利用NMR谱仪及模拟机实现量子算法

报道了利用NMR谱仪和NMR模拟机实现量子算法.以天然苯为样品,我们分别用500 M谱仪和NMR模拟机实现了量子D-J算法,Grover搜寻算法及受控非门(C NOT).通过比较实验谱和模拟谱发现二者能很好符合.利用NMR模拟机实现量子算法比用NMR谱仪更为方便、清晰.     

清华物理系量子信息研究的新进展

在清华大学物理系成立60周年之际,我们对近年来清华大学物理系量子信息研究的主要进展情况作一介绍,包括量子搜索算法研究,核磁共振量子计算的实验研究,量子通讯的理论与实验研究.在量子搜索算法研究方面,我们提出了量子搜索算法的相位匹配,纠正了当时的一种错误观点,并且提出了一种成功率为100%的量子搜索算法,改进了Grover算法;在核磁共振量子计算实验方面,我们实现了2到7个量子比特的多种量子算法的实验演示;在量子通讯方面,我们提出了分布式传输的量子通讯的思想,应用于量子密钥分配、量子秘密共享、量子直接安全通讯等方面,构造了多个量子通讯的理论方案.在实验室,我们实现了2米距离的空间量子密码通讯的演示实验.     

液体多脉冲及二维FT-NMR实验的乘积算符描述的计算机模拟

本文报道了利用乘积算符方法分析多脉冲及二维FT-NMR实验的模拟程序PROPER-MT.该程序对分析弱耦合I_mS_n(I=1/2;S=(1)/2;1 ≤ m十n<4)自旋体系实验脉冲序列是普遍适用的;它可给出实验过程中体系任何时刻算符的解析表达式.用PROPER-MT程序对一些典型的多脉冲及二维FT-NMR实验进行了模拟,特别对多量子滤波及多自旋滤波脉冲序列进行了分析计算,得到了预期的结果.     

一种基于非基因信息的免疫记忆优化算法

为提高人工免疫优化算法的优化能力, 将非基因信息的记忆机制引入智能算法, 提出了一种基于非基因信息的免疫记忆优化算法. 算法通过对先验知识(非基因信息)的短期记忆并指导后续进化, 降低盲目搜索和重复搜索, 增加了搜索的智能性和有效性. 结合标准测试函数在高维下的仿真实验表明, 与其他智能算法相比, 新算法在收敛速度、收敛精度和全局收敛性方面均优于对比算法. 此外, 在超高维下的仿真结果表明新算法具有在大规模维度解空间中的全局寻优能力.     

A generalized approach to automated NMR peak list editing: application to reduced dimensionality triple resonance spectra

We present an algorithm and program called Pattern Picker that performs editing of raw peak lists derived from multidimensional NMR experiments with characteristic peak patterns. Pattern Picker detects groups of correlated peaks within peak lists from reduced dimensionality triple resonance (RD-TR) NMR spectra, with high fidelity and high yield. With typical quality RD-TR NMR data sets, Pattern Picker performs almost as well as human analysis, and is very robust in discriminating real peak sets from noise and other artifacts in unedited peak lists. The program uses a depth-first search algorithm with short-circuiting to efficiently explore a search tree representing every possible combination of peaks forming a group. The Pattern Picker program is particularly valuable for creating an automated peak picking/editing process. The Pattern Picker algorithm can be applied to a broad range of experiments with distinct peak patterns including RD, G-matrix Fourier transformation (GFT) NMR spectra, and experiments to measure scalar and residual dipolar coupling, thus promoting the use of experiments that are typically harder for a human to analyze. Since the complexity of peak patterns becomes a benefit rather than a drawback, Pattern Picker opens new opportunities in NMR experiment design.     

Effects of initial states on the quantum correlations in the generalized Grover search algorithm

We investigate the correlations between two qubits in the Grover search algorithm with arbitrary initial states by numerical simulation. Using a set of suitable bases, we construct the reduced density matrix and give the numerical expression of correlations relating to the iterations. For different initial states, we obtain the concurrence and quantum discord compared with the success probability in the algorithm. The results show that the initial states affect the correlations and the limit point of the correlations in the searching process. However, the initial states do not influence the whole cyclical trend.     

Implementation of conditional phase-shift gate for quantum information processing by NMR,using transition-selective pulses

Experimental realization of quantum information processing in the field of nuclear magnetic resonance (NMR) has been well established. Implementation of conditional phase-shift gate has been a significant step, which has lead to realization of important algorithms such as Grover's search algorithm and quantum Fourier transform. This gate has so far been implemented in NMR by using coupling evolution method. We demonstrate here the implementation of the conditional phase-shift gate using transition selective pulses. As an application of the gate, we demonstrate Grover's search algorithm and quantum Fourier transform by simulations and experiments using transition selective pulses.     

Broadband underwater multi-source localization with a computationally efficient coherent OMP algorithm

In this paper, we propose a broadband coherent matched-field processing (MFP) algorithm to solve multi-source localization problems in shallow water scenarios. The proposed algorithm combines the matched-phase coherent processor with the sparse recovery technique from compressive sensing (CS) theory. A greedy sparse recovery algorithm is adopted to iteratively locate multiple sources using a matched-phase coherent processor. At each iteration of the greedy algorithm, the data is processed coherently using the phase descent search (PDS) algorithm, rather than the incoherent methods used in many sparse recovery algorithms, such as the classical orthogonal matching pursuit (OMP) algorithm. The phase shifts between different frequencies are estimated and compensated, such that the performance can be greatly enhanced. The proposed algorithm is applied to simulated data, synthesized data, and data collected in the SWellEx-96 shallow water experiment. The result provides sparse localization information that matches the ground truth source locations in the simulation and the source trajectory calculated from the Global Positioning System (GPS) information from the experiment.     

Porous media characterization by PFG and IMFG NMR

Fully and partially filled with tridecane quartz sand was studied by different NMR techniques. The set of NMR experiments was carried out to obtain information about porous media geometry and fluid localization in it in case of partially filled porous space. The study was done using three NMR approaches: pulse field gradient NMR (PFG NMR), DDif experiment and tau-scanning experiment. The possibility to use all three approaches to study porous media properties even at the high resonance frequency is shown together with complementarity of the given by them information. Thus, first two approaches give information about porous sizes and geometry, at the same time tau-scanning experiment allows us to obtain information about distribution of internal magnetic field gradients in the porous space and draw conclusions about fluid localization in it.     

Mathematical simulation of liquid film flows with “dry” spots

Mathematical simulation of isothermal film flow for a viscous ponderous capillary liquid with dry spots on a solid substrate was performed. The algorithm was developed for calculation of the shape of a ridge (around the dry spot): this algorithm takes into account gravity forces, surface tension, friction, and inertia effects. Simulation results performed by original method were compared with experiment and previous method that takes into account only gravity and capillary forces. It was demonstrated that both methods produce similar results at low Reynolds numbers. However, at Reynolds higher than one these two methods give different results.     

内燃机气缸内三维气体流场的数值模拟

从计算机模拟角度研究发动机缸内气体流动的全貌以探求合理组织气流的途径是当前国内外研究的重要项目，本文提出一个基于有限体积方法的方法，并应用于发动机缸内气流的数值模拟，最后与热线风速仪测量值进行了比较，给出了结果及分析。     

基于相位匹配的量子行走搜索算法及电路实现

量子行走是经典随机行走在量子力学框架下的对应, 理论上可以用来解决一类无序数据库的搜索问题. 因为携带信息的量子态的扩散速度与经典相比有二次方式的增长, 所以量子行走优于经典随机行走, 量子行走的特性值得加以利用. 量子行走作为一种新发现的物理现象的数学描述, 引发了一种新的思维方式, 孕育了一种新的理论计算模型. 最新研究表明, 量子行走本身也是一种通用计算模型, 可被视为设计量子算法的高级工具, 因此受到部分计算机理论科学领域学者的关注和研究. 对于多数问题求解方案的量子算法的设计, 理论上可以只在量子行走模型下进行考虑. 基于Grover算法的相位匹配条件, 本文提出了一个新的基于量子行走的搜索算法. 理论演算表明: 一般情况下本算法的时间复杂度与Grover算法相同, 但是当搜索的目标数目多于总数的1/3时, 本算法搜索成功的概率要大于Grover算法. 本文不但利用Grover算法中相位匹配条件构造了一个新的量子行走搜索算法, 而且在本研究室原有的量子电路设计研究成果的基础上给出了该算法的量子电路表述.     

核磁共振实验的计算机辅助教学

基于核磁共振的经典理论——Bloch方程,运用Matlab程序对核磁共振实验的各个环节(观察核磁共振信号、自由衰减信号、自旋回波信号等)进行了可视化模拟,帮助学生认识和理解核磁共振,辅助实验教学.     

低温NMR探头的应用

在过去10年中研发新核磁共振探头一直是制造者争夺的活跃领域. 最近，因其灵敏度的巨大提高，低温冷却探头得到人们格外的关注. 利用这一技术可大量节省谱仪机时. 对于低γ核可直接测定天然丰度样品而不必标记，这远比节省机时更为重要. 本文评述了针对5～10 Hz优化2 mg天然丰度噁唑烷酮抗菌素eperezolid的 CIGAR-HMBC-¹H-¹⁵N谱的比较，一个是采自美国瓦里安公司的5 mm低温探头，另一个是采自瓦里安公司传统室温3 mm 梯度三共振探头. 利用低温探头大约10 min就可记录到大部份¹H-¹⁵N远 程相关，26 min可观察到几乎所有的远程共振. 而在同样条件下使用3 mm传统梯度反式三共振探头无法得到有用的谱图，要想取得相同的结果须累加约18 h.     

Experimental quantum deletion in an NMR quantum information processor

We report an NMR experimental realization of a rapid quantum deletion algorithm that deletes marked states in an unsorted database.Unlike classical deletion,where search and deletion are equivalent,quantum deletion can be implemented with only a single query,which achieves exponential speed-up compared to the optimal classical analog.In the experimental realization,the GRAPE algorithm was used to obtain an optimized NMR pulse sequence,and the efficient method of maximum-likelihood has been used to reconstruct the experimental output state.     

Phase-only stereoscopic hologram calculation based on Gerchberg–Saxton iterative algorithm

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.     

基于改进蚁群算法的无线传感器网络路由的优化

为了延长无线传感器网络(Wireless Sensor Network ,WSN)的生命周期,均衡各个节点间能量消耗,针对现有的WSN路由优化算法存在的问题,提出了一种基于改进蚁群算法的路由优化算法。首先通过对蚁群算法和遗传算法的优劣性比较,在蚁群算法的基础上,结合遗传算法的选择、交叉和变异的操作,从而提高蚁群算法的搜索速度和寻优能力。最优路径评价函数综合考虑节点能耗及节点的剩余能量,使剩余能量多的节点优先参与数据转发,均衡节点间的能量消耗。通过与经典蚁群算法及遗传算法的对比实验表明,随着数据转发轮数增加,改进的蚁群算法能耗小,剩余能量多,网络生命周期明显延长;随着整个网络运行时间的增长,改进的蚁群算法,节点均衡能耗性好,最优路径搜索的成功率也明显优于其他两种算法。     

Experimental implementation of a fixed-point duality quantum search algorithm in the nuclear magnetic resonance quantum system

In this work, we demonstrated a fixed-point quantum search algorithm in the nuclear magnetic resonance (NMR) system. We constructed the pulse sequences for the pivotal operations in the quantum search protocol. The experimental results agree well with the theoretical predictions. The generalization of the scheme to the arbitrary number of qubits has also been given.     

表征超声衰减谱粒度的改进和声搜索算法*

针对超声衰减谱法颗粒粒径测量,提出一种改进和声搜索算法,在和声搜索算法迭代达到200次时,加入拟牛顿算法,调节和声搜索算法全局和局部搜索能力,提高算法的收敛精度。对服从三种典型粒径分布函数颗粒系进行数值模拟,改进算法反演得出R-R(Rosin-Rammler)分布参数值相对误差小于8%、正态分布参数值相对误差小于5%,对数正态分布参数值相对误差小于10%,同时用改进算法对两种硅-水悬浮液样品的实验超声衰减谱反演,与标称尺寸对比粒径相对误差为6.0%和8.2%,表明了利用改进算法表征颗粒粒径的可行性。     

过渡金属化合物的核磁共振

过渡金属元素最外层电子分布在d或f轨函而形成多种多样的化合物结构,每个过渡金属原子都有一、二种具有核自旋的同位素,使其化合物显示丰富的核磁共振信息,通过这些磁化学及其它谱化学的信息,使科学家对分子内的协同效应的现象和原因有全面的认识,从而对催化剂和金属酶的活性机理有更深入的理解,最终可能引致理论和计算化学的革命,并为分子设计和定向合成创造条件。