arXiv subjects

David A. B. Hyde

Publications and source records attributed to David A. B. Hyde.

8 recordsLinked to original sources

arXiv2026

A Scalable Time-Based Molecular Dynamics Approach for Simulating Single-Bubble Sonoluminescence

We present a scalable time-based molecular dynamics (TBMD) framework for simulating single-bubble sonoluminescence within a hybrid continuum-MD formulation. Unlike prior event-based approaches, which model gas dynamics through instantaneous hard-sphere collisions, the present method integrates continuous Lennard-Jones and damped shifted force Coulomb interactions at each timestep, enabling self-consistent tracking of ionization state and long-range electrostatics throughout the collapse. To bridge the gap between the physical particle count ($N_\mathrm{real}\sim 10^{10}$) and computationally tractable ensemble sizes, we introduce an ensemble particle (EP) scaling formalism that preserves temperature, pressure, and ionization statistics while reducing the simulated particle count by up to four orders of magnitude. Applying the framework to argon under standard single-bubble sonoluminescence driving conditions, we perform a systematic sweep over the ionization model and thermal accommodation coefficient $α_t$, with ensemble sizes up to $N_\mathrm{ensem} = 10^8$ particles. The results establish that ionization is the dominant regulator of peak temperature, reducing $T_\mathrm{max}$ by approximately a factor of two relative to the non-ionizing baseline, while $α_t$ primarily controls the spatially averaged temperature at the collapse minimum. Scalar observables at $N_\mathrm{ensem} = 10^8$, including peak temperature, minimum bubble radius, and maximum wall velocity, are assessed against prior studies to help validate the EP scaling formalism and our hybrid continuum-MD framework.

physics.comp-ph↗

arXiv2026

Ember: An Extensible Benchmark Suite for Quantum Annealing Embedding Algorithms

Minor embedding is a required compilation step for quantum annealing, mapping logical problem graphs onto sparse hardware topologies. Despite its central role in determining solution quality, no standardized benchmark exists for comparing embedding algorithms: prior studies use incompatible graph libraries, inconsistent metrics, and non-reproducible experimental setups, making cross-algorithm comparisons unreliable. We present Ember (Embedding Minor Benchmark for Evaluative Reproducibility), an open-source benchmarking framework addressing this gap. Ember provides a standardized algorithm interface with seeded, reproducible execution infrastructure; a diverse graph library of 24,016 instances spanning structured, random, and physics-motivated problem types not previously used in embedding benchmarks; and a unified analysis pipeline supporting all three current D-Wave hardware topologies (Chimera, Pegasus, Zephyr). We evaluate five algorithms across the full library on Chimera and find that no algorithm dominates universally: rankings vary systematically with graph structure, and the best algorithm depends on the family being embedded. We also examine the effects of hardware topology (including Pegasus and Zephyr), qubit error rates, and evaluate a reinforcement-learning approach (CHARME) within a narrower test set. Ember is available at https://github.com/zachmacsmith/ember and is installable via pip install ember-qc.

quant-ph↗

arXiv2026

Incisor: Ex Ante Cloud Instance Selection for HPC Jobs

We present Incisor, a cloud HPC job submission system for the ex ante instance selection problem: choosing suitable hardware in the challenging but common setting where only the executable, inputs, and invocation commands are available at submission time. In practice, this task is manual and expertise-intensive, requiring users to combine incomplete knowledge of rapidly evolving cloud offerings with workload-specific intuition, static analysis, and systems reasoning to infer hardware constraints and select an instance type for each job. Incisor automates this process by pairing widely available program analysis tools with LLM-guided reasoning to infer hardware requirements and choose cloud instances. Using submission artifacts alone, Incisor atop frontier coding LLMs selects working AWS EC2 instances ex ante for 100% of first-time runs of source-compiled (C, C++, Fortran) and Python applications. Against a strong baseline combining expert-derived constraints with SkyPilot's instance selection, Incisor cuts job runtime by 54% and instance costs by 44%.

cs.DC↗

arXiv2026

Adviser: An Intuitive Multi-Cloud Platform for Scientific and ML Workflows

Effectively leveraging the vast computational resources of modern cloud environments requires expertise spanning multiple technical domains: configuring scientific software with correct parameters and dependencies, navigating thousands of provider-specific instance types and pricing options, and managing parallel or distributed execution. We conduct a study indicating that the absence of these categories of expertise poses an ongoing challenge to unlocking the potential of cloud-enabled computational science. To address this challenge, we introduce Adviser, an intuitive multi-cloud platform centered on a workflow abstraction. Workflows are reusable, expert-crafted artifacts encapsulating environment setup, data processing, simulation, result capture, and visualization steps needed to execute scientific and ML applications. This approach allows users to specify high-level intent, while Adviser handles resource provisioning, runtime configuration, and data movement. Using two computational glaciology codes, Icepack and PISM, we show how to use Adviser to gain scientific insight and perform rapid exploration of cost-performance tradeoffs and scaling behavior without specialized expertise in cloud or high-performance computing.

cs.DC↗

arXiv2024

Automated Synthesis of Quantum Algorithms via Classical Numerical Techniques

We apply numerical optimization and linear algebra algorithms for classical computers to the problem of automatically synthesizing algorithms for quantum computers. Using our framework, we apply several common techniques from these classical domains and numerically examine their suitability for and performance on this problem. Our methods are evaluated on single-qubit systems as well as on larger systems. While the first part of our proposed method outputs a single unitary matrix representing the composite effects of a quantum circuit or algorithm, we use existing tools - and assess the performance of these - to factor such a matrix into a product of elementary quantum gates. This enables our pipeline to be truly end-to-end: starting from desired input/output examples, our code ultimately results in a quantum circuit diagram. We release our code to the research community (upon acceptance).

math.NA↗

arXiv2022

A Robust Grid-Based Meshing Algorithm for Embedding Self-Intersecting Surfaces

The creation of a volumetric mesh representing the interior of an input polygonal mesh is a common requirement in graphics and computational mechanics applications. Most mesh creation techniques assume that the input surface is not self-intersecting. However, due to numerical and/or user error, input surfaces are commonly self-intersecting to some degree. The removal of self-intersection is a burdensome task that complicates workflow and generally slows down the process of creating simulation-ready digital assets. We present a method for the creation of a volumetric embedding hexahedron mesh from a self-intersecting input triangle mesh. Our method is designed for efficiency by minimizing use of computationally expensive exact/adaptive precision arithmetic. Although our approach allows for nearly no limit on the degree of self-intersection in the input surface, our focus is on efficiency in the most common case: many minimal self-intersections. The embedding hexahedron mesh is created from a uniform background grid and consists of hexahedron elements that are geometrical copies of grid cells. Multiple copies of a single grid cell are used to resolve regions of self-intersection/overlap. Lastly, we develop a novel topology-aware embedding mesh coarsening technique to allow for user-specified mesh resolution as well as a topology-aware tetrahedralization of the hexahedron mesh.

cs.GR↗

arXiv2021

A Momentum-Conserving Implicit Material Point Method for Surface Energies with Spatial Gradients

We present a novel Material Point Method (MPM) discretization of surface tension forces that arise from spatially varying surface energies. These variations typically arise from surface energy dependence on temperature and/or concentration. Furthermore, since the surface energy is an interfacial property depending on the types of materials on either side of an interface, spatial variation is required for modeling the contact angle at the triple junction between a liquid, solid and surrounding air. Our discretization is based on the surface energy itself, rather than on the associated traction condition most commonly used for discretization with particle methods. Our energy based approach automatically captures surface gradients without the explicit need to resolve them as in traction condition based approaches. We include an implicit discretization of thermomechanical material coupling with a novel particle-based enforcement of Robin boundary conditions associated with convective heating. Lastly, we design a particle resampling approach needed to achieve perfect conservation of linear and angular momentum with AffineParticle-In-Cell (APIC) [Jiang et al. 2015]. We show that our approach enables implicit time stepping for complex behaviors like the Marangoni effect and hydrophobicity/hydrophilicity. We demonstrate the robustness and utility of our method by simulating materials that exhibit highly diverse degrees of surface tension and thermomechanical effects, such as water, wine and wax.

cs.GR↗

arXiv2020

A Hybrid Lagrangian/Eulerian Collocated Advection and Projection Method for Fluid Simulation

We present a hybrid particle/grid approach for simulating incompressible fluids on collocated velocity grids. We interchangeably use particle and grid representations of transported quantities to balance efficiency and accuracy. A novel Backward Semi-Lagrangian method is derived to improve accuracy of grid based advection. Our approach utilizes the implicit formula associated with solutions of Burgers' equation. We solve this equation using Newton's method enabled by $C^1$ continuous grid interpolation. We enforce incompressibility over collocated, rather than staggered grids. Our projection technique is variational and designed for B-spline interpolation over regular grids where multiquadratic interpolation is used for velocity and multilinear interpolation for pressure. Despite our use of regular grids, we extend the variational technique to allow for cut-cell definition of irregular flow domains for both Dirichlet and free surface boundary conditions.

cs.GR↗