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Chemistry Foundation Models (CFMs) that leverage Graph Neural Networks (GNNs) operating on 3D molecular graph structures are becoming indispensable tools for computational chemists and materials scientists. These models facilitate the…

In this paper we propose an extension to the Fuzzy Cognitive Maps (FCMs) that aims at aggregating a number of reasoning tasks into a one parallel run. The described approach consists in replacing real-valued activation levels of concepts…

Artificial Intelligence · Computer Science 2015-12-31 Piotr Szwed

Diffusion models have exhibited exciting capabilities in generating images and are also very promising for video creation. However, the inference speed of diffusion models is limited by the slow sampling process, restricting its use cases.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-05 XiuYu Zhang , Zening Luo , Michelle E. Lu

A projection-based immersed boundary method is dominated by sparse linear algebra routines. Using the open-source Cusp library, we observe a speedup (with respect to a single CPU core) which reflects the constraints of a bandwidth-dominated…

Computational Engineering, Finance, and Science · Computer Science 2016-04-12 Simon K Layton , Anush Krishnan , Lorena A. Barba

We present an implementation of phaseless Auxiliary-Field Quantum Monte Carlo (ph-AFQMC) utilizing graphical processing units (GPUs). The AFQMC method is recast in terms of matrix operations which are spread across thousands of processing…

Computational Physics · Physics 2018-09-07 James Shee , Evan J. Arthur , Shiwei Zhang , David R. Reichman , Richard A. Friesner

Multimodal image alignment involves finding spatial correspondences between volumes varying in appearance and structure. Automated alignment methods are often based on local optimization that can be highly sensitive to their initialization.…

Image and Video Processing · Electrical Eng. & Systems 2024-10-28 Johan Öfverstedt , Joakim Lindblad , Nataša Sladoje

We present a novel, JAX-powered implementation of a parametric component-separation method for CMB polarization data, explicitly designed to handle spatially varying foreground Spectral Energy Distributions (SEDs). The approach models this…

In this paper, we propose a fast fully convolutional neural network (FCNN) for crowd segmentation. By replacing the fully connected layers in CNN with 1 by 1 convolution kernels, FCNN takes whole images as inputs and directly outputs…

Computer Vision and Pattern Recognition · Computer Science 2014-11-18 Kai Kang , Xiaogang Wang

We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…

Chemical Physics · Physics 2026-03-27 Rui Li , Xing Zhang , Qiming Sun , Yuanheng Wang , Junjie Yang , Garnet Kin-Lic Chan

A new segmentation fusion method is proposed that ensembles the output of several segmentation algorithms applied on a remotely sensed image. The candidate segmentation sets are processed to achieve a consensus segmentation using a…

Computer Vision and Pattern Recognition · Computer Science 2016-11-17 Mete Ozay , Fatos T. Yarman Vural , Sanjeev R. Kulkarni , H. Vincent Poor

Cluster analysis which focuses on the grouping and categorization of similar elements is widely used in various fields of research. Inspired by the phenomenon of atomic fission, a novel density-based clustering algorithm is proposed in this…

Machine Learning · Computer Science 2020-04-28 Shizhan Lu

Pixel intensity is a widely used feature for clustering and segmentation algorithms, the resulting segmentation using only intensity values might suffer from noises and lack of spatial context information. Wavelet transform is often used…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Junyu Chen , Eric C. Frey

The graphics processing unit (GPU) has emerged as a powerful and cost effective processor for general performance computing. GPUs are capable of an order of magnitude more floating-point operations per second as compared to modern central…

Computation · Statistics 2012-07-24 Mark Franey , Pritam Ranjan , Hugh Chipman

Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Computational Physics · Physics 2015-12-18 C. L. Jermain , G. E. Rowlands , R. A. Buhrman , D. C. Ralph

Convolutional gridding is a processor-intensive step in interferometric imaging. While it is possible to use graphics processing units (GPUs) to accelerate this operation, existing methods use only a fraction of the available flops. We…

Instrumentation and Methods for Astrophysics · Physics 2016-06-29 Bruce Merry

We develop a novel parallel resampling algorithm for fully parallelized particle filters, which is designed with GPUs (graphics processing units) or similar parallel computing devices in mind. With our new algorithm, a full cycle of…

Computation · Statistics 2016-08-17 Kenichiro McAlinn , Teruo Nakatsuma

Clustering multivariate time series data is a crucial task in many domains, as it enables the identification of meaningful patterns and groups in time-evolving data. Traditional approaches, such as crisp clustering, rely on the assumption…

Methodology · Statistics 2025-09-05 Ziling Ma , Ángel López-Oriona , Hernando Ombao , Ying Sun

This report presents the results of a proposed multi-scale fusion-based single image de-hazing algorithm, which can also be used for underwater image enhancement. Furthermore, the algorithm was designed for very fast operation and minimal…

Computer Vision and Pattern Recognition · Computer Science 2018-08-30 Uche A. Nnolim

Clustering is an extensive research area in data science. The aim of clustering is to discover groups and to identify interesting patterns in datasets. Crisp (hard) clustering considers that each data point belongs to one and only one…

Machine Learning · Computer Science 2018-08-02 Aybükë Oztürk , Stéphane Lallich , Jérôme Darmont , Sylvie Yona Waksman

High-performance learned image compression codecs require flexible probability models to fit latent representations. Gaussian Mixture Models (GMMs) were proposed to satisfy this demand, but suffer from a significant runtime performance…

Image and Video Processing · Electrical Eng. & Systems 2025-09-24 Shimon Murai , Fangzheng Lin , Jiro Katto