Accelerated Modeling of Near and Far-Field Diffraction for Coronagraphic Optical Systems

Accurately predicting the performance of coronagraphs and tolerancing optical surfaces for high-contrast imaging requires a detailed accounting of diffraction effects. Unlike simple Fraunhofer diffraction modeling, near and far-field diffraction effects, such as the Talbot effect, are captured by plane-to-plane propagation using Fresnel and angular spectrum propagation. This approach requires a sequence of computationally intensive Fourier transforms and quadratic phase functions, which limit the design and aberration sensitivity parameter space which can be explored at high-fidelity in the course of coronagraph design. This study presents the results of optimizing the multi-surface propagation module of the open source Physical Optics Propagation in PYthon (POPPY) package. This optimization was performed by implementing and benchmarking Fourier transforms and array operations on graphics processing units, as well as optimizing multithreaded numerical calculations using the NumExpr python library where appropriate, to speed the end-to-end simulation of observatory and coronagraph optical systems. Using realistic systems, this study demonstrates a greater than five-fold decrease in wall-clock runtime over POPPY's previous implementation and describes opportunities for further improvements in diffraction modeling performance.Comment: Presented at SPIE ASTI 2018, Austin Texas. 11 pages, 6 figure

JDFTx: software for joint density-functional theory

Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate predictions of new classes of materials and properties, and for connecting to nano- and mesoscale properties using coarse-grained theories. JDFTx is a fully-featured open-source electronic DFT software designed specifically to facilitate rapid development of new theories, models and algorithms. Using an algebraic formulation as an abstraction layer, compact C++11 code automatically performs well on diverse hardware including GPUs. This code hosts the development of joint density-functional theory (JDFT) that combines electronic DFT with classical DFT and continuum models of liquids for first-principles calculations of solvated and electrochemical systems. In addition, the modular nature of the code makes it easy to extend and interface with, facilitating the development of multi-scale toolkits that connect to ab initio calculations, e.g. photo-excited carrier dynamics combining electron and phonon calculations with electromagnetic simulations.Comment: 9 pages, 3 figures, 2 code listing

The inherent overlapping in the parallel calculation of the Laplacian

Producción CientíficaA new approach for the parallel computation of the Laplacian in the Fourier domain is presented. This numerical problem inherits the intrinsic sequencing involved in the calculation of any multidimensional Fast Fourier Transform (FFT) where blocking communications assure that its computation is strictly carried out dimension by dimension. Such data dependency vanishes when one considers the Laplacian as the sum of n independent one-dimensional kernels, so that computation and communication can be naturally overlapped with nonblocking communications. Overlapping is demonstrated to be responsible for the speedup figures we obtain when our approach is compared to state-of-the-art parallel multidimensional FFTs.Junta de Castilla León (grant number VA296P18

Distributed Partial Differential Equation Solving with Julia Fast Fourier Transform Library

Scientific computing relies on advanced computational and mathematical techniques to solve complex problems in scientific domains. For the numerical rendering of spectral, nonlinear, and dynamic phenomena, there is a growing need for greater availability of a broad class of Fourier-based algorithms to perform large scale operations on multidimensional data in distributed and optimized ways. To this effect, the Julia programming language is new and has significant advantages compared to other common languages used in scientific computing. The research presented here formulates a basis for further development in high-performance scientific computing of periodic partial differential equations through the application of distributed Fast Fourier Transforms in Julia with the PencilFFTs.jl library

Audio convolution on GPUs: a follow-up

This paper focuses on the use of GPGPU (General- Purpose computing on Graphics Processing Units) for audio processing. This is a promising approach to problems where a high parallelization of tasks is desirable. Within the context of binaural spatialization we will develop a convolution engine having in mind both offine and real-time scenarios, and the support for multiple sound sources. Details on implementations and strategies used with both dominant technologies, namely CUDA and OpenCL, will be presented highlighting both advantages and issues. Comparisons between this approach and typical CPU implementations will be presented as well as between frequency (FFT) and time-domain approaches. Results will show that benefits exist in terms of execution time for a number of situations

Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). Quantum ESPRESSO stands for "opEn Source Package for Research in Electronic Structure, Simulation, and Optimization". It is freely available to researchers around the world under the terms of the GNU General Public License. Quantum ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively-parallel architectures, and a great effort being devoted to user friendliness. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.Comment: 36 pages, 5 figures, resubmitted to J.Phys.: Condens. Matte

Computational Physics on Graphics Processing Units

The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing on classical molecular dynamics, and on quantum simulations for electronic structure calculations using the density functional theory, wave function techniques, and quantum field theory.Comment: Proceedings of the 11th International Conference, PARA 2012, Helsinki, Finland, June 10-13, 201

Filter Optimization for Personal Sound Zones Systems

[ES] Los sistemas de zonas de sonido personal (o sus siglas en inglés PSZ) utilizan altavoces y técnicas de procesado de señal para reproducir sonidos distintos en diferentes zonas de un mismo espacio compartido. Estos sistemas se han popularizado en los últimos años debido a la amplia gama de aplicaciones que podrían verse beneficiadas por la generación de zonas de escucha individuales. El diseño de los filtros utilizados para procesar las señales de sonido es uno de los aspectos más importantes de los sistemas PSZ, al menos para las frecuencias bajas y medias. En la literatura se han propuesto diversos algoritmos para calcular estos filtros, cada uno de ellos con sus ventajas e inconvenientes. En el presente trabajo se revisan los algoritmos para sistemas PSZ propuestos en la literatura y se evalúa experimentalmente su rendimiento en un entorno reverberante. Los distintos algoritmos se comparan teniendo en cuenta aspectos como el aislamiento acústico entre zonas, el error de reproducción, la energía de los filtros y el retardo del sistema. Además, se estudian estrategias computacionalmente eficientes para obtener los filtros y también se compara su complejidad computacional. Los resultados experimentales obtenidos revelan que las soluciones existentes no pueden ofrecer una complejidad computacional baja y al mismo tiempo un buen rendimiento con baja latencia. Por ello se propone un nuevo algoritmo basado en el filtrado subbanda, y se demuestra experimentalmente que este algoritmo mitiga las limitaciones de los algoritmos existentes. Asimismo, este algoritmo ofrece una mayor versatilidad que los algoritmos existentes, ya que se pueden utilizar configuraciones distintas en cada subbanda, como por ejemplo, diferentes longitudes de filtro o distintos conjuntos de altavoces. Por último, se estudia la influencia de las respuestas objetivo en la optimización de los filtros y se propone un nuevo método en el que se aplica una ventana temporal a estas respuestas. El método propuesto se evalúa experimentalmente en dos salas con diferentes tiempos de reverberación y los resultados obtenidos muestran que se puede reducir la energía de las interferencias entre zonas gracias al efecto de la ventana temporal.[CA] Els sistemes de zones de so personal (o les seves sigles en anglés PSZ) fan servir altaveus i tècniques de processament de senyal per a reproduir sons distints en diferents zones d'un mateix espai compartit. Aquests sistemes s'han popularitzat en els últims anys a causa de l'àmplia gamma d'aplicacions que podrien veure's beneficiades per la generació de zones d'escolta individuals. El disseny dels filtres utilitzats per a processar els senyals de so és un dels aspectes més importants dels sistemes PSZ, particularment per a les freqüències baixes i mitjanes. En la literatura s'han proposat diversos algoritmes per a calcular aquests filtres, cadascun d'ells amb els seus avantatges i inconvenients. En aquest treball es revisen els algoritmes proposats en la literatura per a sistemes PSZ i s'avalua experimentalment el seu rendiment en un entorn reverberant. Els distints algoritmes es comparen tenint en compte aspectes com l'aïllament acústic entre zones, l'error de reproducció, l'energia dels filtres i el retard del sistema. A més, s'estudien estratègies de còmput eficient per obtindre els filtres i també es comparen les seves complexitats computacionals. Els resultats experimentals obtinguts revelen que les solucions existents no poder oferir al mateix temps una complexitat computacional baixa i un bon rendiment amb latència baixa. Per això es proposa un nou algoritme basat en el filtrat subbanda que mitiga aquestes limitacions. A més, l'algoritme proposat ofereix una major versatilitat que els algoritmes existents, ja que en cada subbanda el sistema pot utilitzar configuracions diferents, com per exemple, distintes longituds de filtre o distints conjunts d'altaveus. L'algoritme proposat s'avalua experimentalment en un entorn reverberant, i es mostra com pot mitigar satisfactòriament les limitacions dels algoritmes existents. Finalment, s'estudia la influència de les respostes objectiu en l'optimització dels filtres i es proposa un nou mètode en el que s'aplica una finestra temporal a les respostes objectiu. El mètode proposat s'avalua experimentalment en dues sales amb diferents temps de reverberació i els resultats obtinguts mostren que es pot reduir el nivell d'interferència entre zones grècies a l'efecte de la finestra temporal.[EN] Personal Sound Zones (PSZ) systems deliver different sounds to a number of listeners sharing an acoustic space through the use of loudspeakers together with signal processing techniques. These systems have attracted a lot of attention in recent years because of the wide range of applications that would benefit from the generation of individual listening zones, e.g., domestic or automotive audio applications. A key aspect of PSZ systems, at least for low and mid frequencies, is the optimization of the filters used to process the sound signals. Different algorithms have been proposed in the literature for computing those filters, each exhibiting some advantages and disadvantages. In this work, the state-of-the-art algorithms for PSZ systems are reviewed, and their performance in a reverberant environment is evaluated. Aspects such as the acoustic isolation between zones, the reproduction error, the energy of the filters, and the delay of the system are considered in the evaluations. Furthermore, computationally efficient strategies to obtain the filters are studied, and their computational complexity is compared too. The performance and computational evaluations reveal the main limitations of the state-of-the-art algorithms. In particular, the existing solutions can not offer low computational complexity and at the same time good performance for short system delays. Thus, a novel algorithm based on subband filtering that mitigates these limitations is proposed for PSZ systems. In addition, the proposed algorithm offers more versatility than the existing algorithms, since different system configurations, such as different filter lengths or sets of loudspeakers, can be used in each subband. The proposed algorithm is experimentally evaluated and tested in a reverberant environment, and its efficacy to mitigate the limitations of the existing solutions is demonstrated. Finally, the effect of the target responses in the optimization is discussed, and a novel approach that is based on windowing the target responses is proposed. The proposed approach is experimentally evaluated in two rooms with different reverberation levels. The evaluation results reveal that an appropriate windowing of the target responses can reduce the interference level between zones.Molés Cases, V. (2022). Filter Optimization for Personal Sound Zones Systems [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/18611