implemented and defined functions simplify the…
This paper presents the acados software package, a collection of solvers for fast embedded optimization intended for fast embedded applications. Its interfaces to higher-level languages make it useful for quickly designing an…
We present our implementation autoCAS for fully automated multi-configurational calculations, which we also make available free of charge on our webpages. The graphical user interface of autoCAS connects a general electronic structure…
An alias table is a data structure that allows for efficiently drawing weighted random samples in constant time and can be constructed in linear time. The PSA algorithm by H\"ubschle-Schneider and Sanders is able to construct alias tables…
We present Clinica (www.clinica.run), an open-source software platform designed to make clinical neuroscience studies easier and more reproducible. Clinica aims for researchers to i) spend less time on data management and processing, ii)…
Planning empirical experiments such as clinical trials or A/B tests requires sample size determination, which in many interesting cases has no closed-form solution (e.g. factorial or adaptive designs). adsasi is a new R package that enables…
We present the W-SLDA Toolkit, a general-purpose software package for simulating ultracold Fermi gases within the framework of density functional theory and its time-dependent extensions. The toolkit enables fully microscopic studies of…
In computational science and in computer science, research software is a central asset for research. Computational science is the application of computer science and software engineering principles to solving scientific problems, whereas…
This report provides an introduction to the ensmallen numerical optimization library, as well as a deep dive into the technical details of how it works. The library provides a fast and flexible C++ framework for mathematical optimization of…