Optimized sample-weighted partial least squares

In ordinary multivariate calibration methods, when the calibration set is determined to build the model describing the relationship between the dependent variables and the predictor variables, each sample in the calibration set makes the same contribution to the model, where the difference of representativeness between the samples is ignored. In this paper, by introducing the concept of weighted sampling into partial least squares (PLS), a new multivariate regression method, optimized sample-weighted PLS (OSWPLS) is proposed. OSWPLS differs from PLS in that it builds a new calibration set, where each sample in the original calibration set is weighted differently to account for its representativeness to improve the prediction ability of the algorithm. A recently suggested global optimization algorithm, particle swarm optimization (PSO) algorithm is used to search for the best sample weights to optimize the calibration of the original training set and the prediction of an independent validation set. The proposed method is applied to two real data sets and compared with the results of PLS, the most significant improvement is obtained for the meat data, where the root mean squared error of prediction (RMSEP) is reduced from 3.03 to 2.35. For the fuel data, OSWPLS can also perform slightly better or no worse than PLS for the prediction of the four analytes. The stability and efficiency of OSWPLS is also studied, the results demonstrate that the proposed method can obtain desirable results within moderate PSO cycles.     

基于一维搜索和动态调节的非线性规划PSO算法

对非线性规划问题的处理通常采用罚函数法,使用罚函数法的困难在于参数的选取。本文提出了一种解非线性规划问题的新PSO算法(NSDPSO),该方法融入了一维搜索和动态调节技术,使NSDPSO很好地克服了标准PSO算法在前期收敛较快而在后期易陷入局部最优的缺陷。另外,文中还给出了一种新的适应度函数及选择算子,使算法在选择下一代时保持群体中不可行解的一定比例,这样不但能有效地增加群体的多样性,而且可以避免传统的过度惩罚,使群体向最优解逼近。最后的数据实验表明该算法对非线性规划问题求解是非常有效的。     

Structural optimization of Au–Pd bimetallic nanoparticles with improved particle swarm optimization method

Due to the dependence of the chemical and physical properties of the bimetallic nanoparticles(NPs) on their structures,a fundamental understanding of their structural characteristics is crucial for their syntheses and wide applications. In this article, a systematical atomic-level investigation of Au–Pd bimetallic NPs is conducted by using the improved particle swarm optimization(IPSO) with quantum correction Sutton–Chen potentials(Q-SC) at different Au/Pd ratios and different sizes. In the IPSO, the simulated annealing is introduced into the classical particle swarm optimization(PSO) to improve the effectiveness and reliability. In addition, the influences of initial structure, particle size and composition on structural stability and structural features are also studied. The simulation results reveal that the initial structures have little effects on the stable structures, but influence the converging rate greatly, and the convergence rate of the mixing initial structure is clearly faster than those of the core-shell and phase structures. We find that the Au–Pd NPs prefer the structures with Au-rich in the outer layers while Pd-rich in the inner ones. Especially, when the Au/Pd ratio is 6:4, the structure of the nanoparticle(NP) presents a standardized Pd_(core) Au_(shell) structure.     

基于LVQ与SVM算法的近红外光谱煤产地鉴别

传统煤产地鉴别方法一般以发热量、挥发分、粘结指数、哈氏可磨指数和坩埚膨胀序数作为分类指标,过程复杂耗时较多、耗费巨大的人力、物力并且无法直接快速的得到煤样产地等问题,借助近红外光谱技术快速无损检测的优势,利用基于SVM的留一算法对光谱数据集进行异常样本剔除,得到包含正确光谱信息的煤样光谱数据集,构造基于SVM算法与LVQ算法的定性分析模型,完成基于近红外光谱分析技术的煤产地的快速鉴别,无需对煤样的各种指标进行汇总并且人为预测。针对SVM分析模型中存在随机参数优化问题,引入PSO算法对SVM模型中的损失参数C和核函数半径g进行改进,得到最优参数,最后引入计算准确率的方法对比以上模型并进行评价分析。实验一共收集了加拿大、俄罗斯、澳大利亚、印度尼西亚、中国内蒙等5个地区的煤样光谱数据集,数据集共计305组煤样样本,其中异常样本共计10组,分别选择各国煤炭光谱的前31组作为训练样本,后6组数据作为测试样本,结果表明各分类模型的分类准确率均能达到75%以上,其中基于PSO算法改进的SVM分析模型的准确率可达到96.67%,仅一个样本出现问题,可快速高效地实现基于近红外光谱分析技术的煤产地的鉴别。     

Retrieval of aerosol size distribution using improved quantum-behaved particle swarm optimization on spectral extinction measurements

An improved quantum-behaved particle swarm optimization (IQPSO) algorithm is employed to determine aerosol size distribution (ASD). The direct problem is solved using the anomalous diffraction approximation and Lambert–Beer's Law. Compared with the standard particle swarm optimization algorithm, the stochastic particle size optimization algorithm and the original QPSO, our IQPSO has faster convergence speed and higher accuracy within a smaller number of generations. Optimization parameters for the IQPSO were also evaluated; we recommend using four measurement wavelengths and 50 particles. Size distributions of various aerosol types were estimated using the IQPSO under dependent and independent models. Finally, experimental ASDs at different locations in Harbin were recovered using the IQPSO. All our results confirm that the IQPSO algorithm is an effective and reliable technique for estimating ASD.     

无人水下航行器势场航路规划方法研究

对运动障碍威胁环境下UUV航路规划问题进行了研究。首先分别对规划过程中固定障碍、运动障碍建立了排斥势场,对目标点建立了吸引势场,将航路规划问题转变为寻找最优势场点问题;然后提出一种改进的粒子群算法(NPSO),在UUV航路规划过程中,寻找距离当前路径点固定步长范围内的最优势场点,将其作为下一路径点,最终实现UUV在运动障碍威胁环境中的航路规划;最后对所提方法进行了仿真验证,UUV可以有效躲避固定障碍与运动障碍威胁,寻找到较优航路,取得了较好的仿真效果。     

粗糙目标样片光谱双向反射分布函数的实验测量及其建模

实验测量了紫红色和白色涂漆板在400～780 nm内的光谱双向反射分布函数(光谱BRDF),分析了光谱双向反射分布函数随波长及散射角的变化趋势与目标样片光学特性的关系.应用改进的粒子群算法,结合双向反射分布函数五参量模型,获得了测量光谱范围内各波长(间隔1 nm)对应的共381组五参量值.利用五参量模型计算了目标样片的光谱双向反射分布函数及其方向半球反射率(DHR),并与实验测量数据相比较,两者吻合良好,表明目标光谱双向反射分布函数建模方法与结果的可行性和可靠性.目标样片的光谱双向反射分布函数可以用来研究目标的光谱散射特性,对目标的探测、跟踪、识别和特征提取等具有重要的应用价值.     

PSO算法用于WDM系统多信道PMD补偿的研究

根据波分复用（Wavelength Division Multiplexing,WDM）系统多信道偏振模色散（Polarization Mode Dispersion,PMD）的最坏信道补偿方案,将粒子群优化（Particle Swarm Optimization,PSO）算法用于多信道的PMD补偿.在补偿最坏信道的同时,保障了其他信道的性能.并以两信道PMD补偿系统为例进行了数值模拟,得到了很好的补偿效果.     

快速提取农作物氮素光谱信息实验研究

探索一种快速优选农作物氮素光谱波长方法,对确定作物氮含量有重要意义。基于均匀试验的“均衡分布”特性,设计了一种改进粒子群法。通过均匀分布初始粒子群,采用较少样本点来详细描述优化空间,从而解决标准粒子群法易于陷入局部最优解的问题,并加快了优化收敛速度。应用此改进算法快速提取大豆、棉花、玉米三种作物氮素光谱信息,结合偏最小二乘法(PLS)建立校正模型,结果表明,优选后的波长数目降低约93%,减少了工作量,提高了检测速度,且此结果与提取的三种作物冠层光谱反射特征波段相对应。根据优选后波长建立的校正模型的预测精度提高约34%,增强了预测建模能力,验证了该方法快速提取光谱信息的可行性和有效性。     

基于粒子群优化算法的自适应图像分割方法

提出了一种基于粒子群优化算法的图像分割新方法。粒子群优化(PSO)算法是一类随机全局优化技术,它通过粒子间的相互作用发现复杂搜索空间中的最优区域缩短了寻找阈值的时间。将PSO用于基于改进的最佳加权熵阈值法的图像分割中,试验结果表明,该方法不仅能够避免陷入局部极值,而且其速度得到了明显的改善,是一种有效的图像分割新方法。