Related papers: Using Jupyter for reproducible scientific workflow…
We report a user-friendly software environment for battery data science. It is designed to streamline data management, data cleaning, and data analysis to help bridge the gap between the domain expertise of most battery scientists and the…
Data science workflows are human-centered processes involving on-demand programming and analysis. While programmable and interactive interfaces such as widgets embedded within computational notebooks are suitable for these workflows, they…
Scientific computing is increasingly incorporating the advancements in machine learning and the ability to work with large amounts of data. At the same time, machine learning models are becoming increasingly sophisticated and exhibit many…
Benchmarks are essential in the design of modern HPC installations, as they define key aspects of system components. Beyond synthetic workloads, it is crucial to include real applications that represent user requirements into benchmark…
Jupyter Scatter is a scalable, interactive, and interlinked scatterplot widget for exploring datasets in Jupyter Notebook/Lab, Colab, and VS Code. Its goal is to simplify the visual exploration, analysis, and comparison of large-scale…
JuMP is an open-source modeling language that allows users to express a wide range of optimization problems (linear, mixed-integer, quadratic, conic-quadratic, semidefinite, and nonlinear) in a high-level, algebraic syntax. JuMP takes…
To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…
Although a standard in natural science, reproducibility has been only episodically applied in experimental computer science. Scientific papers often present a large number of tables, plots and pictures that summarize the obtained results,…
AI-powered code assistants, such as Copilot, are quickly becoming a ubiquitous component of contemporary coding contexts. Among these environments, computational notebooks, such as Jupyter, are of particular interest as they provide rich…
As software systems increase in complexity, conventional monitoring methods struggle to provide a comprehensive overview or identify performance issues, often missing unexpected problems. Observability, however, offers a holistic approach,…
Quantum computing has become an active research field in recent years, as its applications in fields such as cryptography, optimization, and materials science are promising. Along with these developments, challenges and opportunities exist…
As computational work becomes more and more integral to many aspects of scientific research, computational reproducibility has become an issue of increasing importance to computer systems researchers and domain scientists alike. Though…
The reproducibility of scientific research has become a point of critical concern. We argue that openness and transparency are critical for reproducibility, and we outline an ecosystem for open and transparent science that has emerged…
Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…
Despite the widespread adoption of computational notebooks, little is known about best practices for their usage in collaborative contexts. In this paper, we fill this gap by eliciting a catalog of best practices for collaborative data…
Jupyter notebooks enable developers to interleave code snippets with rich-text and in-line visualizations. Data scientists use Jupyter notebook as the de-facto standard for creating and sharing machine-learning based solutions, primarily…
Semantic search, a process aimed at delivering highly relevant search results by comprehending the searcher's intent and the contextual meaning of terms within a searchable dataspace, plays a pivotal role in information retrieval. In this…
The reproduction and replication of research results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the challenges closely revolve around…
This paper introduces a computational composite material comprising layers for actuation, computation and energy storage. Key to its design is inexpensive materials assembled from traditionally available fabrication machines to support the…
Computational notebooks are intended to prioritize the needs of scientists, but little is known about how scientists interact with notebooks, what requirements drive scientists' software development processes, or what tactics scientists use…