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With the decline of Moore's law, optimizing program performance has become a major focus of software research. However, high-level optimizations such as API and algorithm changes remain elusive due to the difficulty of understanding the…
Mathematical formulae carry complex and essential semantic information in a variety of formats. Accessing this information with different systems requires a standardized machine-readable format that is capable of encoding presentational and…
The paper introduces a novel representation for Generalized Planning (GP) problems, and their solutions, as C++ programs. Our C++ representation allows to formally proving the termination of generalized plans, and to specifying their…
Dialogue systems is an increasingly popular task of natural language processing. However, the dialogue paths tend to be deterministic, restricted to the system rails, regardless of the given request or input text. Recent advances in program…
Quantum computing is a promising approach of computation that is based on equations from Quantum Mechanics. A simulator for quantum algorithms must be capable of performing heavy mathematical matrix transforms. The design of the simulator…
Large language models (LLMs) have shown remarkable capabilities in code translation, yet their performance deteriorates in low-resource programming domains such as Fortran and emerging frameworks like CUDA, where high-quality parallel data…
ROOT is a data analysis framework broadly used in and outside of High Energy Physics (HEP). Since HEP software frameworks always strive for performance improvements, ROOT was extended with experimental support of runtime C++ Modules. C++…
Mathematical models are increasingly used in both academia and the pharmaceutical industry to understand how phenotypes emerge from systems of molecular interactions. However, their current construction as monolithic sets of equations…
This article introduces 'cpp11armadillo', a new R package that integrates the powerful Armadillo C++ library for linear algebra into the R programming environment. Targeted primarily at social scientists and other non-programmers, this…
To harness the potential of advanced computing technologies, efficient (real time) analysis of large amounts of data is as essential as are front-line simulations. In order to optimise this process, experts need to be supported by…
Current compiler optimization reports often present complex, technical information that is difficult for programmers to interpret and act upon effectively. This paper assesses the capability of large language models (LLM) to understand…
We present ensmallen, a fast and flexible C++ library for mathematical optimization of arbitrary user-supplied functions, which can be applied to many machine learning problems. Several types of optimizations are supported, including…
High Performance Computing is notorious for its long and expensive software development cycle. To address this challenge, we present Bind: a "partitioned global workflow" parallel programming model for C++ applications that enables quick…
We overview the ensmallen numerical optimization library, which provides a flexible C++ framework for mathematical optimization of user-supplied objective functions. Many types of objective functions are supported, including general,…
\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods…
We desribe how we extend R with an external C++ code library by using the Rcpp package. Our working example uses the recent machine learning library and application 'Corels' providing optimal yet easily interpretable rule lists…
Multi-dimensional arrays are ubiquitous in high-performance computing (HPC), but their absence from the C++ language standard is a long-standing and well-known limitation of their use for HPC. This paper describes the design and…
Large language models (LLMs) show promise in code translation due to their ability to generate idiomatic code. However, a significant limitation when using LLMs for code translation is scalability: existing works have shown a drop in…
In this paper we introduce an open-source software package written in C++ for efficiently finding solutions to quadratic programming problems with linear complementarity constraints. These problems arise in a wide range of applications in…
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open-source plug-in that provides some of the most popular molecular dynamics (MD) codes with implementations of a…