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Containerization is a lightweight application virtualization technology, providing high environmental consistency, operating system distribution portability, and resource isolation. Existing mainstream cloud service providers have…
With the increasing popularity of accelerator technologies (e.g., GPUs and TPUs) and the emergence of domain-specific computing via ASICs and FPGA, the matter of heterogeneity and understanding its ramifications on the performance has…
Cross-application interference can affect drastically performance of HPC applications when running in clouds. This problem is caused by concurrent access performed by co-located applications to shared and non-sliceable resources such as…
The regulation of various cellular processes heavily relies on the protein complexes within a living cell, necessitating a comprehensive understanding of their three-dimensional structures to elucidate the underlying mechanisms. While…
This work describes the design, implementation and performance analysis of a distributed two-tiered storage software. The first tier functions as a distributed software cache implemented using solid-state devices~(NVMes) and the second tier…
Offloading computationally intensive tasks from mobile users (MUs) to a virtualized environment such as containers on a nearby edge server, can significantly reduce processing time and hence end-to-end (E2E) delay. However, when users are…
We conducted a systematic survey of emerging quantum-HPC platforms, which integrate quantum computers and High-Performance Computing (HPC) systems through co-location. Currently, it remains unclear whether such platforms provide tangible…
Virtual machines and virtualized hardware have been around for over half a century. The commoditization of the x86 platform and its rapidly growing hardware capabilities have led to recent exponential growth in the use of virtualization…
We propose a benchmark to study surrogate model accuracy for protein-ligand docking. We share a dataset consisting of 200 million 3D complex structures and 2D structure scores across a consistent set of 13 million "in-stock" molecules over…
Checkpointing large amounts of related data concurrently to stable storage is a common I/O pattern of many HPC applications. However, such a pattern frequently leads to I/O bottlenecks that lead to poor scalability and performance. As…
Deep Learning-based (DL) applications are becoming increasingly popular and advancing at an unprecedented pace. While many research works are being undertaken to enhance Deep Neural Networks (DNN) -- the centerpiece of DL applications --…
A new class of Second generation high-performance computing applications with heterogeneous, dynamic and data-intensive properties have an extended set of requirements, which cover application deployment, resource allocation, -control, and…
Container technologies, like Docker, are becoming increasingly popular. Containers provide exceptional developer experience because containers offer lightweight isolation and ease of software distribution. Containers are also widely used in…
The increasing availability of cloud computing services for science has changed the way scientific code can be developed, deployed, and run. Many modern scientific workflows are capable of running on cloud computing resources. Consequently,…
High-quality video streaming, either in form of Video-On-Demand (VOD) or live streaming, usually requires converting (ie, transcoding) video streams to match the characteristics of viewers' devices (eg, in terms of spatial resolution or…
Virtual screening (VS) is an essential task in drug discovery, focusing on the identification of small-molecule ligands that bind to specific protein pockets. Existing deep learning methods, from early regression models to recent…
Edge devices have typically been used for DNN inferencing. The increase in the compute power of accelerated edges is leading to their use in DNN training also. As privacy becomes a concern on multi-tenant edge devices, Docker containers…
Containers are standalone, self-contained units that package software and its dependencies together. They offer lightweight performance isolation, fast and flexible deployment, and fine-grained resource sharing. They have gained popularity…
Edge computing enables latency-critical applications to process data close to end devices, yet task heterogeneity and limited resources pose significant challenges to efficient orchestration. This paper presents a measurement-driven,…
Molecular docking plays a crucial role in predicting the binding mode of ligands to target proteins, and covalent interactions, which involve the formation of a covalent bond between the ligand and the target, are particularly valuable due…