scholarly journals High throughput transmission optical projection tomography using low cost graphics processing unit

2009 ◽  
Vol 17 (25) ◽  
pp. 22320 ◽  
Author(s):  
Claudio Vinegoni ◽  
Lyuba Fexon ◽  
Paolo Fumene Feruglio ◽  
Misha Pivovarov ◽  
Jose-Luiz Figueiredo ◽  
...  
Keyword(s):  
High Throughput ◽  
Graphics Processing Unit ◽  
Low Cost ◽  
Processing Unit ◽  
Optical Projection Tomography ◽  
Optical Projection ◽  
Graphics Processing

scholarly journals Fast X-Ray Diffraction (XRD) Tomography for Enhanced Identification of Materials

2021 ◽  
Author(s):  
Airidas Korolkovas ◽  
Alexander Katsevich ◽  
Michael Frenkel ◽  
William Thompson ◽  
Edward Morton
Keyword(s):  
Graphics Processing Unit ◽  
Low Cost ◽  
Photon Counting ◽  
Finite Size ◽  
Processing Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Specific Material ◽  
Xrd Patterns ◽  
Graphics Processing

X-ray computed tomography (CT) can provide 3D images of density, and possibly the atomic number, for large objects like passenger luggage. This information, while generally very useful, is often insufficient to identify threats like explosives and narcotics, which can have a similar average composition as benign everyday materials such as plastics, glass, light metals, etc. A much more specific material signature can be measured with X-ray diffraction (XRD). Unfortunately, XRD signal is very faint compared to the transmitted one, and also challenging to reconstruct for objects larger than a small laboratory sample. In this article we analyze a novel low-cost scanner design which captures CT and XRD signals simultaneously, and uses the least possible collimation to maximize the flux. To simulate a realistic instrument, we derive a formula for the resolution of any diffraction pathway, taking into account the polychromatic spectrum, and the finite size of the source, detector, and each voxel. We then show how to reconstruct XRD patterns from a large phantom with multiple diffracting objects. Our approach includes a reasonable amount of photon counting noise (Poisson statistics), as well as measurement bias, in particular incoherent Compton scattering. The resolution of our reconstruction is sufficient to provide significantly more information than standard CT, thus increasing the accuracy of threat detection. Our theoretical model is implemented in GPU (Graphics Processing Unit) accelerated software which can be used to assess and further optimize scanner designs for specific applications in security, healthcare, and manufacturing quality control.

AN EVALUATION OF MULTIPLE FEED-FORWARD NETWORKS ON GPUs

2011 ◽  
Vol 21 (01) ◽  
pp. 31-47 ◽  
Author(s):  
NOEL LOPES ◽  
BERNARDETE RIBEIRO
Keyword(s):  
Graphics Processing Unit ◽  
Parallel Implementation ◽  
Low Cost ◽  
Back Propagation ◽  
General Purpose ◽  
Training System ◽  
Graphics Hardware ◽  
Processing Unit ◽  
Data Parallel ◽  
Graphics Processing

The Graphics Processing Unit (GPU) originally designed for rendering graphics and which is difficult to program for other tasks, has since evolved into a device suitable for general-purpose computations. As a result graphics hardware has become progressively more attractive yielding unprecedented performance at a relatively low cost. Thus, it is the ideal candidate to accelerate a wide variety of data parallel tasks in many fields such as in Machine Learning (ML). As problems become more and more demanding, parallel implementations of learning algorithms are crucial for a useful application. In particular, the implementation of Neural Networks (NNs) in GPUs can significantly reduce the long training times during the learning process. In this paper we present a GPU parallel implementation of the Back-Propagation (BP) and Multiple Back-Propagation (MBP) algorithms, and describe the GPU kernels needed for this task. The results obtained on well-known benchmarks show faster training times and improved performances as compared to the implementation in traditional hardware, due to maximized floating-point throughput and memory bandwidth. Moreover, a preliminary GPU based Autonomous Training System (ATS) is developed which aims at automatically finding high-quality NNs-based solutions for a given problem.

scholarly journals AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability

2021 ◽  
Vol 22 (14) ◽  
pp. 7489
Author(s):  
Pierre Darme ◽  
Manuel Dauchez ◽  
Arnaud Renard ◽  
Laurence Voutquenne-Nazabadioko ◽  
Dominique Aubert ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
High Performance ◽  
Graphics Processing Unit ◽  
Target Identification ◽  
Computation Time ◽  
Processing Unit ◽  
Biological Target ◽  
Speed Up ◽  
Graphics Processing

Molecular docking is widely used in computed drug discovery and biological target identification, but getting fast results can be tedious and often requires supercomputing solutions. AMIDE stands for AutoMated Inverse Docking Engine. It was initially developed in 2014 to perform inverse docking on High Performance Computing. AMIDE version 2 brings substantial speed-up improvement by using AutoDock-GPU and by pulling a total revision of programming workflow, leading to better performances, easier use, bug corrections, parallelization improvements and PC/HPC compatibility. In addition to inverse docking, AMIDE is now an optimized tool capable of high throughput inverse screening. For instance, AMIDE version 2 allows acceleration of the docking up to 12.4 times for 100 runs of AutoDock compared to version 1, without significant changes in docking poses. The reverse docking of a ligand on 87 proteins takes only 23 min on 1 GPU (Graphics Processing Unit), while version 1 required 300 cores to reach the same execution time. Moreover, we have shown an exponential acceleration of the computation time as a function of the number of GPUs used, allowing a significant reduction of the duration of the inverse docking process on large datasets.

scholarly journals Real-time Visualisation and Analysis of Tera-scale Datasets

2012 ◽  
Vol 10 (H16) ◽  
pp. 679-680
Author(s):  
Christopher J. Fluke
Keyword(s):  
Real Time ◽  
High Performance ◽  
Graphics Processing Unit ◽  
Low Cost ◽  
Processing Unit ◽  
Computing Environments ◽  
Graphics Processing ◽  
Interactive Visualisation ◽  
Performance Computing ◽  
Scale Data

AbstractAs we move ever closer to the Square Kilometre Array era, support for real-time, interactive visualisation and analysis of tera-scale (and beyond) data cubes will be crucial for on-going knowledge discovery. However, the data-on-the-desktop approach to analysis and visualisation that most astronomers are comfortable with will no longer be feasible: tera-scale data volumes exceed the memory and processing capabilities of standard desktop computing environments. Instead, there will be an increasing need for astronomers to utilise remote high performance computing (HPC) resources. In recent years, the graphics processing unit (GPU) has emerged as a credible, low cost option for HPC. A growing number of supercomputing centres are now investing heavily in GPU technologies to provide O(100) Teraflop/s processing. I describe how a GPU-powered computing cluster allows us to overcome the analysis and visualisation challenges of tera-scale data. With a GPU-based architecture, we have moved the bottleneck from processing-limited to bandwidth-limited, achieving exceptional real-time performance for common visualisation and data analysis tasks.

scholarly journals Fast X-Ray Diffraction (XRD) Tomography for Enhanced Identification of Materials

2021 ◽  
Author(s):  
Airidas Korolkovas ◽  
Alexander Katsevich ◽  
Michael Frenkel ◽  
William Thompson ◽  
Edward Morton
Keyword(s):  
Graphics Processing Unit ◽  
Low Cost ◽  
Photon Counting ◽  
Finite Size ◽  
Processing Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Specific Material ◽  
Xrd Patterns ◽  
Graphics Processing

X-ray computed tomography (CT) can provide 3D images of density, and possibly the atomic number, for large objects like passenger luggage. This information, while generally very useful, is often insufficient to identify threats like explosives and narcotics, which can have a similar average composition as benign everyday materials such as plastics, glass, light metals, etc. A much more specific material signature can be measured with X-ray diffraction (XRD). Unfortunately, XRD signal is very faint compared to the transmitted one, and also challenging to reconstruct for objects larger than a small laboratory sample. In this article we analyze a novel low-cost scanner design which captures CT and XRD signals simultaneously, and uses the least possible collimation to maximize the flux. To simulate a realistic instrument, we derive a formula for the resolution of any diffraction pathway, taking into account the polychromatic spectrum, and the finite size of the source, detector, and each voxel. We then show how to reconstruct XRD patterns from a large phantom with multiple diffracting objects. Our approach includes a reasonable amount of photon counting noise (Poisson statistics), as well as measurement bias, in particular incoherent Compton scattering. The resolution of our reconstruction is sufficient to provide significantly more information than standard CT, thus increasing the accuracy of threat detection. Our theoretical model is implemented in GPU (Graphics Processing Unit) accelerated software which can be used to assess and further optimize scanner designs for specific applications in security, healthcare, and manufacturing quality control.

Implementing wide baseline matching algorithms on a graphics processing unit.

2007 ◽  
Author(s):  
Fredrick H. Rothganger ◽  
Kurt W. Larson ◽  
Antonio Ignacio Gonzales ◽  
Daniel S. Myers
Keyword(s):  
Graphics Processing Unit ◽  
Processing Unit ◽  
Wide Baseline Matching ◽  
Graphics Processing

scholarly journals Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?

2021 ◽  
Vol 22 (10) ◽  
pp. 5212
Author(s):  
Andrzej Bak
Keyword(s):  
Molecular Conformation ◽  
Graphics Processing Unit ◽  
Processing Unit ◽  
Diverse Range ◽  
Current State ◽  
Gpu Clusters ◽  
Pharmacophore Hypothesis ◽  
Rising Power ◽  
Graphics Processing ◽  
Ligand Conformation

A key question confronting computational chemists concerns the preferable ligand geometry that fits complementarily into the receptor pocket. Typically, the postulated ‘bioactive’ 3D ligand conformation is constructed as a ‘sophisticated guess’ (unnecessarily geometry-optimized) mirroring the pharmacophore hypothesis—sometimes based on an erroneous prerequisite. Hence, 4D-QSAR scheme and its ‘dialects’ have been practically implemented as higher level of model abstraction that allows the examination of the multiple molecular conformation, orientation and protonation representation, respectively. Nearly a quarter of a century has passed since the eminent work of Hopfinger appeared on the stage; therefore the natural question occurs whether 4D-QSAR approach is still appealing to the scientific community? With no intention to be comprehensive, a review of the current state of art in the field of receptor-independent (RI) and receptor-dependent (RD) 4D-QSAR methodology is provided with a brief examination of the ‘mainstream’ algorithms. In fact, a myriad of 4D-QSAR methods have been implemented and applied practically for a diverse range of molecules. It seems that, 4D-QSAR approach has been experiencing a promising renaissance of interests that might be fuelled by the rising power of the graphics processing unit (GPU) clusters applied to full-atom MD-based simulations of the protein-ligand complexes.

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