An alternative proof of lower bounds for the first eigenvalue on manifolds

Recently, Andrews and Clutterbuck [1] gave a new proof of the optimal lower eigenvalue bound on manifolds via modulus of continuity for solutions of the heat equation. In this short note, we give an alternative proof of Theorem 2 in [1]. More precisely, following Ni's method (Section 6 of [5]), we give an elliptic proof of this theorem.     

Analysis of the mean squared derivative cost function

In this paper, we investigate the mean squared derivative cost functions that arise in various applications such as in motor control, biometrics and optimal transport theory. We provide qualitative properties, explicit analytical formulas and computational algorithms for the cost functions. We also perform numerical simulations to illustrate the analytical results. In addition, as a by‐product of our analysis, we obtain an explicit formula for the inverse of a Wronskian matrix that is of independent interest in linear algebra and differential equations theory. Copyright © 2017 John Wiley & Sons, Ltd.     

Evaluation of the quality consistency of powdered poppy capsule extractive by an averagely linear‐quantified fingerprint method in combination with antioxidant activities and two compounds analyses

A novel averagely linear‐quantified fingerprint method was proposed and successfully applied to monitor the quality consistency of alkaloids in powdered poppy capsule extractive. Averagely linear‐quantified fingerprint method provided accurate qualitative and quantitative similarities for chromatographic fingerprints of Chinese herbal medicines. The stability and operability of the averagely linear‐quantified fingerprint method were verified by the parameter r . The average linear qualitative similarity (improved based on conventional qualitative “Similarity”) was used as a qualitative criterion in the averagely linear‐quantified fingerprint method, and the average linear quantitative similarity was introduced as a quantitative one. was able to identify the difference in the content of all the chemical components. In addition, was found to be highly correlated to the contents of two alkaloid compounds (morphine and codeine). A simple flow injection analysis was developed for the determination of antioxidant capacity in Chinese Herbal Medicines, which was based on the scavenging of 2,2‐diphenyl‐1‐picrylhydrazyl radical by antioxidants. The fingerprint–efficacy relationship linking chromatographic fingerprints and antioxidant activities was investigated utilizing orthogonal projection to latent structures method, which provided important pharmacodynamic information for Chinese herbal medicines quality control. In summary, quantitative fingerprinting based on averagely linear‐quantified fingerprint method can be applied for monitoring the quality consistency of Chinese herbal medicines, and the constructed orthogonal projection to latent structures model is particularly suitable for investigating the fingerprint–efficacy relationship.     

Resolvent estimates and smoothing for homogeneous partial differential operators on graded Lie groups

By using commutator methods, we show uniform resolvent estimates and obtain globally smooth operators for self-adjoint injective homogeneous operators H on graded groups, including Rockland operators, sublaplacians, and many others. Left or right invariance is not required. Typically the globally smooth operator has the form T = V|H|^1∕2, where V only depends on the homogeneous structure of the group through Sobolev spaces, the homogeneous dimension and the minimal and maximal dilation weights. For stratified groups improvements are obtained, by using a Hardy-type inequality. Some of the results involve refined estimates in terms of real interpolation spaces and are valid in an abstract setting. Even for the commutative group ?^N some new classes of partial differential operators are treated.     

The mean of the running maximum of an integrated Gauss–Markov process and the connection with its first-passage time

We find explicit formulae for the mean of the running maximum of conditional and unconditional Brownian motion; they are used to obtain the mean, a(t), of the running maximum of an integrated Gauss–Markov process. Then, we deal with the connection between the moments of its first-passage-time and a(t). As explicit examples, we consider integrated Brownian motion and integrated Ornstein–Uhlenbeck process.     

A unifying theory of exactness of linear penalty functions II: parametric penalty functions

In this article, we develop a general theory of exact parametric penalty functions for constrained optimization problems. The main advantage of the method of parametric penalty functions is the fact that a parametric penalty function can be both smooth and exact unlike the standard (i.e. non-parametric) exact penalty functions that are always nonsmooth. We obtain several necessary and/or sufficient conditions for the exactness of parametric penalty functions, and for the zero duality gap property to hold true for these functions. We also prove some convergence results for the method of parametric penalty functions, and derive necessary and sufficient conditions for a parametric penalty function to not have any stationary points outside the set of feasible points of the constrained optimization problem under consideration. In the second part of the paper, we apply the general theory of exact parametric penalty functions to a class of parametric penalty functions introduced by Huyer and Neumaier, and to smoothing approximations of nonsmooth exact penalty functions. The general approach adopted in this article allowed us to unify and significantly sharpen many existing results on parametric penalty functions.     

一类非线性椭圆方程的刘维尔型定理

设（Mⁿ,g）是一个n维非紧的完备黎曼流行.本文考虑有正解的非线性椭圆方程△_fu+au log u=0的刘维尔型定理,其中a是一个非零常数.利用Bochner公式和极大值原理,获得了以上方程在Bakry-Emery里奇曲率有下界时正解的Li-Yau型梯度估计和某些有关的刘维尔理论,推广了文献[7]的结果.     

Some closed form robust moment‐based estimators for the MEM(1,1)

In this paper, we extend the closed form moment estimator (ordinary MCFE) for the autoregressive conditional duration model given by Lu et al (2016) and propose some closed form robust moment‐based estimators for the multiplicative error model to deal with the additive and innovational outliers. The robustification of the closed form estimator is done by replacing the sample mean and sample autocorrelation with some robust estimators. These estimators are more robust than the quasi‐maximum likelihood estimator (QMLE) often used to estimate this model, and they are easy to implement and do not require the use of any numerical optimization procedure and the choice of initial value. The performance of our proposal in estimating the parameters and forecasting conditional mean μ_t of the MEM(1,1) process is compared with the proposals existing in the literature via Monte Carlo experiments, and the results of these experiments show that our proposal outperforms the ordinary MCFE, QMLE, and least absolute deviation estimator in the presence of outliers in general. Finally, we fit the price durations of IBM stock with the robust closed form estimators and the benchmarks and analyze their performances in estimating model parameters and forecasting the irregularly spaced intraday Value at Risk.     

Mind the correct basis set: A case study for predicting gas phase acidities of small compounds using calculations from first principles

Some of the most popular computational methods have been utilized to determine a dependency of the acidity trend of the first‐row hydrides on a choice of basis set. For about three decades, methyl anion ( ) was known as the strongest base but after Tian et al. were able to produce the gas phase lithium monoxide anion (LiO–) they discovered it was a stronger base than (Tian et al., Proc Natl Acad Soc USA 2008, 105, 7647). Furthermore, the authors confirmed their experimental results using high‐level ab initio methods, namely W1 and W2C composite methods, as well as complete active space‐averaged quadratic coupled cluster and Brueckner Doubles with triple excitation contribution (BD(T)) within the aug‐cc‐pVQZ basis set. These methods are highly demanding in terms of the computational effort as well as a level of expertise needed from the user to correctly conduct such calculations. We have shown that the proper acidity trend, that is, , can be obtained with less expensive, ”black‐box” type methods if only the basis set is properly chosen. Our results prove that the diffuse augmented basis sets are absolutely necessary for appropriate predictions of acidities. Our calculations show that the correct order of is achieved by augmenting relatively small cc‐pVXZ (X = D,T) basis sets. A similar effect is observed for the family of Pople's basis sets. Our estimate for with CCSD(T)/aug‐cc‐pVTZ was 423.8 kcal/mol, which agrees very well with the experimental value 425.7 ± 6.1 kcal/mol. An important finding is that the proper acidity trend may be reversed if the basis sets are not correctly selected. © 2014 Wiley Periodicals, Inc.     

弹性力学混合状态方程的小波解法

应用小波理论求解弹性力学混合状态方程，讨论了解的收敛性。从文中的数值算例不难看出，该方法不失为混合状态方程一种新的求解途径。