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To enable heterogeneous computing systems with autonomous programming and optimization capabilities, we propose a unified, end-to-end, programmable graph representation learning (PGL) framework that is capable of mining the complexity of…
Rapid growth in scientific data and a widening gap between computational speed and I/O bandwidth make it increasingly infeasible to store and share all data produced by scientific simulations. Instead, we need methods for reducing data…
We present a multi-GPU extension of the 3D Gaussian Splatting (3D-GS) pipeline for scientific visualization. Building on previous work that demonstrated high-fidelity isosurface reconstruction using Gaussian primitives, we incorporate a…
Finite-difference time-domain (FDTD) simulations often involve physical quantities spanning multiple orders of magnitude, such as the speed of light or electromagnetic field amplitudes. The standard practice for maintaining numerical…
In this paper we describe the research and development activities in the Center for Efficient Exascale Discretization within the US Exascale Computing Project, targeting state-of-the-art high-order finite-element algorithms for high-order…
We compute two infinite series of tree-level amplitudes with a massive scalar pair and an arbitrary number of gluons. We provide results for amplitudes where all gluons have identical helicity, and amplitudes with one gluon of opposite…
When simulating a lattice system near its critical temperature, local algorithms for modeling the system's evolution can introduce very large autocorrelation times into sampled data. This critical slowing down places restrictions on the…
Lattice Boltzmann method models offer a novel framework for the simulation of high Reynolds number dilute gravity currents. The numerical algorithm is well suited to acceleration via implementation on massively parallel computer…
Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the…
We propose a new ``universal expansion" for one-loop amplitudes with arbitrary number of gluons in $D$ dimensions, which holds for general gauge theories with gluons/fermions/scalars in the loop, including pure and supersymmetric Yang-Mills…
With the fast developments of high-performance computing, first-principles methods based on quantum mechanics play a significant role in materials research, serving as fundamental tools for predicting and analyzing various properties of…
There is growing interest in engineering unconventional computing devices that leverage the intrinsic dynamics of physical substrates to perform fast and energy-efficient computations. Granular metamaterials are one such substrate that has…
We present a CUDA accelerated implementation of the Characteristic/Scan Conversion algorithm to generate narrow band signed distance fields in logically Cartesian grids. We outline an approach of task and data management on GPUs based on an…
This paper presents an innovative approach to computational acoustic imaging of biperiodic surfaces, exploiting the capabilities of an acoustic superlens to overcome the diffraction limit. We address the challenge of imaging physical…
We present a general method for accelerating by more than an order of magnitude the convolution of pixelated functions on the sphere with a radially-symmetric kernel. Our method splits the kernel into a compact real-space component and a…
Searching for sources of electromagnetic emission in spectral-line radio astronomy interferometric data is a computationally intensive process. Parallel programming techniques and High Performance Computing hardware may be used to improve…
A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…
We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and…
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often…
This paper presents a GPU-accelerated simulation package, TRED, for next-generation neutrino detectors with pixelated charge readout, leveraging community-driven software ecosystems to ensure sustainability and extensibility. We introduce…