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We describe DEVA, a multistep AP3M-like-SPH code particularly designed to study galaxy formation and evolution in connection with the global cosmological model. This code uses a formulation of SPH equations which ensures both energy and…
We developed a semiclassical approximation method in combination with an adaptive moment estimation optimizer (SCA + ADAM) approach based on the PyTorch plus CUDA library on a the graphics processing unit (GPU). This method was employed to…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…
Fluid-Structure Interaction (FSI) is a crucial problem in ocean engineering. The smoothed particle hydrodynamics (SPH) method has been employed recently for FSI problems in light of its Lagrangian nature and its advantage in handling…
We consider the problem of computing persistent homology (PH) for large-scale Euclidean point cloud data, aimed at downstream machine learning tasks, where the exponential growth of the most widely-used Vietoris-Rips complex imposes serious…
The arrival of heterogeneous (or hybrid) multicore architectures has brought new performance trade-offs for applications, and efficiency opportunities to systems. They have also increased the challenges related to thread scheduling, as…
Top-K SpMV is a key component of similarity-search on sparse embeddings. This sparse workload does not perform well on general-purpose NUMA systems that employ traditional caching strategies. Instead, modern FPGA accelerator cards have a…
This study presents scaling results and a performance analysis across different supercomputers and compilers for the Met Office weather and climate model, LFRic. The model is shown to scale to large numbers of nodes which meets the design…
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…
The future of artificial intelligence (AI) acceleration demands a paradigm shift beyond the limitations of purely electronic or photonic architectures. Photonic analog computing delivers unmatched speed and parallelism but struggles with…
The recently introduced coder based on region-adaptive hierarchical transform (RAHT) for the compression of point clouds attributes, was shown to have a performance competitive with the state-of-the-art, while being much less complex. In…
The rapid adoption of large language models and multimodal foundation models has made multimodal data preparation pipelines critical AI infrastructure. These pipelines interleave CPU-heavy preprocessing with accelerator-backed (GPU/NPU/TPU)…
This paper proposes and validates two new particle regularization techniques for the Smoothed Particle Hydrodynamics (SPH) numerical method to improve its stability and accuracy for free surface flow simulations. We introduce a general form…
Numerical radiation-hydrodynamics (RHD) for non-relativistic flows is a challenging problem because it encompasses processes acting over a very broad range of timescales, and where the relative importance of these processes often varies by…
Large language model (LLM) decoding is a major inference bottleneck because its low arithmetic intensity makes performance highly sensitive to memory bandwidth. 3D-stacked near-memory processing (NMP) provides substantially higher local…
Determining the ideal architecture for deep learning models, such as the number of layers and neurons, is a difficult and resource-intensive process that frequently relies on human tuning or computationally costly optimization approaches.…
We present Phantom, a fast, parallel, modular and low-memory smoothed particle hydrodynamics and magnetohydrodynamics code developed over the last decade for astrophysical applications in three dimensions. The code has been developed with a…
Low-rank adaptation (LoRA) is a predominant parameter-efficient finetuning method for adapting large language models (LLMs) to downstream tasks. Meanwhile, Compute-in-Memory (CIM) architectures demonstrate superior energy efficiency due to…
Large scale simulations are a key pillar of modern research and require ever-increasing computational resources. Different novel manycore architectures have emerged in recent years on the way towards the exascale era. Performance…