Background: Over the last years, substantial effort has been put into enhancing our arsenal in fighting epidemics from both technological and theoretical perspectives with scientists from different fields teaming up for rapid assessment of potentially urgent situations. This paper focusses on the computational aspects of infectious disease models and applies commonly available graphics processing units (GPUs) for the simulation of these models. However, fully utilizing the resources of both CPUs and GPUs requires a carefully balanced heterogeneous approach.
Results: The contribution of this paper is twofold. First, an efficient GPU implementation for evaluating a small-scale ODE model; here, the basic S(usceptible)-I(nfected)-R(ecovered) model, is discussed. Second, an asynchronous particle swarm optimization (PSO) implementation is proposed where batches of particles are sent asynchronously from the host (CPU) to the GPU for evaluation. The ultimate goal is to infer model parameters that enable the model to correctly describe observed data. The particles of the PSO algorithm are candidate parameters of the model; finding the right one is a matter of optimizing the likelihood function which quantifies how well the model describes the observed data. By employing a heterogeneous approach, in which both CPU and GPU are kept busy with useful work, speedups of 10 to 12 times can be achieved on a moderate machine with a high-end consumer GPU as compared to a high-end system with 32 CPU cores.
Conclusions: Utilizing GPUs for parameter inference can bring considerable increases in performance using average host systems with high-end consumer GPUs. Future studies should evaluate the benefit of using newer CPU and GPU architectures as well as applying this method to more complex epidemiological scenarios.
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http://dx.doi.org/10.1186/s12859-018-2108-3 | DOI Listing |
J Phys Chem A
January 2025
Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
We introduce the first version of GPU4PySCF, a module that provides GPU acceleration of methods in PySCF. As a core functionality, this provides a GPU implementation of two-electron repulsion integrals (ERIs) for contracted basis sets comprising up to functions using the Rys quadrature. As an illustration of how this can accelerate a quantum chemistry workflow, we describe how to use the ERIs efficiently in the integral-direct Hartree-Fock build and nuclear gradient construction.
View Article and Find Full Text PDFFront Robot AI
January 2025
Department of Materials and Production, Aalborg University, Aalborg, Denmark.
Object pose estimation is essential for computer vision applications such as quality inspection, robotic bin picking, and warehouse logistics. However, this task often requires expensive equipment such as 3D cameras or Lidar sensors, as well as significant computational resources. Many state-of-the-art methods for 6D pose estimation depend on deep neural networks, which are computationally demanding and require GPUs for real-time performance.
View Article and Find Full Text PDFAnal Chem
January 2025
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-41061, United States.
Glow discharge optical emission spectrometry (GDOES) allows fast and simultaneous multielemental analysis directly from solids and depth profiling down to the nanometer scale, which is critical for thin-film (TF) characterization. Nevertheless, operating conditions for the best limits of detection (LODs) are compromised in lieu of the best sputtering crater shapes for depth resolution. In addition, the fast transient signals from ultra-TFs do not permit the optimal sampling statistics of bulk analysis such that LODs are further compromised.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Mechanical Engineering, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, PA, USA.
Effective heat dissipation remains a grand challenge for energy-dense devices and systems. As heterogeneous integration becomes increasingly inevitable in electronics, thermal resistance at interfaces has emerged as a critical bottleneck for thermal management. However, existing thermal interface solutions are constrained by either high thermal resistance or poor reliability.
View Article and Find Full Text PDFNeural Netw
December 2024
Department of Earth Science and Engineering, Imperial College London, Prince Consort Road, London SW7 2BP, UK; Centre for AI-Physics Modelling, Imperial-X, White City Campus, Imperial College London, W12 7SL, UK.
Machine learning (ML) has benefited from both software and hardware advancements, leading to increasing interest in capitalising on ML throughout academia and industry. There have been efforts in the scientific computing community to leverage this development via implementing conventional partial differential equation (PDE) solvers with machine learning packages, most of which rely on structured spatial discretisation and fast convolution algorithms. However, unstructured meshes are favoured in problems with complex geometries.
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