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Late-interaction retrieval (ColBERT, ColPali) scores a query against a document with the MaxSim operator: for every query token, the maximum similarity over the document tokens, summed over query tokens. The standard implementation…

Attention, as a core layer of the ubiquitous Transformer architecture, is the bottleneck for large language models and long-context applications. While FlashAttention-3 optimized attention for Hopper GPUs through asynchronous execution and…

We report an efficient algorithm for calculating momentum-space integrals in solid state systems on modern graphics processing units (GPUs). Our algorithm is based on the tetrahedron method, which we demonstrate to be ideally suited for…

We have preliminary results on the parallelization of a Tree-Code for evaluating gravitational forces in N-body astrophysical systems. For our Cray T3D/CRAFT implementation, we have obtained an encouraging speed-up behavior, which reaches a…

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…

This paper describes some applications of GPU acceleration in ab initio nuclear structure calculations. Specifically, we discuss GPU acceleration of the software package MFDn, a parallel nuclear structure eigensolver. We modify the matrix…

The conservative Post-Newtonian (PN) Hamiltonian formulation of spinning compact binaries has six integrals of motion including the total energy, the total angular momentum and the constant unit lengths of spins. The manifold correction…

We introduce FastGraph, a novel GPU-optimized k-nearest neighbor algorithm specifically designed to accelerate graph construction in low-dimensional spaces (2-10 dimensions), critical for high-performance graph neural networks. Our method…

Modern graphics processing units (GPUs) lead to a major increase in the performance of the computation of astrophysical simulations. Owing to the different nature of GPU architecture compared to traditional central processing units (CPUs)…

Oscillation probability calculations are becoming increasingly CPU intensive in modern neutrino oscillation analyses. The independency of reweighting individual events in a Monte Carlo sample lends itself to parallel implementation on a…

We present a generic parallel implementation of the decision tree-based machine learning (ML) method in hardware description language (HDL) on field programmable gate arrays (FPGA). A regression problem in high energy physics at the Large…

Our formulation reveals that the reduction across the sequence axis can be efficiently computed in parallel through a tree reduction. Our algorithm, called Tree Attention, for parallelizing exact attention computation across multiple GPUs…

A new implementation of many-body calculations is of paramount importance in the field of computational physics. In this study, we leverage the capabilities of Field Programmable Gate Arrays (FPGAs) for conducting quantum many-body…

We present a real-space computational method called treecode-accelerated Green Iteration (TAGI) for all-electron Kohn-Sham Density Functional Theory. TAGI is based on a reformulation of the Kohn-Sham equations in which the eigenvalue…

This paper presents a GPU-accelerated computational framework for reconstructing high resolution (HR) LF images under a mixed Gaussian-Impulse noise condition. The main focus is on developing a high-performance approach considering…

In this paper we focus on the integration of high-performance numerical libraries in ab initio codes and the portability of performance and scalability. The target of our work is FLEUR, a software for electronic structure calculations…

SHAP (SHapley Additive exPlanation) values provide a game theoretic interpretation of the predictions of machine learning models based on Shapley values. While exact calculation of SHAP values is computationally intractable in general, a…

In this paper, we present the details of our multi-node GPU-FFT library, as well its scaling on Selene HPC system. Our library employs slab decomposition for data division and MPI for communication among GPUs. We performed GPU-FFT on…

Point cloud registration sits at the core of many important and challenging 3D perception problems including autonomous navigation, SLAM, object/scene recognition, and augmented reality. In this paper, we present a new registration…

Adaptive finite elements combined with geometric multigrid solvers are one of the most efficient numerical methods for problems such as the instationary Navier-Stokes equations. Yet despite their efficiency, computations remain expensive…