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Benchmarking, which involves collecting reference datasets and demonstrating method performances, is a requirement for the development of new computational tools, but also becomes a domain of its own to achieve neutral comparisons of…
While detailed resource usage monitoring is possible on the low-level using proper tools, associating such usage with higher-level abstractions in the application layer that actually cause the resource usage in the first place presents a…
Research is an incremental, iterative process, with new results relying and building upon previous ones. Scientists need to find, retrieve, understand, and verify results in order to confidently extend them, even when the results are their…
Numerical algorithms and computational tools are instrumental in navigating and addressing complex simulation and data processing tasks. The exponential growth of metadata and parameter-driven simulations has led to an increasing demand for…
Containers are excellent hands-on learning environments for computing topics because they are customizable, portable, and reproducible. The Cornell University Center for Advanced Computing has developed the Cornell Virtual Workshop in high…
Scientific workflows consist of thousands of highly parallelized tasks executed in a distributed environment involving many components. Automatic tracing and investigation of the components' and tasks' performance metrics, traces, and…
Laboratory research is a complex, collaborative process that involves several stages, including hypothesis formulation, experimental design, data generation and analysis, and manuscript writing. Although reproducibility and data sharing are…
The Hybrid Technology Hub and many other research centers work in cross-functional teams whose workflow is not necessarily linear and where in many cases technology advances are done through parallel work. The lack of proper tools and…
Linux container technologies such as Docker and Singularity offer encapsulated environments for easy execution of software. In high performance computing, this is especially important for evolving and complex software stacks with…
The laboratories and research institutes are the major places for cutting-edge scientific exploration. Hundreds of millions of research papers were formed from front-line labs. Behind this glorious achievement were unsustainable facts. More…
Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…
Modern science clearly demands for a higher level of reproducibility and collaboration. To make research fully reproducible one has to take care of several aspects: research protocol description, data access, environment preservation,…
This paper investigates the reproducibility of computational science research and identifies key challenges facing the community today. It is the result of the First Summer School on Experimental Methodology in Computational Science…
The adoption of heterogeneous computing systems based on diverse architectures to achieve exascale computing power has worsened the performance portability problem of scientific applications that were designed to run on these platforms. To…
We present the material and resources developed for training physicists on containerization technologies enabled by Apptainer. In the context of analysis preservation using Apptainer's capabilities, we have developed examples that execute…
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,…
Web3 applications require execution platforms that maintain confidentiality and integrity without relying on centralized trust authorities. While Trusted Execution Environments (TEEs) offer promising capabilities for confidential computing,…
To improve customer experience, datacenter operators offer support for simplifying application and resource management. For example, running workloads of workflows on behalf of customers is desirable, but requires increasingly more…
In the near future, more and more machines will perform tasks in the vicinity of human spaces or support them directly in their spatially bound activities. In order to simplify the verbal communication and the interaction between robotic…
Nested simulation is a natural approach to tackle nested estimation problems in operations research and financial engineering. The outer-level simulation generates outer scenarios and the inner-level simulations are run in each outer…