A new algorithm for fixed design regression and denoising

In this paper, we present a new algorithm to estimate a regression function in a fixed design regression model, by piecewise (standard and trigonometric) polynomials computed with an automatic choice of the knots of the subdivision and of the degrees of the polynomials on each sub-interval. First we give the theoretical background underlying the method: the theoretical performances of our penalized least-squares estimator are based on non-asymptotic evaluations of a mean-square type risk. Then we explain how the algorithm is built and possibly accelerated (to face the case when the number of observations is great), how the penalty term is chosen and why it contains some constants requiring an empirical calibration. Lastly, a comparison with some well-known or recent wavelet methods is made: this brings out that our algorithm behaves in a very competitive way in term of denoising and of compression.     

激光辐照PC型HgCdTe探测器的实验研究

 分别用连续波1.319μm激光和10.6μm激光辐照PC型HgCdTe红外探测器时，得到了不同辐照光功率密度下，探测器输出的一系列实验结果。给出了在波长为1.319μm的波段内激光辐照下PC型HgCdTe探测器的饱和阈值；用波长为10.6μm的波段外CO₂激光辐照探测器时，发现了一些与波段内激光辐照探测器时大不相同的实验现象；对实验结果进行了分析。简要总结了PC型HgCdTe探测器对于波段内和波段外激光辐照的响应机制。     

Sufficient Stochastic Maximum Principle for the Optimal Control of Jump Diffusions and Applications to Finance

We give a verification theorem by employing Arrow's generalization of the Mangasarian sufficient condition to a general jump diffusion setting and show the connections of adjoint processes to dynamic programming. The result is applied to financial optimization problems.     

A new type SVM-projected SVM

Support vector machine (SVM), developed by Vapnik et al., is a new and promising technique for classification and regression and has been proved to be competitive with the best available learning machines in many applications. However, the classification speed of SVM is substantially slower than that of other techniques with similar generalization ability. A new type SVM named projected SVM (PSVM), which is a combination of feature vector selection (FVS) method and linear SVM (LSVM), is proposed in present paper. In PSVM, the FVS method is first used to select a relevant subset (feature vectors, FVs) from the training data, and then both the training data and the test data are projected into the subspace constructed by FVs, and finally linear SVM(LSVM) is applied to classify the projected data. The time required by PSVM to calculate the class of new samples is proportional to the count of FVs. In most cases, the count of FVs is smaller than that of support vectors (SVs), and therefore PSVM is faster than SVM in running. Compared with other speeding-up techniques of SVM, PSVM is proved to possess not only speeding-up ability but also de-noising ability for high-noised data, and is found to be of potential use in mechanical fault pattern recognition.     

Gradient- and Sensitivity-Enhanced TOCSY Experiments

A pulsed field gradient version of the sensitivity-enhanced 2D TOCSY experiment is proposed which yields high-quality spectra with improved sensitivity and a minimum of two scans pert₁increment. For rapid acquisition of 1D TOCSY spectra, the 1D DPFGSE–TOCSY experiment was modified to include phase-encoded multiple-selective excitation followed by a simple spectral editing. Combination of these two building blocks is used in a sensitivity-enhanced 2D analog of the 3D TOCSY–TOCSY experiment which provides an efficient tool for resolving severely overlapped signals of oligomers in short experimental time.     

Microscopic conditions favoring itinerant ferromagnetism: Hund's rule coupling and orbital degeneracy

The importance of Hund's rule coupling for the stabilization of itinerant ferromagnetism is investigated within a two-band Hubbard model. The magnetic phase diagram is calculated by finite-temperature quantum Monte-Carlo simulations within the dynamical mean-field theory. Ferromagnetism is found in a broad range of electron fillings whereas antiferromagnetism exists only near half filling. The possibility of orbital ordering at quarter filling is also analyzed. Received: 26 February 1998 / Accepted: 17 April 1998     

Entropic criterion for model selection

Model or variable selection is usually achieved through ranking models according to the increasing order of preference. One of methods is applying Kullback–Leibler distance or relative entropy as a selection criterion. Yet that will raise two questions, why use this criterion and are there any other criteria. Besides, conventional approaches require a reference prior, which is usually difficult to get. Following the logic of inductive inference proposed by Caticha [Relative entropy and inductive inference, in: G. Erickson, Y. Zhai (Eds.), Bayesian Inference and Maximum Entropy Methods in Science and Engineering, AIP Conference Proceedings, vol. 707, 2004 (available from arXiv.org/abs/physics/0311093)], we show relative entropy to be a unique criterion, which requires no prior information and can be applied to different fields. We examine this criterion by considering a physical problem, simple fluids, and results are promising.     

几种改进的CoMFA方法比较研究血小板活化因子拮抗剂

由于传统的比较分子场分析(CoMFA)方法本身存在一些缺陷，使得分子的叠合 规则以及叠合分子的空间取向和空间位置等因素对q~2的影响很大，因此相继提出 了几种改进的CoMFA方法。为了优化CoMFA结果，应用传统的CoMFA方法和交叉验证 的R~2引导的区域选择法(q~2-GRS)、全取向搜索法（AOS）、全空间搜索法（APS） 以及比较分子相似性指数(CoMSIA)等四种改进的CoMFA方法，对18个pinusolide类 衍生物这类新发现的血小板活化因子（PAF）拮抗剂进行了比较研究。结果表明四 种改进的CoMFA方法得到的q~2值均比传统CoMFA的高。q~2-GRS方法得到的q~2值有 所提高，但综合结果并不理想，AOS与APS得到的q~2较为理想，而在CoMSIA中， q~2几乎不受空间取向或空间位置的影响。同时我们引人基于样本的偏最小二乘法 （SAMPLS）取代原AOS／APS程序中的传统PLS进行统计分析，明显提高了其运行速 度。最后，根据q~2最高的CoMFA模型和CoMSIA模型设计了几个预测活性更高的 pinusolide类似物。     

Thermal effects and band spreading in capillary electro-separation

Summary Four Capillary Electroseparation methods are distinguished. All have an ultimate efficiency limited only by axial diffusion and are in principle capable of achieving 10⁶ plates in <1 hour.The main limitation to performance arises from Ohmic heating of the electrolyte. While forced convection at 10ms^–1 is recommended to keep tubes cool, the parabolic temperature profile within the electrolyte limits the tube bore which can be used. A simple limiting expression is derived: (d_c/m)³ (E/kV m^–1)³ (c/mol dm^–3) <3.3×10⁹.Values of constants underlined     

Changes in peak width and concentration at the inlet and outlet of a chromatographic column

The original plate model of chromatography is extended to the sorption process occurring at the column inlet and the desorption process at the column exit. At the column inlet it is shown that sufficiently wide feed bands undergo no change in concentration but a fall in band width, i.e., the volume of mobile phase occupied by the solute band is reduced. The reduction factor is (1 + k) where k is the mass distribution ratio (capacity factor). Narrower bands suffer partial reduction in both band width and concentration. On desorption at the outlet, however, the change is always in band width and not concentration. A perfect detector registers the true concentration-time profile of the band in the column if the solute mass fraction in the stationary phase is below 10^?3 at the column outlet. The risks of stripping the stationary phase at high solute concentrations in analytical and preparative or production gas chromatography are compared.