Related papers: Hybrid Parallelization of Euler-Lagrange Simulatio…
Sparse matrix-matrix multiplication (or SpGEMM) is a key primitive for many high-performance graph algorithms as well as for some linear solvers, such as algebraic multigrid. The scaling of existing parallel implementations of SpGEMM is…
Boundary value problems involving elliptic PDEs such as the Laplace and the Helmholtz equations are ubiquitous in mathematical physics and engineering. Many such problems can be alternatively formulated as integral equations that are…
The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…
Processing massive application graphs on distributed memory systems requires to map the graphs onto the system's processing elements (PEs). This task becomes all the more important when PEs have non-uniform communication costs or the input…
We present algorithmic improvements for fast and memory-efficient use of discrete spatial symmetries in Exact Diagonalization computations of quantum many-body systems. These techniques allow us to work flexibly in the reduced basis of…
Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…
Large reasoning models (LRMs) combined with retrieval-augmented generation (RAG) have enabled deep research agents capable of multi-step reasoning with external knowledge retrieval. However, we find that existing approaches rarely…
Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…
We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm using MPI (Message Passing Interface) with OpenMP threads for…
In this paper we evaluate the performance of Unified Parallel C (which implements the partitioned global address space programming model) using a numerical method that is widely used in fluid dynamics. In order to evaluate the incremental…
This article introduces HYLU, a hybrid parallel LU factorization-based general-purpose solver designed for efficiently solving sparse linear systems (Ax=b) on multi-core shared-memory architectures. The key technical feature of HYLU is the…
The problem of task scheduling with communication delays is strongly NP-hard. State-space search algorithms such as A* have been shown to be a promising approach to solving small to medium sized instances optimally. A recently proposed…
Persistent homology is a popular and powerful tool for capturing topological features of data. Advances in algorithms for computing persistent homology have reduced the computation time drastically -- as long as the algorithm does not…
Particle size measurement based on digital holography with conventional algorithms are usually time-consuming and susceptible to noises associated with hologram quality and particle complexity, limiting its usage in a broad range of…
Due to rapid data growth, statistical analysis of massive datasets often has to be carried out in a distributed fashion, either because several datasets stored in separate physical locations are all relevant to a given problem, or simply to…
Generalized sparse matrix-matrix multiplication is a key primitive for many high performance graph algorithms as well as some linear solvers such as multigrid. We present the first parallel algorithms that achieve increasing speedups for an…
Flows in which the primary features of interest do not rely on high-frequency acoustic effects, but in which long-wavelength acoustics play a nontrivial role, present a computational challenge. Integrating the entire domain with…
A simple method for improving cache efficiency of serial and parallel explicit finite procedure with application to casting solidification simulation over three-dimensional complex geometries is presented. The method is based on division of…
Particle-laden effects in high-speed flows require a coupled Euler and Lagrangian prediction technique with varying fidelity of thermochemical models, depending on the simulation conditions of interest. This requirement makes the…
An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into…