Fast parallel algorithm for three-dimensional distance-driven model in iterative computed tomography reconstruction

The projection matrix model is used to describe the physical relationship between reconstructed object and projection.Such a model has a strong influence on projection and backprojection,two vital operations in iterative computed tomographic reconstruction.The distance-driven model(DDM) is a state-of-the-art technology that simulates forward and back projections.This model has a low computational complexity and a relatively high spatial resolution;however,it includes only a few methods in a parallel operation with a matched model scheme.This study introduces a fast and parallelizable algorithm to improve the traditional DDM for computing the parallel projection and backprojection operations.Our proposed model has been implemented on a GPU(graphic processing unit) platform and has achieved satisfactory computational efficiency with no approximation.The runtime for the projection and backprojection operations with our model is approximately 4.5 s and 10.5 s per loop,respectively,with an image size of 256×256×256 and 360 projections with a size of 512×512.We compare several general algorithms that have been proposed for maximizing GPU efficiency by using the unmatched projection/backprojection models in a parallel computation.The imaging resolution is not sacrificed and remains accurate during computed tomographic reconstruction.     

非精确交替方向总变分最小化重建算法

CT (computed tomography)系统实际应用当中, 经常会出现扫描数据不满足数据完备性条件的情况. 针对不完全角度重建问题的研究, 是目前迭代型算法研究中的一个热点. 一系列基于带有约束的总变分最小化的重建算法近年来在不完全角度重建中取得了较好的效果, 这其中基于交替方向法 (alternating direction method, ADM) 的重建算法表现出更好的性能. 然而, ADM方法在求解过程中对矩阵求逆的处理效率不高, 导致极大的计算开销. 本文针对该问题, 使用非精确ADM方法, 利用线性近似的方式替换掉计算开销较大的项, 使得矩阵求逆问题可以通过快速傅里叶变换加速实现. 实验结果表明, 本文提出的非精确交替方向总变分最小化重建算法与精确ADM重建算法相比, 没有明显的精度损失, 计算时间缩减30%左右. 关键词： 不完全角度重建 总变分最小化 非精确交替方向法     

Randomized preprocessing versus pivoting

It is known that without pivoting Gaussian elimination can run significantly faster (particularly for matrices that have structures of Toeplitz or Hankel types), but becomes numerically unsafe. The known remedies take their toll, e.g., symmetrization squares the condition number of the input matrix. Can we fix the problem without such a punishment? Taking this challenge we combine randomized preconditioning techniques with iterative refinement and prove that this combination is expected to make pivoting-free Gaussian elimination numerically safe while keeping it fast. For matrices having structures of Toeplitz or Hankel types transition to Gaussian elimination with no pivoting decreases arithmetic time bound from cubic to nearly linear, and our tests show dramatic decrease of the CPU time as well.     

A simulation study of microstructure evolution during solidification process of liquid metal Ni

A molecular dynamics simulation study has been performed for the microstructure evolution in a liquid metal Ni system during crystallization process at two cooling rates by adopting the embedded atom method (EAM) model potential. The bond-type index method of Honeycutt--Andersen (HA) and a new cluster-type index method (CTIM-2) have been used to detect and analyse the microstructures in this system. It is demonstrated that the cooling rate plays a critical role in the microstructure evolution: below the crystallization temperature $T_{\rm c}$, the effects of cooling rate are very remarkable and can be fully displayed. At different cooling rates of $2.0\times10^{13}$\,K\,$\cdot$\,s$^{-1}$ and $1.0\times10^{12}$\,K\,$\cdot$\,s$^{-1}$, two different kinds of crystal structures are obtained in the system. The first one is the coexistence of the hcp (expressed by (12 0 0 0 6 6) in CTIM-2) and the fcc (12 0 0 0 12 0) basic clusters consisting of 1421 and 1422 bond-types, and the hcp basic cluster becomes the dominant one with decreasing temperature, the second one is mainly the fcc (12 0 0 0 12 0) basic clusters consisting of 1421 bond-type, and their crystallization temperatures $T_{\rm c}$ would be 1073 and 1173\,K, respectively.     

Cyclization reactions of 2-(2-chloro-4-nitrophenylsulfonyl)-1-(2-thienyl)ethanone

A new sulfonyl group-containing heterocyclic compound 2-(2-chloro-4-nitrophenylsulfonyl)-1-(2-thienyl)ethanone 2 was prepared from the corresponding sulfide 2-(2-chloro-4-nitrophenylthio)-1-(2-thienyl)ethanone 1 . Two different cyclization reactions of the compound 2 were discussed. In contrast to the tandem alkylation-cyclization process [1], another cyclic procedure was described. In the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene as a base and dimethylformamide as a solvent, compound 2 was treated with ethyl acrylate or methyl methacrylate at 50–55° to give the 1,4-benzoxathiin 4,4-dioxide 5 or 6 respectively via a tandem Michael conjugate addition-cyclization process.     

合成2-芳基-3-烷基-7-硝基-1,4-氧硫杂萘-4,4-二氧化物的新方法

在K₂CO₃－TEBA－DNIF体系中,2－(2-氧-4-硝基苯磺酰基)－1-芳基乙酮与各种烷基化试剂发生烷基化-环化反应,得到一系列3-位取代的1,4-氧硫杂萘4,4-二氧化物,并讨论了反应机理和反应条件.     

基于稀疏优化的计算机断层成像图像不完全角度重建综述

计算机断层成像(computed tomography,CT)技术在医学和工业无损检测中都具有非常广泛的应用,CT重建算法是其中的核心,而不完全角度重建问题则是实际应用中重建算法研究领域的一个热点和难点问题.近年来,随着稀疏优化理论与算法的飞速发展,基于稀疏优化的重建算法已经在不完全角度重建问题中得到了较广泛的应用,且表现出了良好的精度与速度性能.本文首先对稀疏优化的基本理论结论与常用算法进行了介绍;而后对稀疏优化理论在CT图像不完全角度重建中的应用进行归纳,分类介绍了其主要研究成果及稀疏优化所发挥的作用;最后对基于稀疏优化的不完全角度重建研究进行了展望.     

Synthesis and antiproliferative activity of novel 4-substituted-phenoxy-benzamide derivatives

A series of novel 4-substituted-phenoxy-benzamide derivatives bearing an aryl cycloaliphatic amine moiety were synthesized and evaluated for antiproliferative activity against SW620, HT29 and MGC803 cancer cell lines in vitro. The pharmacological data demonstrated that the majority of target compounds exhibitedmoderate efficacy in HT29 and MGC803 cell lines. Compound 10c showed promising inhibition of hedgehog (Hh) signaling pathway in an Hh-related assay. In addition, the superposition pattern of 10c showed a good fit for a pharmacophoric model generated by Hh inhibitors and provided a basis for further structural optimization.     

冷速对液态金属Ga凝固过程中微观结构演变影响的模拟研究

采用分子动力学方法对液态金属Ga凝固过程中不同冷却速率对微观结构演变的影响进行了模拟跟踪研究. 运用HA键型指数法和原子成团类型指数法(CTIM)分析了金属原子Ga的成键类型和形成的基本原子团结构. 结果发现，冷却速率对凝固过程中的微观结构起着非常重要的作用. 在以1.0×10¹⁴，1.0×10¹³，1.0×10¹²K/s的速率冷却时，系统形成以与1311，1301键型相关的菱面体结构为主，夹杂着立方体、六角密集等其他团簇结构所构成的非晶态结构；在以1.0×10¹¹K/s的速率冷却时，系统明显发生结晶，其结晶转变温度T_c约为198K，且冷却速率越慢，结晶转变温度T_c越高，形成以与1421键型相关的斜方晶体(经可视化分析确认)为主要构型的晶态结构. 这将为研究液态金属的结晶转变过程提供一种新方法. 关键词： 液态金属Ga 凝固过程 微结构转变 分子动力学模拟     

Synthesis of 3-Aryl-1,3,5-pentanetricarboxylic acid trialkylesters <Emphasis Type="Italic">via</Emphasis> a Tandem Addition-Rearrangement-Addition Reaction

Summary.  In the presence of anhydrous potassium carbonate as base, triethylbenzylammonium chloride as phase transfer catalyst, and dimethylformamide as solvent, 4-nitrophenylsulfonylacetate was treated with alkyl acrylate at 70°C to afford the unexpected 3-aryl-1,3,5-pentanetricarboxylic acid trialkylesters via a tandem addition-rearrangement-addition reaction. A possible mechanism was suggested. Corresponding author. E-mail: scao@263.net Received September 2, 2002; accepted September 13, 2002