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The scaling of computation throughput continues to outpace improvements in memory bandwidth, making many deep learning workloads memory-bound. Kernel fusion is a key technique to alleviate this problem, but the fusion strategies of existing…

The computational sparsity of Mixture-of-Experts (MoE) models enables sub-linear growth in compute cost as model size increases, thus offering a scalable path to training massive neural networks. However, existing implementations suffer…

Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels…

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…

While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and…

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…

The reliability of cardiovascular computational models depends on the accurate solution of the hemodynamics, the realistic characterization of the hyperelastic and electric properties of the tissues along with the correct description of…

Graph Neural Networks (GNNs) have shown great superiority on non-Euclidean graph data, achieving ground-breaking performance on various graph-related tasks. As a practical solution to train GNN on large graphs with billions of nodes and…

Entropic optimal transport (EOT) via Sinkhorn iterations is widely used in modern machine learning, yet GPU solvers remain inefficient at scale. Tensorized implementations suffer quadratic HBM traffic from dense $n\times m$ interactions,…

Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…

We present FlashFolio, a GPU-accelerated solver for single-period and multi-period portfolio optimization with factor-based risk modeling, bid-offer spread costs, and nonlinear market impact. These models are widely used in portfolio…

This paper explores strategies to transform an existing CPU-based high-performance computational fluid dynamics solver, HyPar, for compressible flow simulations on emerging exascale heterogeneous (CPU+GPU) computing platforms. The…

Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models…

This paper presents the design and evaluation of a GPU-accelerated inference pipeline for transformer models using NVIDIA TensorRT with mixed-precision optimization. We evaluate BERT-base (110M parameters) and GPT-2 (124M parameters) across…

Epidemiology models are central in understanding and controlling large scale pandemics. Several epidemiology models require simulation-based inference such as Approximate Bayesian Computation (ABC) to fit their parameters to observations.…

Graph analysis performs many random reads and writes, thus, these workloads are typically performed in memory. Traditionally, analyzing large graphs requires a cluster of machines so the aggregate memory exceeds the graph size. We…

Graph analytics are vital in fields such as social networks, biomedical research, and graph neural networks (GNNs). However, traditional CPUs and GPUs struggle with the memory bottlenecks caused by large graph datasets and their…

The risk of reinsurance portfolios covering globally occurring natural catastrophes, such as earthquakes and hurricanes, is quantified by employing simulations. These simulations are computationally intensive and require large amounts of…

Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the…