Related papers: XPPLORE: Import, visualize, and analyze XPPAUT dat…

Augmenting mechanistic ordinary differential equation (ODE) models with machine-learnable structures is an novel approach to create highly accurate, low-dimensional models of engineering systems incorporating both expert knowledge and…

At present each neutron scattering facility has its own set of data treatment software, normally based on a proprietary data format. The travelling scientist is either forced to continually learn new software or to write conversion routines…

We present an XML-based simulation authoring environment. The proposed description language allows to describe mathematical objects such as systems of ordinary differential equations, partial differential equations in two dimensions, or…

OPM is a small collection of CUTEst unconstrained and bound-constrained nonlinear optimization problems, which can be used in Matlab for testing optimization algorithms directly (i.e. without installing additional software).

This paper introduces zonoLAB, a MATLAB-based toolbox for set-based control system analysis using the hybrid zonotope set representation. Hybrid zonotopes have proven to be an expressive set representation that can exactly represent the…

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

Modeling sequence evolution on phylogenetic trees is a useful technique in computational biology. Especially powerful are models which take account of the heterogeneous nature of sequence evolution according to the "grammar" of the encoded…

Polylab is a MATLAB toolbox for multivariate polynomial scalars and polynomial matrices with a unified symbolic-numeric interface across CPU and GPU-oriented backends. The software exposes three aligned classes: MPOLY for CPU execution,…

Fast, incremental evolution of physics instrumentation raises the question of efficient software abstraction and transferability of algorithms across similar technologies. This contribution aims to provide an answer by introducing Track…

Progress in hardware, algorithms, and force fields are pushing the scope of molecular dynamics (MD) simulations towards the length- and time scales of complex biochemical processes. This creates a need for developing advanced analysis…

With the rise of XML as a standard for representing business data, XML data warehouses appear as suitable solutions for Web-based decision-support applications. In this context, it is necessary to allow OLAP analyses over XML data cubes…

ExaHyPE ("An Exascale Hyperbolic PDE Engine") is a software engine for solving systems of first-order hyperbolic partial differential equations (PDEs). Hyperbolic PDEs are typically derived from the conservation laws of physics and are…

In this paper, we argue that database systems be augmented with an automated data exploration service that methodically steers users through the data in a meaningful way. Such an automated system is crucial for deriving insights from…

Topological data analysis provides a collection of tools to encapsulate and summarize the shape of data. Currently it is mainly restricted to \emph{mapper algorithm} and \emph{persistent homology}. In this paper we introduce new…

Convex optimization is an essential tool for machine learning, as many of its problems can be formulated as minimization problems of specific objective functions. While there is a large variety of algorithms available to solve convex…

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

Dimensionality reduction and clustering techniques are frequently used to analyze complex data sets, but their results are often not easy to interpret. We consider how to support users in interpreting apparent cluster structure on scatter…

We introduce OCULAR, an innovative hardware and software solution for three-dimensional dynamic image analysis of fine particles. Current state-of-the art instruments for dynamic image analysis are largely limited to two-dimensional…

In recent years, researchers have proposed a number of automated tools to identify and improve floating-point rounding error in mathematical expressions. However, users struggle to effectively apply these tools. In this paper, we work with…

Exploratory analysis of a text corpus is essential for assessing data quality and developing meaningful hypotheses. Text analysis relies on understanding documents through structured attributes spanning various granularities of the…