Fast computation of generic bivariate resultants

We prove that the resultant of two “sufficiently generic” bivariate polynomials over a finite field can be computed in quasi-linear expected time, using a randomized algorithm of Las Vegas type. A similar complexity bound is proved for the computation of the lexicographical Gröbner basis for the ideal generated by the two polynomials.     

Improved neural networks based on genetic algorithm for pulse recognition

Pulse diagnosis is an important part of Chinese medicine and has played an important role in the development of Chinese medical science. However, the pulse is traditionally determined by cutting it off, which leads to a lack of objective standard pulse identification methods and affects their accuracy and feasibility. This research has studied and discussed the processing and identification of four kinds of pulse: normal pulse, wiry pulse, smooth pulse, and thready pulse. Four frequency-domain characteristics of the pulse wave and six kinds of wavelet scale energy characteristic information were extracted, and a three-layer BP (backprocessing) neural network was established. The LM (Levenberg–Marquard) algorithm and a genetic algorithm were used to improve the BP neural network, to train on and predict experimental samples, and to obtain classification accuracies of 90% and 95% respectively. Moreover, improved BP neural network based on a genetic algorithm has shown highly superior performance in terms of convergence speed and low error rate.     

吸收峰混叠的太赫兹光谱区间组合特征提取算法

太赫兹光谱是物质识别的前沿方法之一。由于不同物质的分子组成或结构各异,许多物质的太赫兹吸收谱会在特定频率上出现吸收峰,可以作为混合物成分检测的重要特征。有效准确地提取这些吸收峰的参数,是提高识别率的关键。多峰拟合算法将光谱曲线拟合成若干个标准峰函数之和,能够同时提取到吸收峰的频率、峰高、峰宽等信息。但是该算法以寻峰算法结果为基础确定吸收峰的大致位置和数量,寻峰结果不一定是最优的拟合结果,而且很难准确识别定位混叠状态的吸收峰。为了提高混叠光谱中吸收峰的识别定位精度,提出以大幅度平滑后的曲线波谷为分界点,将预处理后的光谱分成若干个子区间。然后将子区间组合起来进行多峰拟合,通过遗传算法得到最优的拟合子区间组合和吸收峰频率近似值,拟合时每个子区间中通过峰数递增最优化方法确定拟合的吸收峰数,最后微调优化得到最优的吸收峰频率、峰高值。为了实现物质的识别,通过密度聚类算法得到同一类纯净物在多次测量中的共同吸收峰,以此作为标准数据,通过提出的基于吸收峰特征的光谱匹配算法实现了纯净物和不同含量混合物的快速识别。对10类纯净物的实际光谱数据进行拟合聚类,得到其吸收峰参数,结果与太赫兹光谱数据库一致。通过识别算法对纯净物测试集进行识别的识别率为100%,证明了特征提取和物质识别算法的有效性。对于含有混叠峰的混合物光谱,二阶导数法对葡萄糖-乳糖混合物光谱中被掩盖吸收峰(1.280 THz)的识别率仅为70%,提取到的频率平均值为1.316 THz;而该算法提高识别率至95%,频率平均值为1.281 THz,该算法提高了对混叠峰的分辨能力,能够精确定位混叠峰。对10类纯净物构成的6类不同程度混叠的二元混合物前二、三识别率分别达到90.8%和98.3%,提取到的特征能够有效应用于混合物的成分检测。该算法能够以纯净物数据为标准数据实现成分各异的混合物成分检测,对于太赫兹光谱混合物成分检测有重要意义。     

Synthesis,Biochemical Characterization,and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family

Lysine acetylation is a charge-neutralizing post-translational modification of proteins bound by bromodomains (Brds). A 1,2,4-triazole amino acid (ApmTri) was established as acetyllysine (Kac) mimic recruiting Brds of the BET family in contrast to glutamine commonly used for simulating this modification. Optimization of triazole substituents and side chain spacing allowed BET Brd recruitment to ApmTri-containing peptides with affinities similar to native substrates. Crystal structures of ApmTri-containing peptides in complex with two BET Brds revealed the binding mode which mirrored that of Kac ligands. ApmTri was genetically encoded and recombinant ApmTri-containing proteins co-enriched BRD3(2) from cellular lysates. This interaction was blocked by BET inhibitor JQ1. With genetically encoded ApmTri, biochemistry is now provided with a stable Kac mimic reflecting charge neutralization and Brd recruitment, allowing new investigations into BET proteins in vitro and in vivo.     

A Versatile Strategy for Screening Custom-Designed Warhead-Armed Cyclic Peptide Inhibitors

Demand for peptide-based pharmaceuticals has been steadily increasing, but only limited success has been achieved to date. To expedite peptide-based drug discovery, we developed a general scheme for cell-based screening of cyclic peptide inhibitors armed with a user-designed warhead. We combined unnatural amino acid incorporation and split intein-mediated peptide cyclization techniques and integrated a yeast-based colorimetric screening assay to generate a new scheme that we call the custom-designed warhead-armed cyclic peptide screening platform (CWCPS). This strategy successfully discovered a potent inhibitor, CY5-6Q, that targets human histone deacetylase 8 (HDAC8) with a K_D value of 15 nM. This approach can be a versatile and general platform for discovering cyclic peptide inhibitors.     

基于内源性致香物质和化学计量学的烟草感官评价研究

采用主成分分析法结合遗传算法和神经网络,建立了基于烟草内源性致香物质的感官质量评价预测模型。利用气相色谱-质谱(GC-MS)技术对超临界萃取-分子蒸馏所得烟草精油中的内源性致香组分进行定性定量分析,汇总各类致香指标后,对其进行主成分分析;以提取所得5个主成分的得分作为输入变量,感官评吸分数作为输出变量,分别使用标准BP神经网络和遗传算法(GA)优化的BP神经网络建立预测模型。对比实验结果表明,GA优化后的模型预测效果更优,其预测值与实验值间的相关系数为0.96,预测均方根误差为1.81,说明GA-BP模型具有更好的拟合能力和预测能力,该模型能有效地预测烟草精油的感官品质。     

Algorithm of Barrier Objective Penalty Function

In this paper, an algorithm of barrier objective penalty function for inequality constrained optimization is studied and a conception–the stability of barrier objective penalty function is presented. It is proved that an approximate optimal solution may be obtained by solving a barrier objective penalty function for inequality constrained optimization problem when the barrier objective penalty function is stable. Under some conditions, the stability of barrier objective penalty function is proved for convex programming. Specially, the logarithmic barrier function of convex programming is stable. Based on the barrier objective penalty function, an algorithm is developed for finding an approximate optimal solution to an inequality constrained optimization problem and its convergence is also proved under some conditions. Finally, numerical experiments show that the barrier objective penalty function algorithm has better convergence than the classical barrier function algorithm.     

Cr(VI) and Cu(II) removal from aqueous solution in fixed bed column using rice bran; experimental,statistical and GA modelling

Rice bran, a green and low-cost adsorbent, is used for Chromium (VI) and Copper (II) remotion from its aqueous solution. The influence of different process parameters in a fixed-bed on the removing efficiency has been investigated. The results show that the removal efficiency is higher at a minimum flow rate, low metal ion concentration, and higher bed height. The adsorption studies show that the rice bran has a better affinity to Chromium (VI) than Copper (II). Different kinetic models are used for the prediction of the column performance. This study shows that rice bran could be a potential and eco-friendly adsorbent for chromium (VI) and copper (II) removal and is suitable for developing countries like India. Multiple linear regression and ANN-based genetic algorithm modelling have been applied successfully to predict both metal ions' percentage removal separately.