Quantum Mechanics Emerges from Information Theory Applied to Causal Horizons

It is suggested that quantum mechanics is not fundamental but emerges from classical information theory applied to causal horizons. The path integral quantization and quantum randomness can be derived by considering information loss of fields or particles crossing Rindler horizons for accelerating observers. This implies that information is one of the fundamental roots of all physical phenomena. The connection between this theory and Verlinde’s entropic gravity theory is also investigated.     

Simulated Annealing Algorithm as Applied to the Resolution of Complex Spectra

Abstract

Simulated annealing algorithm (SAA) was applied to locate the global minimum of a non-linear least square function for spectra fitting. The resolution of methylene region of two ¹³C-NMR spectra of polystyrene was implemented successfully with this method. Compared with the existing methods, this technique has important advantages in two respects: one is that the resulting resolution of spectra with this method have lesser dependence on the initial values of the parameters inputted to start the optimization of the least square function; the other is that it provides the possibility to determine the peaks which cannot be recognized by the observation. With this technique, some possible error arising from the observation can be avoided.     

基于自适应神经模糊推理系统的光谱预测

由于神经网络具有自适应以及自学习功能,模糊系统具有很好的非线性推理能力。将二者相结合的自适应神经模糊推理系统吸收了二者的优点,将其应用于对模型特征的分析和建模上,通过对数据的学习可以预测特性非常复杂的系统,如荧光光谱。荧光光谱分析法操作简单,精度高,分析速度快,是研究分子内部结构的重要手段。预测荧光光谱更具有重要意义。文章以N₂分子的脉冲放电的发射谱为例进行了预测,预测结果显示,该方法可以预测光谱谱线的重要信息,误差均小于1.66%,达到了此次实验的精度要求,具有满意的效果。对光谱的预测是切实可行的。     

白矮主序双星光谱的参数自动测量研究

白矮主序双星是一类致密的双星系统, 主星是一颗白矮星,伴星是一颗小质量的M型主序星。白矮主序双星光谱的数量相对较少,但对该类天体的研究对于进一步理解密近双星的演化, 特别是公共包层演化的物理机制等重要的天体物理热点有积极的意义。SDSS-DR12是美国SLOAN巡天望远镜发布的最新数据,基于前期实验在其中发现的4, 140个白矮主序双星光谱,通过最小二乘法对这些光谱进行分解后,使用模板匹配方法,测量了这批样本中两个子星的基本参数,包括有效温度、重力加速度、金属丰度等,并对结果进行了分析和统计,进一步丰富了白矮主序双星模板库。白矮主序双星的参数测量的主要问题是计算量大,在实验中使用了GPU技术,提高了匹配效率,在海量光谱处理方向进行了有益尝试。实验结果表明该方法对大型巡天望远镜的海量光谱参数自动处理有较重要的应用价值。     

Gram-Schmidt Orthogonalization and Elimination of the Effect of Unwanted Component Spectra Applied to a Biological Mid-infrared Spectra Collection

Abstract

Near Infrared spectroscopy (NIR) is the most widely used technique for the analysis of major biochemical constituents in food products. The Mid-infrared range spectroscopy is also being more and more studied in the field of food analysis. This range was primarily applied to qualitative analysis of food components, but with the advent of new techniques such as Attenuated Total Reflectance (ATR) together with the possibility of combination with powerful micro-computers, MIR is now more and more used for quantitative analysis.

In addition to baseline deformations, interference by unwanted compounds are major sources of problems that are encountered in analyses.

We have previously proposed (Cadet et al., 1991) the use of multidimensional statistical analysis combined with Mid-FTIR spectroscopy for the prediction of sucrose concentrations in biological solutions containing three sugars: sucrose, fructose and glucose.

In this paper, a least-squares method has been used to assess the elimination of the component spectra associated to the fructose (the unwanted components were first orthogonal zed and normalized by the Gram-Schmidt orthogonalization method). This procedure permitted the automatic subtraction of discriminant spectral patterns representative of fructose concentration before application of Principal Component Analysis (PCA) and Principal Component Regression (PCR). PCA was applied independently before and after spectral correction of the collections. It is found that when the factorial maps obtained before and after correction are compared, the elimination procedure improves significantly the classification of solutions according to their sucrose content. However the bias and standard deviation (SD) values that are associated with the sucrose content predicted values are not influenced by the correction method used: bias and SD are 3.62×10^?2 and 3.097×10^?1 before correction and after correction they were respectively 3.60×10^?2 and 3.104×10^?1. This could be explained by the fact that the presence of fructose in solution does not interfere with caracteristic absorption bands of sucrose and that sucrose and fructose concentrations are strongly correlated. The absorbtions bands of the spectral representation of the principal component, which is identified to be that associated with sucrose, are identical before and after correction.     

神经网络在波谱中的应用：拉曼光谱数据处理

本文深入研究了神经网络在波谱中的应用。考察了神经网络应用于拉曼光谱数据处理的各种条件及性能，包括学习速率常数（ｌｅａｒｎｉｎｇｒａｔｅｐａｒａｍｅｍｒ）β与传递函数（ｔｒａｎｓｆｅｒｆｕｎｃｔｉｏｎ）ｆ（ｘ）的影响，发现采用非线性双曲线正切ｓｉｇｍｏｉｄ函数和较强的学习率β＝０．５时，可获得较佳的神经网络。对原始谱图及处理后谱图进行比较，证实了神经网络能够提高谱线分辨力，修正波谱微小变形及获得良好的信噪比，说明神经网络可在拉曼光谱中获得很好的应用。     

基于LAMOST光谱的恒星大气物理参数估计

基于实测光谱的恒星大气物理参数估计是探索恒星本质的首要任务。随着郭守敬望远镜(LAMOST)进入正式巡天阶段,正以前所未有的速度获取海量的恒星实测光谱数据,这为星系研究带来了新的机遇和挑战。由于LAMOST是多目标光纤光谱天文望远镜,获取的光谱噪音比较大。光谱前期处理中的波长定标和流量定标精度不高,导致光谱存在微小畸变,这些都大大增加了恒星大气物理参数测量的难度。如何对LAMOST实测光谱的恒星大气物理参数进行自动测量是迫切期待需要研究的一个重要课题,关键是如何消除噪声,提高恒星大气物理参数的测量精度和鲁棒性。提出了一个测量LAMOST恒星光谱大气参数的回归模型(SVM(lasso))。基本思路是:首先使用Haar小波对光谱信号进行滤波,抑制光谱中噪声的不利影响,最大限度地保留光谱判别信息。然后采用lasso算法进行特征选择,选取与恒星大气物理参数相关性强的特征。最后将选择的光谱特征输入支持向量机回归模型对恒星大气物理参数进行估计,该模型对光谱畸变和噪音的容忍性比较好,提高了测量的精确度。为了验证上述方案的可行性,在33 963条LAMOST先导巡天恒星光谱库上作了实验研究,三个恒星大气物理参数的精度分别为log Teff:0.006 8dex,log g:0.1551dex,[Fe/H]:0.104 0dex。     

Statistical Inference for Ergodic Algorithmic Model (EAM), Applied to Hydrophobic Hydration Processes

The thermodynamic properties of hydrophobic hydration processes can be represented in probability space by a Dual-Structure Partition Function {DS-PF} = {M-PF} · {T-PF}, which is the product of a Motive Partition Function {M-PF} multiplied by a Thermal Partition Function {T-PF}. By development of {DS-PF}, parabolic binding potential functions α) RlnK_dual = (−ΔG°_dual/T) ={f(1/T)*g(T)} and β) RTlnK_dual = (−ΔG°_dual) = {f(T)*g(lnT)} have been calculated. The resulting binding functions are “convoluted” functions dependent on the reciprocal interactions between the primary function f(1/T) or f(T) with the secondary function g(T) or g(lnT), respectively. The binding potential functions carry the essential thermodynamic information elements of each system. The analysis of the binding potential functions experimentally determined at different temperatures by means of the Thermal Equivalent Dilution (TED) principle has made possible the evaluation, for each compound, of the pseudo-stoichiometric coefficient ±ξ_w, from the curvature of the binding potential functions. The positive value indicates convex binding functions (Class A), whereas the negative value indicates concave binding function (Class B). All the information elements concern sets of compounds that are very different from one set to another, in molecular dimension, in chemical function, and in aggregation state. Notwithstanding the differences between, surprising equal unitary values of niche (cavity) formation in Class A <Δh_for>_A = −22.7 ± 0.7 kJ·mol⁻¹ ·ξ_w⁻¹ sets with standard deviation σ = ±3.1% and <Δs_for>_A = −445 ± 3J·K⁻¹·mol⁻¹·ξ_w⁻¹J·K⁻¹·mol⁻¹·ξ_w⁻¹ with standard deviation σ = ±0.7%. Other surprising similarities have been found, demonstrating that all the data analyzed belong to the same normal statistical population. The Ergodic Algorithmic Model (EAM) has been applied to the analysis of important classes of reactions, such as thermal and chemical denaturation, denaturation of proteins, iceberg formation or reduction, hydrophobic bonding, and null thermal free energy. The statistical analysis of errors has shown that EAM has a general validity, well beyond the limits of our experiments. Specifically, the properties of hydrophobic hydration processes as biphasic systems generating convoluted binding potential functions, with water as the implicit solvent, hold for all biochemical and biological solutions, on the ground that they also are necessarily diluted solutions, statistically validated.     

Information Content of Acoustic Attenuation Spectra

In recent years ultrasonic attenuation spectroscopy has gained much attention as a method for the characterisation of concentrated dispersions. Several publications have shown, that this method allows the accurate determination of particle size. In particular for submicron dispersions there is, however, some uncertainty to which degree the details of a size distribution can be resolved by acoustic attenuation measurements. Ideally the inversion of an attenuation spectrum into a size distribution would yield as much distribution parameters as sound frequencies. In practice, however, the measurement errors affect the inversion very strongly and may result in multiple solutions for the size distribution. The maximum number of distribution parameters, for which a unique solution exists, can be therefore regarded as the information content. For a given ultrasonic spectrometer and material system it is possible to quantify the information content. Such an information analysis has been conducted with selected material systems in the submicron range. The investigation shows that the information content of acoustic attenuation spectra with regard to particle size analysis in the submicron range is relatively low. On the other hand, the results imply that the number of frequencies can be reduced significantly without loss of information content or stability of inversion algorithms.     

U(2) Algebraic Model Applied to Stretching Vibrational Spectra of Tetrahedral Molecules

The highly excited stretching vibrational energylevels and the intensities of infrared transitions intetrahedral molecules are studied in a U(2) algebraicmodel. Its applications to silane and silicon tetrafluoride are presented, with smallerstandard deviations than those of othermodels.     

碳炔分子红外振动光谱的理论模拟研究

碳炔分子具有不同的结构，相应的红外谱图具有不同的振动吸收峰位。本文以GAUSSIAN98计算程序在HF水平选用6—31 G(d，p)基组对两种不同结构碳炔的红外光谱进行理论模拟计算。结果表明两种不同结构的碳炔分子的红外振动吸收峰位存在差异，不同共轭碳链长度影响红外吸收峰的峰位和峰强度。计算结果可应用于碳炔材料红外谱图的谱峰归属和分析。     

Experimental Validation of Linear-Stability Theory Applied to a Submerged Jet

Doklady Physics - A submerged air jet of circular cross section of 0.12 m in diameter and a long laminar region (~5 jet diameters) is obtained experimentally at the Reynolds number of 5400. Within...     

小波包熵的复杂体系近红外光谱信息提取

有用信息提取是复杂体系近红外检测的重点和难点之一。由于复杂体系光谱中存在各种噪声、基线漂移、谱带重叠及复杂背景的干扰,常规方法不能准确地从光谱中获得有用信息。为此,将小波包变换(DWPT)和信息熵理论相结合--小波包熵(EWPIE)提取复杂体系光谱中的有用信息。思路是采用小波包变换对光谱信号进行多频带分解,根据有用信号与噪声的频带分布特点,基于信息熵理论滤除干扰的频率分量,采用正交校正法(OSC)剔除与被测组分无关的信息,然后对处理后的频率分量进行重构,从而实现复杂体系有用信息的准确提取。通过对复杂体系光谱数据建立多元校正模型来验证该方法的效果。采用牛奶的近红外光谱数据,以牛奶中脂肪和蛋白质浓度为研究对象,建立了偏最小二乘法(PLS)模型。结果显示,牛奶中脂肪和蛋白质的预测均方根误差(RMSEP)分别为0.132%和0.121%,与单纯的DWPT和OSC相比,EWPIE能够有效地提取有用信息,避免了无用信息的干扰,明显提高了模型的预测精度,对复杂体系的准确检测具有一定的理论意义和实际应用价值。     

Real Spectra of PT-symmetric Operators and Perturbation Theory

A criterion is provided for the reality of the spectrum for a class of non self-adjoint operators in a Hilbert space invarariant under a particular discrete symmetry. Applications to the PT-symmetric Schrödinger operators are discussed.     

A Systematic Methodology for the Analysis of Multicomponent Photoreflectance Spectra Applied to GaAsBi/GaAs Structure

Physics of the Solid State - The multicomponent responses of photoreflectance spectrum is experimentally studied using selective phase analysis. After several experimental tests, the phase diagram...     

三苯基咔咯金属配合物的振动光谱和DFT计算

对三苯基咔咯金属配合物(MTPC, M=Ni, Cu, Co, Mn)的拉曼和红外光谱进行了实验研究. 用DFT方法计算了其基态几何结构以及红外和拉曼光谱,并基于计算结果对测量到的振动谱带进行了局域坐标归属. 研究发现,由于对称性降低,咔咯金属配合物的振动光谱比卟啉金属配合物更为复杂,若干咔咯骨架振动与苯取代基强烈耦合.考察了拉曼和红外谱带频率变化与咔咯环结构的关系,发现随着环内核尺寸的减小,与C^I_αC^I_α键伸缩振动和C?Cm键伸缩振动相关的拉曼谱带频率增加,其中C^I_αC^I_α伸缩振动的拉曼谱带对环内核尺寸的变化更为敏感且呈良好的线性关系,可以作为反映金属咔咯骨架结构变化的特征谱带.     

Accurate Quantification of H Spectra: From Finite Impulse Response Filter Design for Solvent Suppression to Parameter Estimation

A scheme for accurate quantification of ¹H spectra is presented. The method uses maximum-phase finite impulse response (FIR) filters for solvent suppression and an iterative nonlinear least-squares (NLLS) algorithm for parameter estimation. The estimation algorithm takes the filter influence on the metabolites of interest into account and can thereby correctly incorporate a large variety of prior knowledge into the estimation phase. The FIR filter is designed in such a way that no distortion of the important initial samples is introduced. The FIR filter method is compared numerically with the HSVD method for water signal removal in a number of examples. The results show that the FIR method, using an automatic filter design scheme, slightly outperforms the HSVD method in most cases. The good performance and ease of use of the FIR filter method combined with its low computational complexity motivate the use of the proposed method.     

Heavy Hadron Spectra to the Order 1/M in Heavy Quark Effective Theory

The heavy meson and baryon spectra are studied to the order of 1/M_Q in heavy quark effective theory. A phenomenological formula for the dependence of the spectra on the isospin and strangeness of the light quark system contained in heavy hadrons is proposed and its predictions are in agreement with the present experimental data. The predictions of beauty hadron masses including the 1/M_Q corrections are given. The parameters of the order of 1/M_Q are estimated from phenomenological analyses.     

运动Dyon粒子双矢势场方程的格林函数解

首先回顾了有磁荷(或等效磁荷)存在的情况下电磁场双四维势的描述方法，给出了场强与双四维势的关系以及具有电磁对偶对称性的Maxwell方程；利用Green函数法求出了场方程具有Lorentz变换协变性的推迟解；最后给出了广义李纳-魏谢尔势的表述形式.     

电流变技术中的控制理论及参数优化

针对ER型动力元件,阐述了含ER技术的机械系统控制方程的建立方法,运用控制理论建立了其状态方程。同时,对其进行了一般性分析及参数优化设计。发现电流变动力元件可以很简单地依靠调整工作位置来改善元件的动态性能。ER型流体控制元件属典型阻尼元件。