Definition and detection of data-based uniqueness in evaluating bilinear (two-way) chemical measurements

Multivariate curve resolution methods, frequently used in analyzing bilinear data sets, result in ambiguous decomposition in general. Implementing the adequate constraints may lead to reduce the so-called rotational ambiguity drastically, and in the most favorable cases to the unique solution. However, in some special cases, non-negativity constraint as minimal information of the system is a sufficient condition to resolve profiles uniquely. Although, several studies on exploring the uniqueness of the bilinear non-negatively constrained multivariate curve resolution methods have been made in the literature, it has still remained a mysterious question. In 1995, Manne published his profile-based theorems giving the necessary and sufficient conditions of the unique resolution. In this study, a new term, i.e., data-based uniqueness is defined and investigated in details, and a general procedure is suggested for detection of uniquely recovered profile(s) on the basis of data set structure in the abstract space. Close inspection of Borgen plots of these data sets leads to realize the comprehensive information of local rank, and these argumentations furnish a basis for data-based uniqueness theorem. The reported phenomenon and its exploration is a new stage (it can be said fundament) in understanding and describing the bilinear (matrix-type) chemical data in general.     

On Deciding between Space Groups Pnam and Pna21 for the Crystal Structure of Zr3N4

The crystal structure of Zr₃N₄ is shown to crystallize in the centrosymmetric space group Pnam rather than in the noncentrosymmetric space group Pna2₁.     

Investigation of the equality constraint effect on the reduction of the rotational ambiguity in three-component system using a novel grid search method

The obtained results by soft modeling multivariate curve resolution methods often are not unique and are questionable because of rotational ambiguity. It means a range of feasible solutions equally fit experimental data and fulfill the constraints. Regarding to chemometric literature, a survey of useful constraints for the reduction of the rotational ambiguity is a big challenge for chemometrician. It is worth to study the effects of applying constraints on the reduction of rotational ambiguity, since it can help us to choose the useful constraints in order to impose in multivariate curve resolution methods for analyzing data sets. In this work, we have investigated the effect of equality constraint on decreasing of the rotational ambiguity. For calculation of all feasible solutions corresponding with known spectrum, a novel systematic grid search method based on Species-based Particle Swarm Optimization is proposed in a three-component system.     

Phase Transition of [2,2]‐Paracyclophane – An End to an Apparently Endless Story

In this contribution, the solid‐state low‐temperature phase structure of [2,2]‐paracyclophane is unambiguously characterised by single‐crystal X‐ray analysis. Additionally, a heat capacity measurement was undertaken, which proves the existence of a λ‐type phase transition at 45 K, a transition that is connected with the formation of a secondary C_p/T feature at 60 K. The low‐temperature phase (<45 K) crystallises in the lower symmetry space group P$\bar 4$ n2, whereas the high‐temperature phase (>60 K) crystallises in space group P4₂/mnm. This proves what has been postulated both by experimental and theoretical chemists but has repeatedly been dismissed as speculation many times.     

A new method for resolving combinatorial ambiguities at hadron colliders

We present a new method for resolving combinatorial ambiguities that arise in multi-particle decay chains at hadron colliders where the assignment of visible particles to the different decay chains has ambiguities. Our method, based on selection cuts favoring high transverse momentum and low invariant mass pairings, is shown to be significantly superior to the more traditional hemisphere method for a large class of decay chains, producing an increase in signal retention of up to a factor of 2. This new method can thus greatly reduce the combinatorial ambiguities of decay chain assignments.     

Gribov ambiguity in gauge theories

Gribov ambiguity in gauge field theories is discussed and it is shown that such an ambiguity exists even for Abelian theories in covariant gauge at finite temperature. Both geometric and algebraic proofs are presented. In view of the importance of non-perturbative methods, some special gauges are given in which such ambiguities do not exist or are not relevant. The significance of these in the study of confinement in QCD is pointed out.     

奈特不确定条件下企业有成本可逆投资策略研究

风险是企业投资决策关键影响因素之一,采纳奈特不确定性来刻画风险,并在此基础上构建了模糊规避偏好和投资有成本可逆条件下企业投资决策模型.模型结果表明企业最优投资策略为双阈值策略:企业增加投资以避免资本边际收益大于上限阈值,削减资本存量以避免资本边际收益低于下限阈值,当资本边际收益处于上下限阈值之间时,企业既不增加投资也不削减资本.比较静态分析显示奈特不确定性增加会降低最优投资策略上下限阈值范围.     

Radar ambiguity function in Lp frame

In modern radar techniques, pulse signal can be replaced by the chirps, which is taken to be signals in Lp space. Wigner's function and ambiguity functions are constructed in an Lp frame and a partial generalization of the uncertainty principle is given by means of the notion of coherent dual.     

Estimation of rotation ambiguity in multivariate curve resolution with charged particle swarm optimization (cPSO‐MCR)

Rotation ambiguity (RA) in multivariate curve resolution (MCR) is an undesirable case, when the physicochemical constraints are not sufficiently strong to provide a unique resolution of the data matrix of the mixtures into spectra and concentration profiles of individual chemical components. RA is often met in MCR of overlapped chromatographic peaks, kinetic and equilibrium data, and fluorescence two‐dimensional spectra. In case of RA, a single candidate solution has little practical value. So, the whole set of feasible solutions should be characterized somehow. It is a quite intricate task in a general case. In the present paper, a method was proposed to estimate RA with charged particle swarm optimization (cPSO), a population‐based algorithm. The criteria for updating the particles were modified, so that the swarm converged to the steady state, which spanned the set of feasible solutions. The performance of cPSO‐MCR was demonstrated on test functions, simulated datasets, and real‐world data. Good accordance of the cPSO‐MCR results with the analytical solutions (Borgen plots) was observed. cPSO‐MCR was also shown to be capable of estimating the strength of the constraints and of revealing RA in noisy data. As compared with analytical methods, cPSO‐MCR is simpler to implement, expands to more than three chemical compounds, is immune to noise, and can be easily adapted to virtually all types of constraints and objective functions (constraint based or residue based). cPSO‐MCR also provides natural visual information about the level of RA in spectra and concentration profiles, similar to the methods of two extreme solutions (e.g., MCR‐BANDS). Copyright © 2014 John Wiley & Sons, Ltd.     

随机环境下具有最低担保约束的DC养老金鲁棒投资策略

针对近年来养老金管理遇到的问题,基于模型不确定性,考虑随机环境和退休保障限制的DC型养老金最优投资策略具有重要意义.以养老金的最终价值相对于退休后年金担保的不变相对风险厌恶期望效用最大化为目标,利用随机动态规划的方法,求出鲁棒最优投资策略及相应的价值函数.最后,通过数值分析,得到各参数对最优投资策略的影响.