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Cloud services have been used very widely, but configuration of the parameters, including the efficient allocation of resources, is an important objective for the system architect. The article is devoted to solving the problem of choosing…
Over the last ten years, graphics processors have become the de facto accelerator for data-parallel tasks in various branches of high-performance computing, including machine learning and computational sciences. However, with the recent…
Benchmarking is key for developing and comparing optimization algorithms. In this paper, a CUDA-based real parameter optimization benchmark (cuROB) is introduced. Test functions of diverse properties are included within cuROB and…
In a typical Internet-of-Things setting that involves scientific applications, a target computation can be evaluated in many different ways depending on the split of computations among various devices. On the one hand, different…
This work presents a comprehensive performance analysis and optimization of a multiscale agent-based cellular simulation. The optimizations applied are guided by detailed performance analysis and include memory management, load balance, and…
Implicit Neural Point Cloud (INPC) is a recent hybrid representation that combines the expressiveness of neural fields with the efficiency of point-based rendering, achieving state-of-the-art image quality in novel view synthesis. However,…
Computational chemistry is the leading application to demonstrate the advantage of quantum computing in the near term. However, large-scale simulation of chemical systems on quantum computers is currently hindered due to a mismatch between…
Computed Tomography (CT) is a key 3D imaging technology that fundamentally relies on the compute-intense back-projection operation to generate 3D volumes. GPUs are typically used for back-projection in production CT devices. However, with…
Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware…
In this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra from charged particles with arbitrary…
'How can GPU acceleration be obtained as a service in a cluster?' This question has become increasingly significant due to the inefficiency of installing GPUs on all nodes of a cluster. The research reported in this paper is motivated to…
While modern parallel computing systems offer high performance, utilizing these powerful computing resources to the highest possible extent demands advanced knowledge of various hardware architectures and parallel programming models.…
Modern Infrastructure-as-a-Service Clouds operate in a competitive environment that caters to any user's requirements for computing resources. The sharing of the various types of resources by diverse applications poses a series of…
Graphics Processing Units (GPUs) have become the standard in accelerating scientific applications on heterogeneous systems. However, as GPUs are getting faster, one potential performance bottleneck with GPU-accelerated applications is the…
Black-box optimization is essential for tuning complex machine learning algorithms which are easier to experiment with than to understand. In this paper, we show that a simple ensemble of black-box optimization algorithms can outperform any…
Bloom filters are a fundamental data structure for approximate membership queries, with applications ranging from data analytics to databases and genomics. Several variants have been proposed to accommodate parallel architectures. GPUs,…
GPU code optimization is a key performance bottleneck for HPC workloads as well as large-model training and inference. Although compiler optimizations and hand-written kernels can partially alleviate this issue, achieving…
Docking-based virtual screening (VS process) selects ligands with potential pharmacological activities from millions of molecules using computational docking methods, which greatly could reduce the number of compounds for experimental…
The Large Hadron Collider (LHC) at CERN will see an upgraded hardware configuration which will bring a new era of physics data taking and related computational challenges. To this end, it is necessary to exploit the ever increasing variety…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…