Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

基于多通道的ICU脑血管疾病死亡风险预测模型

死亡风险预测指根据病人临床体征监测数据来预测未来一段时间的死亡风险。对于ICU病患，通过死亡风险预测可以有针对性地对病人做出临床诊断，以及合理安排有限的医疗资源。基于临床使用的MEWS和Glasgow昏迷评分量表，针对ICU病人临床监测的17项生理参数，提出一种基于多通道的ICU脑血管疾病死亡风险预测模型。引入多通道概念应用于BiLSTM模型，用于突出每个生理参数对死亡风险预测的作用。采用Attention机制用于提高模型预测精度。实验数据来自MIMIC [Ⅲ]数据库，从中提取3?080位脑血管疾病患者的16?260条记录用于此次研究，除了六组超参数实验之外，将所提模型与LSTM、Multichannel-BiLSTM、逻辑回归（logistic regression）和支持向量机（support vector machine, SVM）四种模型进行了对比分析，准确率Accuracy、灵敏度Sensitive、特异性Specificity、AUC-ROC和AUC-PRC作为评价指标，实验结果表明，所提模型性能优于其他模型，AUC值达到94.3%。     

多先验融合的图像显著性目标检测算法

为了更加准确地检测出图像中的显著性目标，提出了多先验融合的显著性目标检测算法。针对传统中心先验对偏离图像中心的显著性目标会出现检测失效的情况，提出在多颜色空间下求显著性目标的最小凸包交集来确定目标的大致位置，以凸包区域中心计算中心先验。同时通过融合策略将凸包区域中心先验、颜色对比先验和背景先验融合并集成到特征矩阵中。最后通过低秩矩阵恢复模型生成结果显著图。在公开数据集MSRA1000和ESSCD上的仿真实验结果表明，MPLRR能够得到清晰高亮的显著性目标视觉效果图，同时F，AUC，MAE等评价指标也比现有的许多方法有明显提升。     

（S）-噻吗洛尔半水合物的合成及表征

为了开发β受体阻断剂新药（S）-噻吗洛尔半水合物，采用3-吗啉-4-氯-1，2，5-噻二唑为起始原料，经水解反应得到中间体1（3-吗啉-4-羟基-1，2，5-噻二唑）。中间体1与R-环氧氯丙烷发生醚化反应，经后处理及重结晶得到中间体2 {（R）-4-［4-（环氧乙烷-2-基甲氧基）-1，2，5-噻二唑-3-基］吗啉}。中间体2经胺化反应、马来酸成盐及重结晶得到（S）-马来酸噻吗洛尔。（S）-马来酸噻吗洛尔经游离、纯水转晶得到符合药典标准的（S）-噻吗洛尔半水合物，总收率14.05%且e.e.值为99.66%。最终成品经IR、1H-NMR、13C-NMR、MS、TGA、DSC表征，并优化各步反应条件。结果表明:以三乙胺为醚化反应缚酸剂75 ℃反应最佳；以乙醇为胺化反应溶剂46 ℃反应16 h最佳；S-噻吗洛尔的转晶拆分以水作溶剂，比传统不对称合成工艺安全稳定，操作简单，适合工业化生产。     

改进HSR-FCN的服装图像识别分类算法研究

目前网络上的服装图像数量增长迅猛，对于大量服装图像实现智能分类的需求日益增加。将基于区域的全卷积网络（Region-Based Fully Convolutional Networks，R-FCN）引入到服装图像识别中，针对服装图像分类中网络训练时间长、形变服装图像识别率低的问题，提出一种新颖的改进框架HSR-FCN。新框架将R-FCN中的区域建议网络和HyperNet网络相融合，改变图片特征学习方式，使得HSR-FCN可以在更短的训练时间内达到更高的准确率。在模型中引入了空间转换网络，对输入服装图像和特征图进行了空间变换及对齐，加强了对多角度服装和形变服装的特征学习。实验结果表明，改进后的HSR-FCN模型有效地加强了对形变服装图像的学习，且在训练时间更短的情况下，比原来的网络模型R-FCN平均准确率提高了大约3个百分点，达到96.69%。     

平面并联机构工作空间的三维螺旋扫描CAD求解

针对平面并联机构无奇异位置工作空间求解困难、过程繁琐、计算量大等问题，提出了基于CAD求解平面并联机构工作空间的三维螺旋扫描方法。将[n]自由度平面并联机构分解成[n]条支链进行独立分析，得到每条支链下末端执行器的可达区域，再将所有支链可达区域取交集即为平面并联机构工作空间。应用SolidWorks软件建立平面并联机构模型，进行几何特征处理，通过自动求解器求解，将求解过程图形化，快速得到同轴布局5R机构和平面3-RPR并联机构的无奇异位置工作空间。通过同轴布局5R机构的运动学实验，验证了该求解方法的可行性。     

一种抗运动干扰的实时心率提取方法

针对基于容积脉搏波（PPG）提取运动心率时，传统心率提取算法由于运动噪声干扰使测量结果误差大、实时性不好的问题，提出一种抗运动干扰的实时心率提取方法。该方法通过实时小波去噪，同时结合三轴加速度信号（ACC）对运动进行分类训练，计算各运动状态心率增益，对实时心率值进行补偿。实验结果表明，通过与同时采集的ECG信号计算出的实时心率进行对比，绝对误差率仅为1.2%左右。相比传统心率提取算法，该算法具有抗干扰性强，实时准确的特点。     

PSO优化多核RVM的模拟电路故障预测

针对模拟电路健康管理的特点，提出了一种基于PSO优化多核RVM的模拟电路故障预测方法。利用参数分析得到电路的输出频域响应作为特征，计算其与电路无故障标准响应的欧氏距离来表征电路元件健康值，将多个核函数线性组合，并用PSO优化多核RVM参数后的模型实现对各个时间点元件的健康值变化轨迹进行预测。仿真结果表明，该方法在小样本情况下，预测效果优于单一核函数的RVM模型，适用于健康管理中实时预测，具有较好的实用性。     

用CPLD实现SRAM工艺FPGA的安全应用

提出了一种利用CPLD产生的伪随机码来加密SRAM工艺FPGA的方法,并详细介绍了具体的电路和VHDL代码。     

Proving termination of GHC programs

A transformational approach for proving termination of parallel logic programs such as GHC programs is proposed. A transformation from GHC programs to term rewriting systems is developed; it exploits the fact that unifications in GHC-resolution correspond to matchings. The termination of a GHC program for a class of queries is implied by the termination of the resulting rewrite system. This approach facilitates the applicability of a wide range of termination techniques developed for rewrite systems in proving termination of GHC programs. The method consists of three steps: (a) deriving moding information from a given GHC program, (b) transforming the GHC program into a term rewriting system using the moding information, and finally (c) proving termination of the resulting rewrite system. Using this method, the termination of many benchmark GHC programs such as quick-sort, merge-sort, merge, split, fair-split and append, etc., can be proved. This is a revised and extended version of Ref. 12). The work was partially supported by the NSF Indo-US grant INT-9416687 Kapur was partially supported by NSF Grant nos. CCR-8906678 and INT-9014074. M. R. K. Krishna Rao, Ph.D.: He currently works as a senior research fellow at Griffith University, Brisbane, Australia. His current interests are in the areas of logic programming, modular aspects and noncopying implementations of term rewriting, learning logic programs from examples and conuterexamples and dynamics of mental states in rational agent architectures. He received his Ph.D in computer science from Tata Institute of Fundamental Research (TIFR), Bombay in 1993 and worked at TIFR and Max Planck Institut für Informatik, Saarbrücken until January 1997. Deepak Kapur, Ph.D.: He currently works as a professor at the State University of New York at Albany. His research interests are in the areas of automated reasoning, term rewriting, constraint solving, algebraic and geometric reasoning and its applications in computer vision, symbolic computation, formal methods, specification and verification. He obtained his Ph.D. in Computer Science from MIT in 1980. He worked at General Electric Corporate Research and Development until 1987. Prof. Kapur is the editor-in-chief of the Journal of Automated Reasoning. He also serves on the editorial boards of Journal of Logic Programming, Journal on Constraints, and Journal of Applicable Algebra in Engineering, Communication and Computer Science. R. K. Shyamasundar, Ph.D.: He currently works as a professor at Tata Institute of Fundamental Research (TIFR), Bombay. His current intersts are in the areas of logic programming, reactive and real time programming, constraint solving, formal methods, specification and verification. He received his Ph.D in computer science from Indian Institute of Science, Bangalore in 1975 and has been a faculty member at Tata Institute of Fundamental Research since then. He has been a visiting/regular faculty member at Technological University of Eindhoven, University of Utrecht, IBM TJ Watson Research Centre, Pennsylvania State University, University of Illinois at Urbana-Champaign, INRIA and ENSMP, France. He has served on (and chaired) Program Committees of many International Conferences and has been on the Editorial Committees.