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Multi-dimensional multiplexing optical secret sharing framework with cascaded liquid crystal holograms 被引量:3
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作者 Keyao Li Yiming Wang +6 位作者 Dapu Pi Baoli Li Haitao Luan Xinyuan Fang Peng Chen Yanqing Lu Min Gu 《Opto-Electronic Advances》 SCIE EI CAS CSCD 2024年第1期28-35,共8页
Secret sharing is a promising technology for information encryption by splitting the secret information into different shares.However,the traditional scheme suffers from information leakage in decryption process since... Secret sharing is a promising technology for information encryption by splitting the secret information into different shares.However,the traditional scheme suffers from information leakage in decryption process since the amount of available information channels is limited.Herein,we propose and demonstrate an optical secret sharing framework based on the multi-dimensional multiplexing liquid crystal(LC)holograms.The LC holograms are used as spatially separated shares to carry secret images.The polarization of the incident light and the distance between different shares are served as secret keys,which can significantly improve the information security and capacity.Besides,the decryption condition is also restricted by the applied external voltage due to the variant diffraction efficiency,which further increases the information security.In implementation,an artificial neural network(ANN)model is developed to carefully design the phase distribution of each LC hologram.With the advantage of high security,high capacity and simple configuration,our optical secret sharing framework has great potentials in optical encryption and dynamic holographic display. 展开更多
关键词 holographic encryption optical secret sharing cascaded liquid crystal hologram multi-dimensional multiplexing
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Accelerated generation of holograms with ultra-low memory symmetrically high-compressed look-up table
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作者 杨燕 朱建英 +1 位作者 孙敏远 毕勇 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期466-471,共6页
Computer-generated holography technology has been widely applied,and as research in this field deepens,the demand for memory and computational power in small AR and VR devices continues to increase.This paper presents... Computer-generated holography technology has been widely applied,and as research in this field deepens,the demand for memory and computational power in small AR and VR devices continues to increase.This paper presents a hologram generation method,i.e.,a symmetrically high-compressed look-up table method,which can reduce memory usage by50%.In offline computing,half of the basic horizontal and vertical modulation factors are stored,halving the memory requirements without affecting inline speed.Currently,its potential extends to various holographic applications,including the production of optical diffraction elements. 展开更多
关键词 computergenerated hologram look-up table HOLOGRAPHY
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Discrete multi-step phase hologram for high frequency acoustic modulation
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作者 周梦晴 李照希 +6 位作者 李怡 王业成 张娟 谌东东 全熠 杨银堂 费春龙 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期488-495,共8页
Acoustic holograms can recover wavefront stored acoustic field information and produce high-fidelity complex acoustic fields. Benefiting from the huge spatial information that traditional acoustic elements cannot matc... Acoustic holograms can recover wavefront stored acoustic field information and produce high-fidelity complex acoustic fields. Benefiting from the huge spatial information that traditional acoustic elements cannot match, acoustic holograms pursue the realization of high-resolution complex acoustic fields and gradually tend to high-frequency ultrasound applications. However, conventional continuous phase holograms are limited by three-dimensional(3D) printing size, and the presence of unavoidable small printing errors makes it difficult to achieve acoustic field reconstruction at high frequency accuracy. Here, we present an optimized discrete multi-step phase hologram. It can ensure the reconstruction quality of image with high robustness, and properly lower the requirement for the 3D printing accuracy. Meanwhile, the concept of reconstruction similarity is proposed to refine a measure of acoustic field quality. In addition, the realized complex acoustic field at 20 MHz promotes the application of acoustic holograms at high frequencies and provides a new way to generate high-fidelity acoustic fields. 展开更多
关键词 discrete multi-step phase hologram econstruction quality 3D printing accuracy high-fidelity
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Complete-basis-reprogrammable coding metasurface for generating dynamicallycontrolled holograms under arbitrary polarization states
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作者 Zuntian Chu Xinqi Cai +7 位作者 Ruichao Zhu Tonghao Liu Huiting Sun Tiefu Li Yuxiang Jia Yajuan Han Shaobo Qu Jiafu Wang 《Opto-Electronic Advances》 SCIE EI CAS CSCD 2024年第9期65-80,共16页
Reprogrammable metasurfaces,which establish a fascinating bridge between physical and information domains,can dynamically control electromagnetic(EM)waves in real time and thus have attracted great attentions from res... Reprogrammable metasurfaces,which establish a fascinating bridge between physical and information domains,can dynamically control electromagnetic(EM)waves in real time and thus have attracted great attentions from researchers around the world.To control EM waves with an arbitrary polarization state,it is desirable that a complete set of basis states be controlled independently since incident EM waves with an arbitrary polarization state can be decomposed as a linear sum of these basis states.In this work,we present the concept of complete-basis-reprogrammable coding metasurface(CBR-CM)in reflective manners,which can achieve independently dynamic controls over the reflection phases while maintaining the same amplitude for left-handed circularly polarized(LCP)waves and right-handed circularly polarized(RCP)waves.Since LCP and RCP waves together constitute a complete basis set of planar EM waves,dynamicallycontrolled holograms can be generated under arbitrarily polarized wave incidence.The dynamically reconfigurable metaparticle is implemented to demonstrate the CBR-CM’s robust capability of controlling the longitudinal and transverse positions of holograms under LCP and RCP waves independently.It’s expected that the proposed CBR-CM opens up ways of realizing more sophisticated and advanced devices with multiple independent information channels,which may provide technical assistance for digital EM environment reproduction. 展开更多
关键词 basis vector control reprogrammable metasurface dynamically-controlled holograms arbitrary polarization state broadband
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Rapid hologram generation through backward ray tracing and adaptive-resolution wavefront recording plane
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作者 Jianying Zhu Yong Bi +1 位作者 Minyuan Sun Weinan Gao 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第11期291-295,共5页
An advanced method for rapidly computing holograms of large three-dimensional(3D)objects combines backward ray tracing with adaptive resolution wavefront recording plane(WRP)and adaptive angular spectrum propagation.I... An advanced method for rapidly computing holograms of large three-dimensional(3D)objects combines backward ray tracing with adaptive resolution wavefront recording plane(WRP)and adaptive angular spectrum propagation.In the initial phase,a WRP with adjustable resolution and sampling interval based on the object’s size is defined to capture detailed information from large 3D objects.The second phase employs an adaptive angular spectrum method(ASM)to efficiently compute the propagation from the large-sized WRP to the small-sized computer-generated hologram(CGH).The computation process is accelerated using CUDA and OptiX.Optical experiments confirm that the algorithm can generate high-quality holograms with shadow and occlusion effects at a resolution of 1024×1024 in 29 ms. 展开更多
关键词 computer-generated hologram(CGH) wavefront recording plane(WRP) backward ray tracing
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Vibration parameter measurement using the temporal digital hologram sequence and windowed Fourier transform 被引量:2
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作者 Chong Yang,1,2 and Hong Miao 1,1) Key Laboratory of Mechanical Behavior and Design of Materials (CAS) Department of Modern Mechanics,University of Science and Technology of China,Anhui 230027,China 2) Institute of Structural Mechanics Chinese Academy of Engineering Physics,Sichuan 621900,China 《Theoretical & Applied Mechanics Letters》 CAS 2011年第5期36-40,共5页
Real time digital recording and numerical reconstruction of a temporal digital hologram sequence have become feasible in recent years.They provide a new measurement method which enjoys the valuable advantages of being... Real time digital recording and numerical reconstruction of a temporal digital hologram sequence have become feasible in recent years.They provide a new measurement method which enjoys the valuable advantages of being full-field,noncontact and high precision.In this paper,a combined method of temporal digital hologram sequence and windowed Fourier transform is proposed to measure the kinematic parameters of random vibration.A series of holograms are recorded by CCD camera and the original phase can be reconstructed by Fresnel reconstruction algorithm.The three-dimensional windowed Fourier transform is used to filter noise in phase and extract the instantaneous kinematic parameters of the specimen,such as the displacement,velocity and acceleration.An experiment is conducted on a chloroprene rubber latex membrane.Results demonstrate that the proposed method determines the vibration parameters precisely and enjoys many merits. 展开更多
关键词 vibration measurement digital holography temporal digital hologram sequence windowed Fourier transform
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Circular Polarization Hologram Realized by Pancharatnam-Berry Phase in Microwave Frequency 被引量:1
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作者 Tao Yan Qian Ma Tiejun Cui 《Journal of Computer and Communications》 2020年第12期134-141,共8页
<div style="text-align:justify;"> Metasurfaces have shown great potential in controlling the propagation of electromagnetic waves, making them suitable for holographic beam-shaping elements. Using the ... <div style="text-align:justify;"> Metasurfaces have shown great potential in controlling the propagation of electromagnetic waves, making them suitable for holographic beam-shaping elements. Using the principle of array synthesis, holograms have been realized in microwave frequency to manipulate electromagnetic waves to generate specific field patterns. However, current research is almost based on linear polarization and has little analysis on the circular polarization microwave hologram. Herein, we propose a circular polarization hologram realized by sub-wavelength units with self-adaptively phase profiles of electromagnetic waves. The full, continuous control of the phase is achieved by using a single structure unit based on the Pancharatnam-Berry phase. The inhomogeneity of wave-front is considered through amplitude and phase compensation which are essential to improve the quality of microwave hologram. The model achieves circular polarization hologram in microwave frequency and the clear field pattern is generated. The circular polarization hologram enriched the research field of microwave imaging, thus providing more inspirations for the development of various related techniques. </div> 展开更多
关键词 Metasurfaces Circular Polarization hologram Pancharatnam-Berry Phase Mi-crowave hologram
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Phase-only stereoscopic hologram calculation based on Gerchberg–Saxton iterative algorithm 被引量:1
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作者 夏心怡 夏军 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第9期69-73,共5页
A phase-only computer-generated holography(CGH) calculation method for stereoscopic holography is proposed in this paper.The two-dimensional(2D) perspective projection views of the three-dimensional(3D) object a... A phase-only computer-generated holography(CGH) calculation method for stereoscopic holography is proposed in this paper.The two-dimensional(2D) perspective projection views of the three-dimensional(3D) object are generated by the computer graphics rendering techniques.Based on these views,a phase-only hologram is calculated by using the Gerchberg–Saxton(GS) iterative algorithm.Comparing with the non-iterative algorithm in the conventional stereoscopic holography,the proposed method improves the holographic image quality,especially for the phase-only hologram encoded from the complex distribution.Both simulation and optical experiment results demonstrate that our proposed method can give higher quality reconstruction comparing with the traditional method. 展开更多
关键词 phase retrieval computer-generated holograms holography
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Grid-based computer-generated holograms synthesizing for holographic three-dimensional display
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作者 陈国华 张爱军 《Journal of Beijing Institute of Technology》 EI CAS 2011年第3期415-420,共6页
To reduce the computing time of composite computer-generated holograms (CGHs) gen- eration based upon the angular projection algorithm for holographic three-dimensional (3D) display, a grid-based holographic displ... To reduce the computing time of composite computer-generated holograms (CGHs) gen- eration based upon the angular projection algorithm for holographic three-dimensional (3D) display, a grid-based holographic display ( GHD ) scheme was designed. The grid computing technology was applied to numerically process the different angular projections of an object in distributed-parallel manner to create the corresponding CGHs. The whole treatment of a projection was regarded as a job executed on the grid node machine. The number of jobs which were submitted to grid nodes, therefore, was equal to that of the projections of the object. A Condor-based grid testbed was constructed to verify the feasibility of the GHD scheme, and a graphical user interface (GUI) program and several service modules were developed for it. A 3D terrain model as an example was processed on the testbed. The result showed that the scheme was feasible and able to improve the execution elficiency greatly. 展开更多
关键词 computer-generated hologram (CGH) GRID three-dimensional (3D) display
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Fourier hologram method using Gerchberg-Saxton algorithm for parallel femtosecond laser processing
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作者 汪金礼 苏亚辉 +2 位作者 崔洪涛 杨亮 方志伟 《Journal of Measurement Science and Instrumentation》 CAS 2012年第3期304-306,共3页
In order to improve femtosecond laser throughput,a parallel processing system consisting of liquid crystal on silicon(LCOS)device as spatial light modulator is put forward.A method is described for displaying Fourier ... In order to improve femtosecond laser throughput,a parallel processing system consisting of liquid crystal on silicon(LCOS)device as spatial light modulator is put forward.A method is described for displaying Fourier hologram on LCOS,and a high uniformity of several diffraction peaks in the computer reconstruction is achieved.Application of this method to the parallel femtosecond laser processing is also demonstrated,and two intersecting rings and three tangent rings are fabricated respectively by one time in the photoresist. 展开更多
关键词 femtosecond laser parallel processing liquid crystal on silicon(LCOS) Fourier hologram Gerchberg-Saxton(GS)algorithm
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Multimodal Imaging with 3D-Holograms for Preoperative Planning in Pediatric Cardiac Surgery:A Unique Case Report
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作者 Federica Caldaroni Massimo Chessa +1 位作者 Alessandro Varrica Alessandro Giamberti 《Congenital Heart Disease》 SCIE 2022年第4期491-494,共4页
Multimodal imaging,including augmented or mixed reality,transforms the physicians’interaction with clinical imaging,allowing more accurate data interpretation,better spatial resolution,and depth perception of the pat... Multimodal imaging,including augmented or mixed reality,transforms the physicians’interaction with clinical imaging,allowing more accurate data interpretation,better spatial resolution,and depth perception of the patient’s anatomy.We successfully overlay 3D holographic visualization to magnetic resonance imaging images for preoperative decision making of a complex case of cardiac tumour in a 7-year-old girl. 展开更多
关键词 hologram augmented reality multimodal imaging 3D CHD cardiac tumour ARRHYTHMIA ANATOMY
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Implementation of natural hand gestures in holograms for 3D object manipulation
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作者 Ajune Wanis ISMAIL Muhammad Akma IMAN 《Virtual Reality & Intelligent Hardware》 EI 2023年第5期439-450,共12页
Holograms provide a characteristic manner to display and convey information, and have been improved to provide better user interactions Holographic interactions are important as they improve user interactions with vir... Holograms provide a characteristic manner to display and convey information, and have been improved to provide better user interactions Holographic interactions are important as they improve user interactions with virtual objects. Gesture interaction is a recent research topic, as it allows users to use their bare hands to directly interact with the hologram. However, it remains unclear whether real hand gestures are well suited for hologram applications. Therefore, we discuss the development process and implementation of three-dimensional object manipulation using natural hand gestures in a hologram. We describe the design and development process for hologram applications and its integration with real hand gesture interactions as initial findings. Experimental results from Nasa TLX form are discussed. Based on the findings, we actualize the user interactions in the hologram. 展开更多
关键词 hologram Gesture interaction Natural hand gesture Three-dimensional object manipulation Gesture recognition
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Holograms in Albumins and Optical Properties Recorded in Real Time
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作者 Arturo Olivares-Pérez Manuel Jorge Ordónez-Padilla Santa Toxqui-López 《Optics and Photonics Journal》 2015年第5期177-192,共16页
Holographic recording analysis was performed on the films that were sensitized with ammonium dichromate with albumin of hen and quail (Gallus gallus and Callipepla cali) as abiopolymeric photosensitive matrix. The sam... Holographic recording analysis was performed on the films that were sensitized with ammonium dichromate with albumin of hen and quail (Gallus gallus and Callipepla cali) as abiopolymeric photosensitive matrix. The samples were exposed to an He-Cd laser, λ = 442 nm, at various concentrations, and diffraction efficiencies were measured as a function to the energy, thickness, protein density, aging time, and spatial frequencies. The photosensitivity was measured as a function of storage time, and the gratings were recorded in real time. The photochemical processes involved in the formation of holographic image are described. The results indicate the behavior of colloidal systems based on albumin bird build holographic recording materials. 展开更多
关键词 BIOPOLYMER PROTEINS hologramS ALBUMINS Diffraction Gratings Diffraction Devices
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计算全息检测技术的精度溯源研究现状分析(内封面文章)
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作者 李佳 程强 +5 位作者 王孝坤 胡海翔 李龙响 李洪士 薛栋林 张学军 《红外与激光工程》 EI CSCD 北大核心 2024年第8期140-154,共15页
随着光学系统性能的要求越来越高,非球面、自由曲面等复杂光学曲面能够提升系统的成像性能,因此提升复杂光学曲面的检测精度极为重要。干涉检测是测量复杂光学曲面的重要手段,其中计算全息检测法(Computer Generated Hologram,CGH)作为... 随着光学系统性能的要求越来越高,非球面、自由曲面等复杂光学曲面能够提升系统的成像性能,因此提升复杂光学曲面的检测精度极为重要。干涉检测是测量复杂光学曲面的重要手段,其中计算全息检测法(Computer Generated Hologram,CGH)作为干涉检测中的一种,因其精度高和设计自由度大等优点得到了广泛的应用。但是在CGH检测复杂曲面的过程中存在的各类误差会影响波前检测的精度。文中首先介绍了计算全息法的检测精度现状,其次归纳总结了造成计算全息法误差的主要因素。分别介绍了不同误差的产生原理、影响效果、相对应标定补偿方法及适用情景和优缺点;并介绍了基于CGH占空比与线条位置误差的调研现状分析以及现有的研究方法;最后对计算全息法检测的精度溯源和精度提升研究趋势进行了展望。 展开更多
关键词 计算全息图 复杂曲面检测 计算全息图精度溯源 误差分析
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Full Complex Amplitude Digital Holograms: Design, Fabrication and Optical Characterization
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作者 NetoLG CardonaPSP +1 位作者 CirinoGA MansanocRD 《光机电信息》 2004年第7期15-25,共11页
Diffractive optical elements have a large number of industrial applications, such as beam shaping and optical filtering. Traditionally, these elements modulate the phase of the incoming light or its amplitude, but not... Diffractive optical elements have a large number of industrial applications, such as beam shaping and optical filtering. Traditionally, these elements modulate the phase of the incoming light or its amplitude, but not both. To overcome this limitation, full complex-amplitude modulation diffractive optical elements were developed. Well-established integrated circuit fabrication steps were employed to fabricate the devices with high precision. Using this approach, the new element's optical performances are improved also for near field operations. With this device it is possible to obtain 100% efficient spatial filtering and low noise reconstructed images. 展开更多
关键词 全息图 激光技术 应用光学 调幅
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基于自由曲面光学元件的大视场光学成像系统
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作者 熊玉朋 陈适宇 +5 位作者 黄铖 路文文 彭小强 陈善勇 赖涛 欧洋 《光学精密工程》 EI CAS CSCD 北大核心 2024年第9期1261-1272,共12页
面向机载探测系统大视场光学成像的需求,开展了大视场光学成像系统光学设计、自由曲面光学元件超精密加工、形位误差同步检测以及系统集成与成像实验研究。首先,采用视场扩展法进行大视场自由曲面离轴反射光学系统的设计;其次,进行铝合... 面向机载探测系统大视场光学成像的需求,开展了大视场光学成像系统光学设计、自由曲面光学元件超精密加工、形位误差同步检测以及系统集成与成像实验研究。首先,采用视场扩展法进行大视场自由曲面离轴反射光学系统的设计;其次,进行铝合金自由曲面反射镜纳米精度加工和高频抑制工艺探索,并实现了基于计算全息元件的自由曲面形位高精度检测;最后,进行了光学系统的装调集成与成像实验。结果表明,系统的视场角为30°×5°,全视场光学传递函数值大于0.7,接近衍射极限,最大像元均方根半径为2.075μm,自由曲面光学元件的面形精度均方根(Root Mean Square,RMS)值优于20 nm,位置精度优于1μm,装配集成后能够满足大视场高分辨的场景使用要求,同时具备稳定可靠和快响制造等特点。 展开更多
关键词 光学超精密加工 自由曲面 计算全息补偿检测 成像系统
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基于混合相位的多平面全息显示
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作者 丁宇鑫 沈川 +4 位作者 王安临 潘俊俏 章权兵 张成 韦穗 《液晶与显示》 CAS CSCD 北大核心 2024年第7期909-918,共10页
在计算全息术中,基于层析法实现多平面全息显示是最常用的方法之一。针对层析法中多个平面之间存在串扰的问题,本文结合随机相位和二次相位的优点,提出了一种基于混合相位的多平面全息显示方法。首先,选择合适的权重因子生成混合相位代... 在计算全息术中,基于层析法实现多平面全息显示是最常用的方法之一。针对层析法中多个平面之间存在串扰的问题,本文结合随机相位和二次相位的优点,提出了一种基于混合相位的多平面全息显示方法。首先,选择合适的权重因子生成混合相位代替随机相位作为初始相位。利用迭代傅里叶变换算法进行迭代后,将获得的每个子全息图与具有不同重建距离的菲涅尔波带片叠加,接着将每个全息图以复振幅叠加,获取相位后得到纯相位全息图,从而将分层图像重构于指定的平面上。利用硅基液晶空间光调制器搭建多平面全息显示系统开展了相关的光学实验。实验结果表明,与基于随机相位的方法相比,本文方法提高了结构相似性参数(最高可达4.6%),减弱了多个全息重构平面之间的串扰,提高了多平面全息显示的再现质量。 展开更多
关键词 多平面显示 层析法 混合相位 纯相位全息图 菲涅尔波带片
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联合全息平面与物平面的全息图质量评价
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作者 鲁轶凡 蒋志迪 郁梅 《激光杂志》 CAS 北大核心 2024年第7期124-129,共6页
数字全息图可为用户提供更详细的3D信息;但其编码失真及特殊的性质为其质量评价带来了挑战。提出了一种联合全息平面与物平面的全参考全息图质量评价方法。首先,在全息平面上利用信息保真度准则度量了压缩全息图的退化程度。其次,在物... 数字全息图可为用户提供更详细的3D信息;但其编码失真及特殊的性质为其质量评价带来了挑战。提出了一种联合全息平面与物平面的全参考全息图质量评价方法。首先,在全息平面上利用信息保真度准则度量了压缩全息图的退化程度。其次,在物平面上对重建的多视口参考全息图和压缩全息图提取显著性加权的梯度相似度,再利用Grünwald-Letnikov分数阶导数度量全局特征变化;结合二者计算重建的多视口参考全息图和压缩全息图的相似度。最后,将全息平面的计算结果和物平面的相似度作为联合特征,利用随机森林对以上特征进行训练,建立质量评价模型。实验结果表明,所提出方法的PLCC约为0.9179,SROCC约为0.9075,优于相关代表性全息图质量评价方法,与人眼主观感受契合度更高。 展开更多
关键词 全息图 全息平面 物平面 全参考全息图质量评价
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使用多核CPU-GPU异构系统快速生成计算全息图
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作者 马先栋 桂进斌 +1 位作者 陈艾帅 刘俊彤 《激光技术》 CAS CSCD 北大核心 2024年第2期210-215,共6页
为了充分利用计算机的计算性能提高基于点源模型的计算全息图(CGH)的生成速度,设计了基于多核中央处理单元(CPU)和图形处理单元(GPU)的计算全息图快速生成系统,并对该系统进行了优化。首先采用统一架构平台设计并实现了基于点源模型的... 为了充分利用计算机的计算性能提高基于点源模型的计算全息图(CGH)的生成速度,设计了基于多核中央处理单元(CPU)和图形处理单元(GPU)的计算全息图快速生成系统,并对该系统进行了优化。首先采用统一架构平台设计并实现了基于点源模型的计算全息图生成系统,提出了计算的优化策略;然后根据优化的计算公式来减少计算量;最后对任务调试等进行优化,构建CPU的并行计算系统,其中一个核心负责启动函数和传输数据,其余核心承担一部分计算任务,进一步提高计算速度。结果表明,设计的系统能让CPU和GPU的性能均得到充分利用,在同等配置的计算硬件条件下,生成计算全息图的加速比较GPU系统计算全息图的加速比提高了4~4.75倍,可以有效提高计算全息图的生成速度。该研究对快速生成3维场景全息图是有帮助的。 展开更多
关键词 全息 计算全息 异构系统 点源模型
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植物精油成分气相色谱保留指数的全息定量构效关系
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作者 郭锐 焦龙 +3 位作者 胡祖彪 王清臣 钟汉斌 景明利 《色谱》 CAS CSCD 北大核心 2024年第4期380-386,共7页
气相色谱保留指数(RI)是色谱分析中的重要参数,但通过实验获取RI值的过程较为繁琐,需要建立一种简便、高效、准确的模型来预测RI值。本文搜集了60种植物精油成分的RI实验值,构建了精油成分化合物的结构性质与RI值之间的全息定量构效关系... 气相色谱保留指数(RI)是色谱分析中的重要参数,但通过实验获取RI值的过程较为繁琐,需要建立一种简便、高效、准确的模型来预测RI值。本文搜集了60种植物精油成分的RI实验值,构建了精油成分化合物的结构性质与RI值之间的全息定量构效关系(HQSAR)模型。当碎片大小(fragment size)、碎片特征(fragment distinction)和全息长度(hologram length)模型参数分别设置为“1~4”、“C,Ch”和199时,可以建立最优HQSAR模型。利用外部测试集验证和留一交叉验证对模型进行检验,经外部测试集验证的预测均方根误差(RMSEP)、预测决定系数(Q_(F3)^(2))、一致性相关系数(CCC)和平均相对误差(MRE)分别为40.45、0.984、0.968和2.20%;经留一交叉验证的交叉验证均方根误差(RMSECV)和MRE分别为72.56和4.17%。此外,HQSAR模型的分子贡献图表明,芳香族化合物的烷基链在连接了羟基基团后,其RI值会增大;脂肪族化合物中存在的长链烷基也会导致RI值增大。研究结果表明,所建立的HQSAR模型能够用于预测植物精油成分的RI值,并为其他精油成分RI值的预测提供可靠依据。 展开更多
关键词 全息定量构效关系 气相色谱保留指数 植物精油 分子贡献图
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