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Large Language Models (LLMs) with the Mixture-of-Experts (MoE) architectures have shown promising performance on various tasks. However, due to the huge model sizes, running them in resource-constrained environments where the GPU memory is…

Integrating renewable resources within the transmission grid at a wide scale poses significant challenges for economic dispatch as it requires analysis with more optimization parameters, constraints, and sources of uncertainty. This…

Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatch: limited per-thread memory is quickly overwhelmed by an…

We present RUBIX, a fully tested, well-documented, and modular Open Source tool developed in JAX, designed to forward model IFU cubes of galaxies from cosmological hydrodynamical simulations. The code automatically parallelizes computations…

Thanks to the computational power of modern cluster machines, numerical simulations can provide, with an unprecedented level of details, new insights into fluid mechanics. However, taking full advantage of this hardware remains challenging…

Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations (ODE) for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile,…

An existing hybrid MPI-OpenMP scheme is augmented with a CUDA-based fine grain parallelization approach for multidimensional distributed Fourier transforms, in a well-characterized pseudospectral fluid turbulence code. Basics of the hybrid…

Fine-grained workload and resource balancing is the key to high performance for regular and irregular computations on the GPUs. In this dissertation, we conduct an extensive survey of existing load-balancing techniques to build an…

Diffusion-based models demonstrate impressive generation capabilities. However, they also have a massive number of parameters, resulting in enormous model sizes, thus making them unsuitable for deployment on resource-constraint devices.…

We present our work on scalable, GPU-accelerated algorithms for diffeomorphic image registration. The associated software package is termed CLAIRE. Image registration is a non-linear inverse problem. It is about computing a spatial mapping…

We investigate the potential of Graphics Processing Units (GPUs) to solve large-scale nonlinear programs with a dynamic structure. Using ExaModels, a GPU-accelerated automatic differentiation tool, and the interior-point solver MadNLP, we…

The geometric multigrid method (GMG) is one of the most efficient solving techniques for discrete algebraic systems arising from elliptic partial differential equations. GMG utilizes a hierarchy of grids or discretizations and reduces the…

In the early-stage design of advanced electronic packages, designers face a critical trade-off between simulation fidelity and computational turnaround time. Conventional early-stage methodologies typically achieve speed by relying on…

We present a versatile open-source pipeline for simulating inhomogeneous reaction-diffusion processes in highly resolved, image-based geometries of porous media with reactive boundaries. Resolving realistic pore-scale geometries in…

Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…

Although diffusion-based models have achieved impressive results in image super-resolution, they often rely on large-scale backbones such as Stable Diffusion XL (SDXL) and Diffusion Transformers (DiT), which lead to excessive computational…

Diffusion models have achieved remarkable success in generating high-fidelity content but suffer from slow, iterative sampling, resulting in high latency that limits their use in interactive applications. We introduce DRiffusion, a parallel…

Deep neural networks (DNNs) have achieved great success in the area of computer vision. The disparity estimation problem tends to be addressed by DNNs which achieve much better prediction accuracy than traditional hand-crafted feature-based…

Swarm intelligence optimization algorithms have gained significant attention due to their ability to solve complex optimization problems. However, the efficiency of optimization in large-scale problems limits the use of related methods.…

Feature caching has emerged as an effective strategy to accelerate diffusion transformer (DiT) sampling through temporal feature reuse. It is a challenging problem since (1) Progressive error accumulation from cached blocks significantly…