Truncated Newton method for sparse unconstrained optimization using automatic differentiation

When solving large complex optimization problems, the user is faced with three major problems. These are (i) the cost in human time in obtaining accurate expressions for the derivatives involved; (ii) the need to store second derivative information; and (iii), of lessening importance, the time taken to solve the problem on the computer. For many problems, a significant part of the latter can be attributed to solving Newton-like equations. In the algorithm described, the equations are solved using a conjugate direction method that only needs the Hessian at the current point when it is multiplied by a trial vector. In this paper, we present a method that finds this product using automatic differentiation while only requiring vector storage. The method takes advantage of any sparsity in the Hessian matrix and computes exact derivatives. It avoids the complexity of symbolic differentiation, the inaccuracy of numerical differentiation, the labor of finding analytic derivatives, and the need for matrix store. When far from a minimum, an accurate solution to the Newton equations is not justified, so an approximate solution is obtained by using a version of Dembo and Steihaug's truncated Newton algorithm (Ref. 1).This paper was presented at the SIAM National Meeting, Boston, Massachusetts, 1986.     

Dubrovin valuation rings and Henselization

Supported in part by the National Science Foundation     

Some experiences in controlling contamination of environmental materials during sampling and processing for low-level actinide analysis

Selected experiences in the control of contamination and the threat it poses to the quality of analytical date are discussed in the context of the whole analytical process from collection of marine environmental samples, through handling and radiochemical separation, to the final interpretation of results. Examples include a demonstration of the contamination introduced during sediment core sectioning, contamination of sea water by a ship's pumping system, and the effect of filtration on the apparent partitioning of radionuclides between solid and liquid phases of sea water.     

Capillary Electrophoresis Chiral Separation for Enantiomeric Purity Determination of a Basic Drug in Pharmaceutical Formulations

Capillary electrophoresis using a running buffer composed of β-cyclodextrin as the chiral selector and ethanolamine mesylate at pH 9.6 is being used to monitor the stereochemical stability of a hydrophobic drug, containing two chiral centers, in two different formulated self-emulsifying drug delivery system (SEDDS) products. The separation takes place in less than 25 min. Strategies for enhancing the method reproducibility and detection sensitivity in the lower potency formulation are presented. The results demonstrating the specificity, assay precision, recovery, linearity and range achieved during the method validation experiments are presented in this paper.Presented at: CE in the Biotechnology and Pharmaceutical Industries: 7th Symposium on the Practical Applications for the Analysis of Proteins, Nucleotides and Small Molecules, Montreal, Canada, August 12–16, 2005.     

Finding the response matrix to the external action from a subspace for a discrete linear stochastic dynamical system

For a discrete linear stochastic dynamical system, computation of the response matrix to the external action from a subspace using given observational data is examined. An algorithm is proposed and substantiated that makes it possible to improve the numerical accuracy and to reduce the amount of observational data compared to the general case where an arbitrary external action is allowed. As an illustration, a discrete system arising in the analysis of a linear stochastic dynamical continuous-time system is considered more thoroughly. Some numerical results are presented.     

Global fit analysis including the ν9 + ν4 − ν4 hot band of ethane: Evidence of an interaction with the ν12 fundamental

The ν₉ fundamental band of ethane occurs in the 12 μm region. It is the strongest band of ethane in a terrestrial window and is commonly used for the identification of ethane in the Jovian planets. The ν₉ + ν₄ − ν₄ band occurs in the same region; neither can be analysed as an isolated band, since both are embedded in the torsional bath of the ground vibrational state. We report here two global fit models including data from both of these bands as well as the ν₃ fundamental and the ν₄, 2ν₄ − ν₄, and 3ν₄ torsional transitions. The first is restricted to −5 ? KΔK ? 15 in the hot band and gives an excellent fit to the included data. Three resonant interactions are identified in this fit—a Coriolis interaction with two resonant cases between the ν₉ torsional stack and that of the ground vibrational state (gs) and a resonant Fermi interaction between the ν₃ fundamental and the gs. Hot band lines with KΔK < −5 are influenced by a fourth perturbation, with a crossing at −11 < KΔK < −10, which has been attributed to an interaction with the ν₁₂ fundamental. A second fit, demonstrating a promising treatment of this interaction, is also presented.     

Fluorescence and absorption of polystyrene exposed to UV laser radiation

We show that when polystyrene is exposed (for 15–60 sec) to a UV laser light beam (λ = 248 nm), its absorption and luminescent properties change significantly. In the irradiated polymer, optical centers are formed with absorption bands in the 280–460 nm region and fluorescence bands in the 330–520 nm region. We have established the chemical structure of the optical centers for fluorescence of polystyrene. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 1, pp. 54–58, January–February, 2006.     

Towards a general solution of the Hamiltonian constraints of General Relativity

The present work has a double aim. On the one hand, we call attention on the relationship existing between the Ashtekar formalism and other gauge-theoretical approaches to gravity, in particular the Poincaré Gauge Theory. On the other hand, we study two kinds of solutions for the constraints of General Relativity, consisting of two mutually independent parts, namely a general three-metric-dependent contribution to the extrinsic curvature K _ab in terms of the Cotton–York tensor, and besides it further metric independent contributions, which we analyze in particular in the presence of isotropic three-metrics.     

Observation of the neutron radiative decay

The aim of this work is the experimental observation of and research into a rare neutron mode, the radiative beta decay, where a new particle, the radiative gamma quantum, is formed along with the expected decay products: a beta electron, a recoil proton, and an antineutrino. The discovery of this rare neutron decay mode was conducted through identification of triple-coincidence events: simultaneous registration of a beta electron, a proton, and a radiative gamma quantum. The ordinary neutron decay was registered by double coincidences of a beta electron and a recoil proton. The statistics collected allow one to deduce the branching ratio (BR) BR = (3.2 ± 1.6) × 10⁻³ (90% C.L.) in the gamma energy region greater than 35 keV. This value of BR is consistent with standard electroweak theory. The text was submitted by the authors in English. An erratum to this article is available at .