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Geometric computing with chain complexes allows for the computation of the whole chain of linear spaces and (co)boundary operators generated by a space decomposition into a cell complex. The space decomposition is stored and handled with…
Large Language Models (LLMs) are used for many different software engineering tasks. In software architecture, they have been applied to tasks such as classification of design decisions, detection of design patterns, and generation of…
The universal object oriented languages made programming more simple and efficient. In the article is considered possibilities of using similar methods in computer algebra. A clear and powerful universal language is useful if particular…
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…
Large language models (LLMs) are playing an increasingly important role in science and engineering. For example, their ability to parse and understand human and computer languages makes them powerful interpreters and their use in…
This paper considers how a formal mathematically-based model can be used in support of evolutionary software development, and in particular how such a model can be kept consistent with the implementation as it changes to meet new…
This work introduces CLBlast, an open-source BLAS library providing optimized OpenCL routines to accelerate dense linear algebra for a wide variety of devices. It is targeted at machine learning and HPC applications and thus provides a fast…
Software Engineering Discipline is constantly achieving momentum from past two decades. In last decade, remarkable progress has been observed. New process models that are introduced from time to time in order to keep pace with…
When building Deep Learning (DL) models, data scientists and software engineers manage the trade-off between their accuracy, or any other suitable success criteria, and their complexity. In an environment with high computational power, a…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
This is a user guide for the first version of our developed Maple library, named Singularity. The first version here is designed for the qualitative study of local real zeros of scalar smooth maps. This library will be extended for symbolic…
In the last 15 years, software architecture has emerged as an important software engineering field for managing the development and maintenance of large, software- intensive systems. Software architecture community has developed numerous…
Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in…
As Graph Neural Networks (GNNs) become popular, libraries like PyTorch-Geometric (PyG) and Deep Graph Library (DGL) are proposed; these libraries have emerged as the de facto standard for implementing GNNs because they provide…
In this paper, we tackle the problem of automatically generating algorithms for linear algebra operations by taking advantage of problem-specific knowledge. In most situations, users possess much more information about the problem at hand…
"Evolution behaves like a tinkerer" (Francois Jacob, Science, 1977). Software systems provide a unique opportunity to understand biological processes using concepts from network theory. The Debian GNU/Linux operating system allows us to…
While mixed-integer linear programming and convex programming solvers have advanced significantly over the past several decades, solution technologies for general mixed-integer nonlinear programs (MINLPs) have yet to reach the same level of…
Great progress has been made in quantum computing in recent years, providing opportunities to overcome computation resource poverty in many scientific computations like computational fluid dynamics (CFD). In this work, efforts are made to…
The embedding of fault tolerance provisions into the application layer of a programming language is a non-trivial task that has not found a satisfactory solution yet. Such a solution is very important, and the lack of a simple, coherent and…
Runge-Kutta formulas are some of the workhorses of numerical solving of differential equations. However, they are extremely difficult to generate; the algebra involved can be very complicated indeed. It is now standard, following the work…