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exa-AMD is a Python-based application designed to accelerate the discovery and design of functional materials by integrating AI/ML tools, materials databases, and quantum mechanical calculations into scalable, high-performance workflows.…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-27 Maxim Moraru , Weiyi Xia , Zhuo Ye , Feng Zhang , Yongxin Yao , Ying Wai Li , Cai-Zhuang Wang

The PC algorithm is the state-of-the-art algorithm for causal structure discovery on observational data. It can be computationally expensive in the worst case due to the conditional independence tests are performed in an…

Machine Learning · Computer Science 2021-09-13 Kai Zhang , Chao Tian , Kun Zhang , Todd Johnson , Xiaoqian Jiang

Approximate nearest neighbor search (ANNS) is a core problem in machine learning and information retrieval applications. GPUs offer a promising path to high-performance ANNS: they provide massive parallelism for distance computations, are…

Databases · Computer Science 2026-02-05 Hunter McCoy , Zikun Wang , Prashant Pandey

We consider deployment of the particle filter on modern massively parallel hardware architectures, such as Graphics Processing Units (GPUs), with a focus on the resampling stage. While standard multinomial and stratified resamplers require…

Computation · Statistics 2012-02-29 Lawrence Murray

As large language models (LLMs) scale out with tensor parallelism (TP) and pipeline parallelism (PP) and production stacks have aggressively optimized the data plane (attention/GEMM and KV cache), sampling, the decision plane that turns…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-02 Bohan Zhao , Zane Cao , Yongchao He

Given a multivariate data set, sparse principal component analysis (SPCA) aims to extract several linear combinations of the variables that together explain the variance in the data as much as possible, while controlling the number of…

Machine Learning · Statistics 2020-05-08 Peter Richtárik , Majid Jahani , Selin Damla Ahipaşaoğlu , Martin Takáč

Multiprocessor task scheduling is an important and computationally difficult problem. This paper proposes a comparison study of genetic algorithm and list scheduling algorithm. Both algorithms are naturally parallelizable but have heavy…

Performance · Computer Science 2010-02-08 S. R. Vijayalakshmi , G. Padmavathi

Surrogate models have become ubiquitous in science and engineering for their capability of emulating expensive computer codes, necessary to model and investigate complex phenomena. Bayesian emulators based on Gaussian processes adequately…

Computation · Statistics 2017-08-02 A. Garbuno-Inigo , F. A. DiazDelaO , K. M. Zuev

As the acquisition cost of the graphics processing unit (GPU) has decreased, personal computers (PC) can handle optimization problems nowadays. In optimization computing, intelligent swarm algorithms (SIAs) method is suitable for…

Neural and Evolutionary Computing · Computer Science 2021-10-05 Wei-Chang Yeh , Zhenyao Liu , Shi-Yi Tan , Shang-Ke Huang

Sparse General Matrix-Matrix Multiplication (SpGEMM) is a fundamental operation in numerous scientific computing and data analytics applications, often bottlenecked by irregular memory access patterns. This paper presents Hash based…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-16 Shiju Li , Younghoon Min , Hane Yie , Hoshik Kim , Soohong Ahn , Joonseop Sim , Chul-Ho Lee , Jongryool Kim

Single-cell sequencing technologies reveal cellular heterogeneity at high resolution, advancing our understanding of biological complexity. As datasets start to scale to tens of millions of cells, computational workflows face substantial…

Layer assignment is critical for global routing of VLSI circuits. It converts 2D routing paths into 3D routing solutions by determining the proper metal layer for each routing segments to minimize congestion and via count. As different…

Hardware Architecture · Computer Science 2026-01-08 Chunyuan Zhao , Zizheng Guo , Zuodong Zhang , Yibo Lin

Self-supervised adaptation (SSA) improves foundation model transfer to medical domains but is computationally prohibitive. Although parameter efficient fine-tuning methods such as LoRA have been explored for supervised adaptation, their…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Moein Sorkhei , Emir Konuk , Jingyu Guo , Chanjuan Meng , Christos Matsoukas , Kevin Smith

Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-30 Mufakir Qamar Ansari , Mudabir Qamar Ansari

This work proposes a Processing-In-Sensor Accelerator, namely PISA, as a flexible, energy-efficient, and high-performance solution for real-time and smart image processing in AI devices. PISA intrinsically implements a coarse-grained…

Hardware Architecture · Computer Science 2022-02-21 Shaahin Angizi , Sepehr Tabrizchi , Arman Roohi

X-ray ptychography imaging at synchrotron facilities like the Advanced Photon Source (APS) involves controlling instrument hardwares to collect a set of diffraction patterns from overlapping coherent illumination spots on extended samples,…

Instrumentation and Detectors · Physics 2022-02-10 Ke Yue , Junjing Deng , Yi Jiang , Youssef Nashed , David Vine , Stefan Vogt

This paper presents an underlying framework for both automating and accelerating malware classification, more specifically, mapping malicious executables to known Advanced Persistent Threat (APT) groups. The main feature of this analysis is…

Cryptography and Security · Computer Science 2025-04-23 Noah Subedar , Taeui Kim , Saathwick Venkataramalingam

Spectral clustering is one of the most popular graph clustering algorithms, which achieves the best performance for many scientific and engineering applications. However, existing implementations in commonly used software platforms such as…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-14 Yu Jin , Joseph F. JaJa

It is time-consuming and error-prone to implement inference procedures for each new probabilistic model. Probabilistic programming addresses this problem by allowing a user to specify the model and having a compiler automatically generate…

This paper presents a practical GPU-accelerated convex hull algorithm and a novel Sorting-based Preprocessing Approach (SPA) for planar point sets. The proposed algorithm consists of two stages: (1) two rounds of preprocessing performed on…

Computational Geometry · Computer Science 2016-05-24 Gang Mei