A novel kernel Fisher discriminant analysis: constructing informative kernel by decision tree ensemble for metabolomics data analysis

Large amounts of data from high-throughput metabolomics experiments become commonly more and more complex, which brings an enormous amount of challenges to existing statistical modeling. Thus there is a need to develop statistically efficient approach for mining the underlying metabolite information contained by metabolomics data under investigation. In the work, we developed a novel kernel Fisher discriminant analysis (KFDA) algorithm by constructing an informative kernel based on decision tree ensemble. The constructed kernel can effectively encode the similarities of metabolomics samples between informative metabolites/biomarkers in specific parts of the measurement space. Simultaneously, informative metabolites or potential biomarkers can be successfully discovered by variable importance ranking in the process of building kernel. Moreover, KFDA can also deal with nonlinear relationship in the metabolomics data by such a kernel to some extent. Finally, two real metabolomics datasets together with a simulated data were used to demonstrate the performance of the proposed approach through the comparison of different approaches.     

基于Phong模式的分裂Monte Carlo模拟红外室内信道脉冲响应函数

介绍了基于Phong模式的Monte Carlo方法.该方法能够对红外室内通信的重要性能参数—— 信道脉冲响应函数进行快速有效的计算，可应用于包括漫反射、镜面反射以及粗糙度介于这 两种反射之间的表面反射情形的信道中.相对于经典的有限元法，在高次反射时具有更为明 显的优势，不但计算速度快，而且计算结果也更接近真实信道环境.该方法的使用，能够为 设计高性能红外系统提供更为可靠的参数. 关键词： 红外室内通信 脉冲响应函数 分裂Monte Carlo Phong 模式     

一个可能的有四代轻费米子的SU(7)大统一模型

本文提出了一个可能的SU(7)大统一理论的模型,其中包含四代轻费米子,它们的弱作用是V—A型式的。在此模型中,可以得到所期望的m_μ～3m_s,m_em_μ～m_dm_s,Cabibbo角sinθ₁～(m_d/m_s)^1/2和SU(5)标准模型中得到的所有符合实验的结果。     

陪集空间纯规范场

本文引入了陪集空间纯规范场的概念,利用子群H上的规范场和陪集空间G/H上的纯规范场,通过G在H上的诱导表示,构造了G群下定域不变的拉氏函数理论,讨论了SU₂×SU₂规范理论和σ模型以及空间拓扑性质非平凡时这个理论的应用。     

Pulsed-field ionization electron spectroscopy and conformation of copper-diammonia

Copper-diammonia, Cu(NH3)2, and its deuterated species, Cu(ND3)2, are produced in supersonic molecular beams and studied by pulsed-field ionization zero electron kinetic energy photoelectron spectroscopy and ab initio calculations. Structural isomers with a copper atom binding to an ammonia dimer or two ammonia molecules are obtained by the calculations. By comparing the experimental measurements to the theoretical calculations, the neutral and ionic forms of copper-diammonia are determined to be in a doubly bound linear conformation in their ground electronic states. The adiabatic ionization potentials of Cu(NH3)2 and Cu(ND3)2 are measured as 29,532 (5) and 29,313 (5) cm(-1), respectively. The metal-ligand symmetric stretching frequencies are measured to be 436 cm(-1) for Cu+-(NH3)2 and 398 cm(-1) for Cu+-(ND3)2, and the metal-ligand bending frequencies 75,139 cm(-1) for CuCu+-(NH3)2 and 70125 cm(-1) for CuCu+-(ND3)2. Moreover, the dissociation energy of Cu(NH3)2-->CuNH3+NH3 is determined to be 11(3) kcal mol(-1) through a thermodynamic relationship.     

电子、磁单极子和光子的相互作用(Ⅰ)

利用处理磁单极谐函数所发展起来的方法,我们提出了电子、磁单极子和光子相互作用的二次量子化理论.在第一篇文章中我们讨论相互作用的电子、磁单极子和电磁场系统.其中,电子和磁单极子被当作自旋1/2的狄拉克粒子,且暂不考虑负能态.     

用共振拉曼光谱研究电子激发态铜卟啉与DNA的相互作用

用共振拉曼光谱研究电子激发态铜卟啉与ＤＮＡ的相互作用赵晓杰，江山，陆冬生，陆琳，毛慈波，安承武，范永昌，李再光（华中理工大学激光技术国家重点实验室武汉，４３００７４）周翔，黄素秋（武汉大学化学系）关键词水溶性卟啉，受激复合物，ＤＮＡ，共振拉曼光谱在卟...     

A novel orthogonally linearly polarized Nd:YVO4 laser

<正>We presented a novel orthogonally linearly polarized Nd:YVO₄ laser.Two pieces of a-cut grown-together composite YVO₄/Nd:YVO₄ crystals were placed in the resonant cavity with the c-axis of the two crystals orthogonally.The polarization and power performance of the orthogonally polarized laser were investigated.A 26.2-W orthogonally linearly polarized laser was obtained.The power ratio between the two orthogonally polarized lasers was varied with the pump power caused by the polarized mode coupling.The longitudinal modes competition and the corresponding variable optical beats were also observed from the orthogonally polarized laser.We also adjusted the crystals with their c-axis parallele to each other,and a 40.7-W linearly polarized TEMoo laser was obtained,and the beam quality factors were M_x²=1.37 and M_y² =1.25.     

Photoelectron angular distributions from above threshold ionization of hydrogen atoms in strong laser fields

We apply a scattering theory of nonperturbative quantum electrodynamics to study the photoelectron angular distributions (PADs) of a hydrogen atom irradiated by linearly polarized laser light. The calculated PADs show main lobes and jetlike structure. Previous experimental studies reveal that in a set of above-threshold-ionization peaks when the absorbed-photon number increases by one, the jet number also increases by one. Our study confirms this experimental observation. Our calculations further predict that in some cases three more jets may appear with just one-more-photon absorption. With consideration of laser-frequency change, one less jet may also appear with one-more-photon absorption. The jetlike structure of PADs is due to the maxima of generalized phased Bessel functions, not an indication of the quantum number of photoelectron angular momentum states.     

Electron spectroscopy, molecular structures, and binding energies of Al- and Cu-imidazole

Al- and Cu-imidazole are produced in laser-vaporization supersonic molecular beams and studied with pulsed field ionization-zero electron kinetic energy (ZEKE) spectroscopy and second-order M?ller-Plesset (MP2) theory. The sigma and pi structures of these complexes are predicted by MP2 calculations, but only the sigma structures are identified by the experimental measurements. For these sigma structures, adiabatic ionization energies and several vibrational frequencies are measured from the ZEKE spectra, the ground electronic states of the neutral and ionized complexes are determined by comparing the observed and calculated spectra, and the metal-ligand bond dissociation energies of the neutral states are derived by using a thermochemical relation. The measured vibrational modes include the metal-ligand stretch and bend and ligand ring distortions. The metal-ligand stretch frequencies of these transient complexes are compared with those of coordinately saturated, stable metal compounds, and the ligand-based distortion frequencies are compared with those of the free ligand. Al-imidazole has a larger bond dissociation energy than Cu-imidazole, although the opposite order was previously found for the corresponding ions. The weaker bonding of the Cu complex is attributed to the antibonding interaction and the electron repulsion between the Cu 4s and N lone-pair electrons.