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Modern parallel computing devices, such as the graphics processing unit (GPU), have gained significant traction in scientific and statistical computing. They are particularly well-suited to data-parallel algorithms such as the particle…

Computation · Statistics 2015-06-12 Lawrence M. Murray , Anthony Lee , Pierre E. Jacob

In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

Large-scale automated morphometric analysis of brain MRI is limited by the thick-slice, anisotropic acquisitions prevalent in routine clinical practice. Existing generative super-resolution (SR) methods produce visually compelling isotropic…

We present an accelerated pipeline, based on high-performance computing techniques and normalizing flows, for joint Bayesian parameter estimation and model selection and demonstrate its efficiency in gravitational wave astrophysics. We…

Instrumentation and Methods for Astrophysics · Physics 2024-11-01 Alicja Polanska , Thibeau Wouters , Peter T. H. Pang , Kaze K. W. Wong , Jason D. McEwen

As inference on Large Language Models (LLMs) emerges as an important workload in machine learning applications, weight quantization has become a standard technique for efficient GPU deployment. Quantization not only reduces model size, but…

Machine Learning · Computer Science 2024-08-22 Elias Frantar , Roberto L. Castro , Jiale Chen , Torsten Hoefler , Dan Alistarh

We present the GPU implementation of the general-purpose interior-point solver Clarabel for convex optimization problems with conic constraints. We introduce a mixed parallel computing strategy that processes linear constraints first, then…

Optimization and Control · Mathematics 2025-11-04 Yuwen Chen , Danny Tse , Parth Nobel , Paul Goulart , Stephen Boyd

Monte Carlo (MC) simulation is commonly considered to be the most accurate dose calculation method in radiotherapy. However, its efficiency still requires improvement for many routine clinical applications. In this paper, we present our…

Medical Physics · Physics 2015-05-28 Xun Jia , Xuejun Gu , Yan Jiang Graves , Michael Folkerts , Steve B. Jiang

Graphical models are ubiquitous tools to describe the interdependence between variables measured simultaneously such as large-scale gene or protein expression data. Gaussian graphical models (GGMs) are well-established tools for…

Methodology · Statistics 2020-01-09 Nilabja Guha , Veera Baladandayuthapani , Bani K. Mallick

As an important application of spatial databases in pathology imaging analysis, cross-comparing the spatial boundaries of a huge amount of segmented micro-anatomic objects demands extremely data- and compute-intensive operations, requiring…

Databases · Computer Science 2012-08-02 Kaibo Wang , Yin Huai , Rubao Lee , Fusheng Wang , Xiaodong Zhang , Joel H. Saltz

We introduce a GPU-accelerated Monte Carlo framework for nonconvex, free-final-time trajectory optimization problems. This framework makes use of the prox-linear method, which belongs to the larger family of sequential convex programming…

Optimization and Control · Mathematics 2024-04-30 Govind M. Chari , Abhinav G. Kamath , Purnanand Elango , Behçet Açıkmeşe

Parallel imaging is a commonly used technique to accelerate magnetic resonance imaging (MRI) data acquisition. Mathematically, parallel MRI reconstruction can be formulated as an inverse problem relating the sparsely sampled k-space…

Image and Video Processing · Electrical Eng. & Systems 2023-11-23 Ruimin Feng , Qing Wu , Jie Feng , Huajun She , Chunlei Liu , Yuyao Zhang , Hongjiang Wei

This paper presents GraphAGILE, a domain-specific FPGA-based overlay accelerator for graph neural network (GNN) inference. GraphAGILE consists of (1) \emph{a novel unified architecture design} with an \emph{instruction set}, and (2) \emph{a…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-25 Bingyi Zhang , Hanqing Zeng , Viktor Prasanna

In recent years, numerous graph generative models (GGMs) have been proposed. However, evaluating these models remains a considerable challenge, primarily due to the difficulty in extracting meaningful graph features that accurately…

Machine Learning · Computer Science 2025-03-18 Chengen Wang , Murat Kantarcioglu

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

The complex regulatory dynamics of a biological network can be succinctly captured using discrete logic models. Given even sparse time-course data from the system of interest, previous work has shown that global optimization schemes are…

Molecular Networks · Quantitative Biology 2026-04-22 Joyce Reimer , Pranta Saha , Chris Chen , Neeraj Dhar , Brook Byrns , Steven Rayan , Gordon Broderick

Medical imaging plays a vital role in modern diagnostics; however, interpreting high-resolution radiological data remains time-consuming and susceptible to variability among clinicians. Traditional image processing techniques often lack the…

Computer Vision and Pattern Recognition · Computer Science 2025-10-21 Melika Filvantorkaman , Maral Filvan Torkaman

Gaussian Processes (GPs) are vital for modeling and predicting irregularly-spaced, large geospatial datasets. However, their computations often pose significant challenges in large-scale applications. One popular method to approximate GPs…

Computation · Statistics 2025-01-24 Qilong Pan , Sameh Abdulah , Marc G. Genton , Ying Sun

We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono

Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms with broad applications in quantum physics and quantum chemistry. However, as system size increases, VQE optimization is…

Quantum Physics · Physics 2025-07-16 Chi Zhang , Lei Jiang , Fan Chen

Bayesian hyperparameter optimization relies heavily on Gaussian Process (GP) surrogates, due to robust distributional posteriors and strong performance on limited training samples. GPs however underperform in categorical hyperparameter…

Machine Learning · Computer Science 2025-09-23 Riccardo Doyle