Related papers: Efficient GPU-computing simulation platform JAX-PF…

We propose a GPU accelerated proximal message passing algorithm for solving contingency-constrained DC optimal power flow problems (OPF). We consider a highly general formulation of OPF that uses a sparse device-node model and supports a…

We present a novel differentiable grid-based representation for efficiently solving differential equations (DEs). Widely used architectures for neural solvers, such as sinusoidal neural networks, are coordinate-based MLPs that are both…

We introduce a fusion of GPU accelerated primal heuristics for Mixed Integer Programming. Leveraging GPU acceleration enables exploration of larger search regions and faster iterations. A GPU-accelerated PDLP serves as an approximate LP…

We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available…

Molecular dynamics (MD) simulations have transformed our understanding of the nanoscale, driving breakthroughs in materials science, computational chemistry, and several other fields, including biophysics and drug design. Even on exascale…

We develop a matrix-free Full Approximation Storage (FAS) multigrid solver based on staggered finite differences and implemented on GPU in MATLAB. To enhance performance, intermediate variables are reused, and an X-shape Multi-Color…

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…

In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

We present a novel computational paradigm for process design in manufacturing processes that incorporates simulation responses to optimize manufacturing process parameters in high-dimensional temporal and spatial design spaces. We developed…

Recent advances in neural-network architecture allow for seamless integration of convex optimization problems as differentiable layers in an end-to-end trainable neural network. Integrating medium and large scale quadratic programs into a…

We propose Pgx, a suite of board game reinforcement learning (RL) environments written in JAX and optimized for GPU/TPU accelerators. By leveraging JAX's auto-vectorization and parallelization over accelerators, Pgx can efficiently scale to…

In this paper, we present GATSPI, a novel GPU accelerated logic gate simulator that enables ultra-fast power estimation for industry sized ASIC designs with millions of gates. GATSPI is written in PyTorch with custom CUDA kernels for ease…

The material point method (MPM), a hybrid Lagrangian-Eulerian particle method, is increasingly used to simulate large-deformation and history-dependent behavior of geomaterials. While explicit time integration dominates current MPM…

We present IncompressibleNavierStokes.jl, an open-source Julia package for solving the incompressible Navier--Stokes equations on staggered Cartesian grids. The package features matrix-free, hardware-agnostic kernels that are compiled from…

Particle-based fluid simulations have emerged as a powerful tool for solving the Navier-Stokes equations, especially in cases that include intricate physics and free surfaces. The recent addition of machine learning methods to the toolbox…

Serverless Computing (FaaS) has become a popular paradigm for deep learning inference due to the ease of deployment and pay-per-use benefits. However, current serverless inference platforms encounter the coarse-grained and static GPU…

We introduce microJAX, the first fully differentiable implementation of the image-centered ray-shooting (ICRS) algorithm for gravitational microlensing. Built on JAX and its XLA just-in-time compiler, microJAX exploits GPU parallelism while…

Classical simulation of quantum circuits remains indispensable for algorithm development, hardware validation, and error analysis in the noisy intermediate-scale quantum (NISQ) era. However, state-vector simulation faces exponential memory…

In this article, we introduce, a novel open-source framework designed for efficient parallel computation of projections in tomography leveraging either multiple CPU cores or GPUs. This framework efficiently implements forward and back…

Phase-field models are widely employed to simulate microstructure evolution during processes such as solidification or heat treatment. The resulting partial differential equations, often strongly coupled together, may be solved by a broad…