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Finite-difference methods based on high-order stencils are widely used in seismic simulations, weather forecasting, computational fluid dynamics, and other scientific applications. Achieving HPC-level stencil computations on one…
Earth system models are developed with a tight coupling to target hardware, often containing specialized code predicated on processor characteristics. This coupling stems from using imperative languages that hard-code computation schedules…
GEANT4 is a particle physics simulation tool used to develop and optimize radiation detectors. While C++ based examples exist, Python's growing popularity necessitates the development of a more accessible Python bindings interface. This…
The scientific computing ecosystem in Python is largely confined to single-node parallelism, creating a gap between high-level prototyping in NumPy and high-performance execution on modern supercomputers. The increasing prevalence of…
Python has become the prime language for application development in the Data Science and Machine Learning domains. However, data scientists are not necessarily experienced programmers. While Python lets them quickly implement their…
Python is rapidly becoming the lingua franca of machine learning and scientific computing. With the broad use of frameworks such as Numpy, SciPy, and TensorFlow, scientific computing and machine learning are seeing a productivity boost on…
In this era of diverse and heterogeneous computer architectures, the programmability issues, such as productivity and portable efficiency, are crucial to software development and algorithm design. One way to approach the problem is to step…
In recent years, language models (LMs), such as GPT-4, have been widely used in multiple domains, including natural language processing, visualization, and so on. However, applying them for analyzing and optimizing high-performance…
We present ongoing work on Guppy, a domain-specific language embedded in Python that allows users to write high-level hybrid quantum programs with complex control flow in Pythonic syntax, aiming to run them on actual quantum hardware.
In this work, we examine the performance, energy efficiency and usability when using Python for developing HPC codes running on the GPU. We investigate the portability of performance and energy efficiency between CUDA and OpenCL; between…
Fast and accurate climate simulations and weather predictions are critical for understanding and preparing for the impact of climate change. Real-world weather and climate modeling consist of complex compound stencil kernels that do not…
The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…
Python demonstrates lower performance in comparison to traditional high performance computing (HPC) languages such as C, C++, and Fortran. This performance gap is largely due to Python's interpreted nature and the Global Interpreter Lock…
This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…
Python has become the de facto language for scientific computing. Programming in Python is highly productive, mainly due to its rich science-oriented software ecosystem built around the NumPy module. As a result, the demand for Python…
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…
There are numerous approaches to building analysis applications across the high-energy physics community. Among them are Python-based, or at least Python-driven, analysis workflows. We aim to ease the adoption of a Python-based analysis…
Earth system models (ESMs) are vital for understanding past, present, and future climate, but they suffer from legacy technical infrastructure. ESMs are primarily implemented in Fortran, a language that poses a high barrier of entry for…
Stencil computations are widely used in HPC applications. Today, many HPC platforms use GPUs as accelerators. As a result, understanding how to perform stencil computations fast on GPUs is important. While implementation strategies for…
Python is a particularly appealing language to carry out data analysis, owing in part to its user-friendly character as well as its access to well maintained and powerful libraries like NumPy and SciPy. Still, for the purpose of analyzing…