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Apple Silicon has attracted much attention for its performance and role in machine learning (ML) training. Unlike NVIDIA GPUs, which have traditionally dominated ML training, Apple Silicon has a significant difference in memory…

This paper investigates the architectural features and performance potential of the Apple Silicon M-Series SoCs (M1, M2, M3, and M4) for HPC. We provide a detailed review of the CPU and GPU designs, the unified memory architecture, and…

A systematic understanding of Apple Silicon is lacking in the current landscape of hardware efficiency; research focus is largely centered on accelerating GPUs for large-scale training or inference on CUDA devices. This paper investigates…

Machine learning (ML) is successful in achieving human-level performance in various fields. However, it lacks the ability to explain an outcome due to its black-box nature. While existing explainable ML is promising, almost all of these…

Recent hardware acceleration advances have enabled powerful specialized accelerators for finite element computations, spiking neural network inference, and sparse tensor operations. However, existing approaches face fundamental limitations:…

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.…

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…

With the release of the Apple Silicon System-on-a-Chip processors, and the impressive performance shown in general use by both the M1 and M1 Ultra, the potential use for Apple Silicon processors in scientific computing is explored. Both the…

A finite-difference Micromagnetic solver is presented utilizing the C++ Accelerated Massive Parallelism (C++ AMP). The high speed performance of a single Graphics Processing Unit (GPU) is demonstrated compared to a typical CPU-based solver.…

Tensor accelerators now represent a growing share of compute resources in modern CPUs and GPUs. However, they are hard to program, leading developers to use vendor-provided kernel libraries that support tensor accelerators. As a result, the…

Matrix-accelerated stencil computation is a hot research topic, yet its application to three-dimensional (3D) high-order stencils and HPC remains underexplored. With the emergence of matrix units on multicore CPUs, we analyze matrix-based…

AI applications increasingly run on fast-evolving, heterogeneous hardware to maximize performance, but general-purpose libraries lag in supporting these features. Performance-minded programmers often build custom communication stacks that…

Smoothed Particle Hydrodynamics (SPH) is essential for modeling complex large-deformation problems across various applications, requiring significant computational power. A major portion of SPH computation time is dedicated to the Nearest…

A system-on-chip (SoC) photonic-electronic linear-algebra accelerator with the features of wavelength-division-multiplexing (WDM) based broadband photodetections and high-dimensional matrix-inversion operations fabricated in advanced…

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

This dissertation presents the design, implementation and evaluation of GPU-accelerated simulation frameworks for Evolutionary Spatial Cyclic Games (ESCGs), a class of agent-based models used to study ecological and evolutionary dynamics.…

We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

We present GPU-SLS, a GPU-parallelized framework for safe, robust nonlinear model predictive control (MPC) that scales to high-dimensional uncertain robotic systems and long planning horizons. Our method jointly optimizes an…

This paper introduces the Sheffield Magnetohydrodynamics Algorithm Using GPUs (SMAUG+), an advanced numerical code for solving magnetohydrodynamic (MHD) problems, using multi-GPU systems. Multi-GPU systems facilitate the development of…

Domain-specific machine learning (ML) accelerators such as Google's TPU and Apple's Neural Engine now dominate CPUs and GPUs for energy-efficient ML processing. However, the evolution of electronic accelerators is facing fundamental limits…