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Large language models (LLMs) such as GPT-3, OPT, and LLaMA have demonstrated remarkable accuracy in a wide range of tasks. However, training these models can incur significant expenses, often requiring tens of thousands of GPUs for months…

This living paper reviews the present High Performance Computing (HPC) capabilities of the Tinker-HP molecular modeling package. We focus here on the reference, double precision, massively parallel molecular dynamics engine present in…

As the models and the datasets to train deep learning (DL) models scale, system architects are faced with new challenges, one of which is the memory capacity bottleneck, where the limited physical memory inside the accelerator device…

A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…

Kernel continual learning by \citet{derakhshani2021kernel} has recently emerged as a strong continual learner due to its non-parametric ability to tackle task interference and catastrophic forgetting. Unfortunately its success comes at the…

Processing-in-memory (PIM) architectures bring computation closer to data, reducing the processor-memory transfer bottleneck in traditional processor-centric designs. Novel hardware solutions, such as UPMEM's in-memory processing…

To efficiently scale large model (LM) training, researchers transition from data parallelism (DP) to hybrid parallelism (HP) on GPU clusters, which frequently experience hardware and software failures. Existing works introduce in-memory…

Transition Matching (TM) is an emerging paradigm for generative modeling that generalizes diffusion and flow-matching models as well as continuous-state autoregressive models. TM, similar to previous paradigms, gradually transforms noise…

Homomorphic encryption (HE) allows direct computations on encrypted data. Despite numerous research efforts, the practicality of HE schemes remains to be demonstrated. In this regard, the enormous size of ciphertexts involved in HE…

This work investigates a variant of the conjugate gradient (CG) method and embeds it into the context of high-order finite-element schemes with fast matrix-free operator evaluation and cheap preconditioners like the matrix diagonal. Relying…

Diffusion models achieve superior performance in image generation tasks. However, it incurs significant computation overheads due to its iterative structure. To address these overheads, we analyze this iterative structure and observe that…

The rapidly growing computational demands of deep neural networks require novel hardware designs. Recently, tunable nanoelectronic devices were developed based on hopping electrons through a network of dopant atoms in silicon. These "Dopant…

In recent years, machine-learning methods have become increasingly important for the experiments at the Large Hadron Collider (LHC). They are utilised in everything from trigger systems to reconstruction and data analysis. The recent…

Diffusion Transformers (DiT) have emerged as a widely adopted backbone for high-fidelity image and video generation, yet their iterative denoising process incurs high computational costs. Existing training-free acceleration methods rely on…

Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

Recent years witness a trend of applying large-scale distributed deep learning algorithms (HPC AI) in both business and scientific computing areas, whose goal is to speed up the training time to achieve a state-of-the-art quality. The HPC…

Driven by the tremendous effort in researching novel deep learning (DL) algorithms, the training cost of developing new models increases staggeringly in recent years. We analyze GPU cluster usage statistics from a top research institute for…

Current AI training infrastructure is dominated by single instruction multiple data (SIMD) and systolic array architectures, such as Graphics Processing Units (GPUs) and Tensor Processing Units (TPUs), that excel at accelerating parallel…

Modern data centers (DCs) hosting artificial intelligence (AI)-dedicated devices operate at high power densities with rapidly varying workloads, making minute-level adaptation essential for safe and energy-efficient operation. However,…

The vision of super computer at every desk can be realized by powerful and highly parallel CPUs or GPUs or APUs. Graphics processors once specialized for the graphics applications only, are now used for the highly computational intensive…