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Jupyter notebooks facilitate the bundling of executable code with its documentation and output in one interactive environment, and they represent a popular mechanism to document and share computational workflows. The reproducibility of…

Digital Libraries · Computer Science 2023-08-16 Sheeba Samuel , Daniel Mietchen

For large-scale scientific simulations, it is expensive to store raw simulation results to perform post-analysis. To minimize expensive I/O, "in-situ" analysis is often used, where analysis applications are tightly coupled with scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-01 Feng Li , Dali Wang , Feng Yan , Fengguang Song

In this paper, we present resolvent4py, a parallel Python package for the analysis, model reduction and control of large-scale linear systems with millions or billions of degrees of freedom. This package provides the user with a friendly…

As a competitive recovery method for heavy oil, In-Situ Combustion (ISC) shows its great potential accompanied by technological advances in recent years. Reservoir simulation will play an indispensable role in the prediction of the…

Computational Engineering, Finance, and Science · Computer Science 2018-11-30 Ruijian He , Bo Yang , Hui Liu , Zhangxin Chen

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales, however, the utility of these simulations is often limited by our ability to directly compare them with the…

Instrumentation and Methods for Astrophysics · Physics 2017-09-26 Cameron Hummels , Britton Smith , Devin Silvia

Statistical modeling is a key element in many scientific fields and especially in High-Energy Physics (HEP) analysis. The standard framework to perform this task in HEP is the C++ ROOT/RooFit toolkit; with Python bindings that are only…

Data Analysis, Statistics and Probability · Physics 2020-05-21 Jonas Eschle , Albert Puig Navarro , Rafael Silva Coutinho , Nicola Serra

Small and wide angle x-ray scattering tensor tomography are powerful methods for studying anisotropic nanostructures in a volume-resolved manner, and are becoming increasingly available to users of synchrotron facilities. The analysis of…

Materials Science · Physics 2025-04-24 Leonard C. Nielsen , Mads Carlsen , Sici Wang , Arthur Baroni , Torne Tänzer , Marianne Liebi , Paul Erhart

Data management systems have traditionally been designed to support either long-running analytics queries or short-lived transactions, but an increasing number of applications need both. For example, online games, socio-mobile apps, and…

Databases · Computer Science 2012-05-31 Benjamin Sowell , Wojciech Golab , Mehul A. Shah

In the Jupyter ecosystem, data visualization is usually done with "widgets" created as notebook cell outputs. While this mechanism works well in some circumstances, it is not well-suited to presenting interfaces that are long-lived,…

Instrumentation and Methods for Astrophysics · Physics 2022-12-09 Peter K. G. Williams , Jonathan Carifio , Henrik Norman , A. David Weigel

Advances in high-throughput simulation (HTS) software enabled computational databases and big data to become common resources in materials science. However, while computational power is increasingly larger, software packages orchestrating…

Computational Physics · Physics 2023-12-22 Daniel Schwalbe-Koda

Nowadays simulations can produce petabytes of data to be stored in parallel filesystems or large-scale databases. This data is accessed over the course of decades often by thousands of analysts and scientists. However, storing these volumes…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-11 Salvatore Di Girolamo , Pirmin Schmid , Thomas Schulthess , Torsten Hoefler

The drive towards exascale computing is opening an enormous opportunity for more realistic and precise simulations of natural phenomena. The process of simulation, however, involves not only the numerical computation of predictions but also…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-05-21 Allan Santos , Hermano Lustosa , Fabio Porto , Bruno Schulze

This paper introduces the practicalities and benefits of using SimPy, a discrete event simulation (DES) module written in Python, for modeling and simulating complex systems. Through a step-by-step exploration of the classical Dining…

Mathematical Software · Computer Science 2024-05-06 Dmitry Zinoviev

Processing-in-memory (PIM) promises to alleviate the data movement bottleneck in modern computing systems. However, current real-world PIM systems have the inherent disadvantage that their hardware is more constrained than in conventional…

Mathematical Software · Computer Science 2023-09-07 Maurus Item , Juan Gómez-Luna , Yuxin Guo , Geraldo F. Oliveira , Mohammad Sadrosadati , Onur Mutlu

Visualization of dynamic processes in scientific high-performance computing is an immensely data intensive endeavor. Application codes have recently demonstrated scaling to full-size Exascale machines, and generating high-quality data for…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-03 Axel Huebl , Arianna Formenti , Marco Garten , Jean-Luc Vay

Dynamic program analysis is invaluable for malware detection, debugging, and performance profiling. However, software-based instrumentation incurs high overhead and can be evaded by anti-analysis techniques. In this paper, we propose…

Cryptography and Security · Computer Science 2025-10-21 Changyu Zhao , Yohan Beugin , Jean-Charles Noirot Ferrand , Quinn Burke , Guancheng Li , Patrick McDaniel

Just like the scientific data they generate, simulation workflows for research should be findable, accessible, interoperable, and reusable (FAIR). However, while significant progress has been made towards FAIR data, the majority of science…

Digital Libraries · Computer Science 2022-05-04 Martin Hunt , Steven Clark , Daniel Mejia , Saaketh Desai , Alejandro Strachan

The recently completed SubMIT platform is a small set of servers that provide interactive access to substantial data samples at high speeds, enabling sophisticated data analyses with very fast turnaround times. Additionally, it seamlessly…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-04 Josh Bendavid , Mariarosaria D'Alfonso , Jan Eysermans , Chad Freer , Maxim Goncharov , Matthew Heine , Luca Lavezzo , Marianne Moore , Christoph Paus , Xuejian Shen , David Walter , Zhangqier Wang

We introduce NebulOS, a Big Data platform that allows a cluster of Linux machines to be treated as a single computer. With NebulOS, the process of writing a massively parallel program for a datacenter is no more complicated than writing a…

Instrumentation and Methods for Astrophysics · Physics 2016-09-15 Nathaniel R. Stickley , Miguel A. Aragon-Calvo

Jupyter notebooks allow to bundle executable code with its documentation and output in one interactive environment, and they represent a popular mechanism to document and share computational workflows, including for research publications.…

Computational Engineering, Finance, and Science · Computer Science 2022-09-12 Sheeba Samuel , Daniel Mietchen