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Kubernetes has emerged as a leading open-source platform for container orchestration, allowing organizations to efficiently manage and deploy containerized applications at scale. This paper investigates the performance of four Kubernetes…
Scientists rely on simulations to study natural phenomena. Trusting the simulation results is vital to develop sciences in any field. One approach to build trust is to ensure the reproducibility and traceability of the simulations through…
Compressed deep learning models are crucial for deploying computer vision systems on resource-constrained devices. However, model compression may affect robustness, especially under natural corruption. Therefore, it is important to consider…
High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale…
The promising improvement in compression efficiency of Versatile Video Coding (VVC) compared to High Efficiency Video Coding (HEVC) comes at the cost of a non-negligible encoder side complexity. The largely increased complexity overhead is…
Virtual screening (VS) is a critical component of modern drug discovery, yet most existing methods--whether physics-based or deep learning-based--are developed around holo protein structures with known ligand-bound pockets. Consequently,…
Businesses have made increasing adoption and incorporation of cloud technology into internal processes in the last decade. The cloud-based deployment provides on-demand availability without active management. More recently, the concept of…
High-performance computing (HPC) systems and cloud data centers are converging, and containers are becoming the default method of portable software deployment. Yet, while containers simplify software management, they face significant…
Docker images are used to distribute and deploy cloud-native applications in containerised form. A container engine runs them with separated privileges according to namespaces. Recent studies have investigated security vulnerabilities and…
In this work, we propose the use of hybrid offloading of computing tasks simultaneously to edge servers (vertical offloading) via LTE communication and to nearby cars (horizontal offloading) via V2V communication, in order to increase the…
We study performance characteristics of convolutional neural networks (CNN) for mobile computer vision systems. CNNs have proven to be a powerful and efficient approach to implement such systems. However, the system performance depends…
Computing demands for large scientific experiments, such as the CMS experiment at the CERN LHC, will increase dramatically in the next decades. To complement the future performance increases of software running on central processing units…
Rapid advances in quantum computing technology lead to an increasing need for software simulators that enable both algorithm design and the validation of results obtained from quantum hardware. This includes calculations that aim at probing…
Sampling physically valid ligand-binding poses remains a major challenge in molecular docking, particularly for unseen or structurally diverse targets. We introduce PocketVina, a fast and memory-efficient, search-based docking framework…
Virtualization technology has enabled applications to be decoupled from the underlying hardware providing the benefits of portability, better control over execution environment and isolation. It has been widely adopted in scientific grids…
Virtual Screening (VS) of vast compound libraries guided by Artificial Intelligence (AI) models is a highly productive approach to early drug discovery. Data splitting is crucial for better benchmarking of such AI models. Traditional random…
Virtualization has rapidly become a go-to technology for increasing efficiency in the data center. With virtualization technologies providing tremendous flexibility, even disparate architectures may be deployed on a single machine without…
Multi-vector models dominate Visual Document Retrieval (VDR) due to their fine-grained matching capabilities, but their high storage and computational costs present a major barrier to practical deployment. In this paper, we propose…
This paper presents the Container Profiler, a software tool that measures and records the resource usage of any containerized task. Our tool profiles the CPU, memory, disk, and network utilization of containerized tasks collecting over…
Exponential increases in scientific experimental data are outstripping the rate of progress in silicon technology. As a result, heterogeneous combinations of architectures and process or device technologies are increasingly important to…