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We extend correlated sampling from classical auxiliary-field quantum Monte Carlo to the quantum-classical (QC-AFQMC) framework, enabling accurate nuclear force computations crucial for geometry optimization and reaction dynamics. Stochastic…
We present the implementation of a trust-region Newton algorithm ExaTron for bound-constrained nonlinear programming problems, fully running on multiple GPUs. Without data transfers between CPU and GPU, our implementation has achieved the…
We explored the possible benefits of integrating quantum simulators in a "hybrid" quantum machine learning (QML) workflow that uses both classical and quantum computations in a high-performance computing (HPC) environment. Here, we used two…
A number of scientific numerical codes can currently exploit GPUs with remarkable performance. In astrophysics, Enzo and Ramses are prime examples of such applications. The two codes have been ported to GPUs adopting different strategies…
Quantum computing (QC) is anticipated to provide a speedup over classical HPC approaches for specific problems in optimization, simulation, and machine learning. With the advances in quantum computing toward practical applications, the need…
The ISO C++17 standard introduces \emph{parallel algorithms}, a parallel programming model promising portability across a wide variety of parallel hardware including multi-core CPUs, GPUs, and FPGAs. Since 2019, the NVIDIA HPC SDK compiler…
In this work we use the GPU porting task for the operative Japanese weather prediction model "ASUCA" as an opportunity to examine productivity issues with OpenACC when applied to structured grid problems. We then propose "Hybrid Fortran",…
Modern adiabatic quantum computers (AQC) are already used to solve difficult combinatorial optimisation problems in various domains of science. Currently, only a few applications of AQC in computer vision have been demonstrated. We review…
We present PINNACLE, an open-source computational framework for physics-informed neural networks (PINNs) that integrates modern training strategies, multi-GPU acceleration, and hybrid quantum-classical architectures within a unified modular…
Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days.…
Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to…
The demand for energy-efficient and high performance embedded systems drives the evolution of new hardware architectures, including concepts like approximate computing. This paper presents a novel reconfigurable embedded platform named…
In order to compensate for the higher cost of double double and quad double arithmetic when solving large polynomial systems, we investigate the application of NVIDIA Tesla K20C general purpose graphics processing unit. The focus on this…
In this paper we describe a single-node, double precision Field Programmable Gate Array (FPGA) implementation of the Conjugate Gradient algorithm in the context of Lattice Quantum Chromodynamics. As a benchmark of our proposal we invert…
Large-scale eigenvalue computations on sparse matrices are a key component of graph analytics techniques based on spectral methods. In such applications, an exhaustive computation of all eigenvalues and eigenvectors is impractical and…
The massive use of artificial neural networks (ANNs), increasingly popular in many areas of scientific computing, rapidly increases the energy consumption of modern high-performance computing systems. An appealing and possibly more…
The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core GPUs, exploiting…
Top-k selection, which identifies the largest or smallest k elements from a data set, is a fundamental operation in data-intensive domains such as databases and deep learning, so its scalability and efficiency are critical for these…
[Abridged] We present the results of a highly parallel Kepler equation solver using the Graphics Processing Unit (GPU) on a commercial nVidia GeForce 280GTX and the "Compute Unified Device Architecture" programming environment. We apply…
The use of analog classical systems for computation is generally thought to be a difficult proposition due to the susceptibility of these devices to noise and the lack of a clear framework for achieving fault-tolerance. We present…