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As scientific applications extend to the simulation of more and more complex systems, they involve an increasing number of abstraction levels, at each of which errors can emerge and across which they can propagate; tools for correctness…
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Undergraduate programs in science and engineering include at least one course in basic programming, but seldom presented in a contextualized format, where computing is a tool for thinking and learning in the discipline. We have created a…
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In edge computing scenarios, the distribution of data and collaboration of workloads on different layers are serious concerns for performance, privacy, and security issues. So for edge computing benchmarking, we must take an end-to-end…
Applications integrating analysis components require a programmable interface which defines statistical operations independently of any programming language. By separating concerns of scientific computing from application and implementation…
As a representative literate programming platform, Jupyter is widely adopted by developers, data analysts, and researchers for replication, data sharing, documentation, interactive data visualization, and more. Understanding the bugs in the…
The structural identifiability and the observability of a model determine the possibility of inferring its parameters and states by observing its outputs. These properties should be analysed before attempting to calibrate a model.…
Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing…
Accurate parsing of citations is necessary for machine-readable scholarly infrastructure. But, despite sustained interest in this problem, existing evaluation techniques are often not generalizable, based on synthetic data, or not publicly…
As quantum computing (QC) continues to evolve in hardware and software, measuring progress in this complex and diverse field remains a challenge. To track progress, uncover bottlenecks, and evaluate community efforts, benchmarks play a…
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…
Quantum programming techniques and software have advanced significantly over the past five years, with a majority focusing on high-level language frameworks targeting remote REST library APIs. As quantum computing architectures advance and…
Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are…
AcceleratedKernels.jl is introduced as a backend-agnostic library for parallel computing in Julia, natively targeting NVIDIA, AMD, Intel, and Apple accelerators via a unique transpilation architecture. Written in a unified, compact…
This document is one of the deliverable reports created for the ESCAPE project. ESCAPE stands for Energy-efficient Scalable Algorithms for Weather Prediction at Exascale. The project develops world-class, extreme-scale computing…
Reproducibility of computational studies is a hallmark of scientific methodology. It enables researchers to build with confidence on the methods and findings of others, reuse and extend computational pipelines, and thereby drive scientific…
The transition from automated data collection to fully autonomous discovery requires a shared vocabulary to benchmark progress. While the automotive industry relies on the SAE J3016 standard, current taxonomies for autonomous science…
The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…