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Developing efficient parallel applications is critical to advancing scientific development but requires significant performance analysis and optimization. Performance analysis tools help developers manage the increasing complexity and scale…
Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…
ergodicity is an open-source Python library for computational work on stochastic dynamics, with particular emphasis on non-ergodicity, time-average behavior, heavy-tailed processes, and decision making under uncertainty. The package brings…
With its ever growing popularity, providing Internet based applications tuned towards practical applications is on the rise. Advantages such as no external plugins and additional software, ease of use, updating and maintenance have…
Dynamic program analysis (also known as profiling) is well-known for its powerful capabilities of identifying performance inefficiencies in software packages. Although a large number of dynamic program analysis techniques are developed in…
Geographic Information Systems (GIS) are widely used in different domains of applications, such as maritime navigation, museums visits and route planning, as well as ecological, demographical and economical applications. Nowadays,…
The proliferation of physiological sensors opens new opportunities to explore interactions, conduct experiments and evaluate the user experience with continuous monitoring of bodily functions. Commercial devices, however, can be costly or…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
The availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and…
`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…
This paper introduces pycvxset, a new Python package to manipulate and visualize convex sets. We support polytopes and ellipsoids, and provide user-friendly methods to perform a variety of set operations. For polytopes, pycvxset supports…
Power system operators need new, efficient operational tools to use the flexibility of distributed resources and deal with the challenges of highly uncertain and variable power systems. Transmission system operators can consider the…
Large language models (LLMs) have been explored in a variety of reasoning tasks including solving of mathematical problems. Each math dataset typically includes its own specially designed evaluation script, which, while suitable for its…
ScopeSim is a flexible multipurpose instrument data simulation framework built in Python. It enables both raw and reduced observation data to be simulated for a wide range of telescopes and instruments quickly and efficiently on a personal…
Specialized accelerators provide gains of performance and efficiency in specific domains of applications. Sparse data structures or/and representations exist in a wide range of applications. However, it is challenging to design accelerators…
PySensors is a Python package for selecting and placing a sparse set of sensors for classification and reconstruction tasks. Specifically, PySensors implements algorithms for data-driven sparse sensor placement optimization for…
LiDAR is an essential sensor for autonomous driving by collecting precise geometric information regarding a scene. %Exploiting this information for perception is interesting as the amount of available data increases. As the performance of…
swdatatoolkit is a Python-based scientific software library designed to support the acquisition, preprocessing, and analysis of solar and space weather data. The toolkit consolidates functionality across multiple domains, including data…
This work introduces FlashGS, an open-source CUDA Python library, designed to facilitate the efficient differentiable rasterization of 3D Gaussian Splatting through algorithmic and kernel-level optimizations. FlashGS is developed based on…
The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand…