A Metropolis Monte Carlo Implementation of Bayesian Time-Domain Parameter Estimation: Application to Coupling Constant Estimation from Antiphase Multiplets

The Bayesian perspective on statistics asserts that it makes sense to speak of a probability of an unknown parameter having a particular value. Given a model for an observed, noise-corrupted signal, we may use Bayesian methods to estimate not only the most probable value for each parameter but also their distributions. We present an implementation of the Bayesian parameter estimation formalism developed by G. L. Bretthorst (1990,J. Magn. Reson.88, 533) using the Metropolis Monte Carlo sampling algorithm to perform the parameter and error estimation. This allows us to make very few assumptions about the shape of the posterior distribution, and allows the easy introduction of prior knowledge about constraints among the model parameters. We present evidence that the error estimates obtained in this manner are realistic, and that the Monte Carlo approach can be used to accurately estimate coupling constants from antiphase doublets in synthetic and experimental data.     

Separation and Enrichment of the Active Component of Carbon Based Paramagnetic Materials for Use in EPR Oximetry

Carbon based paramagnetic materials are frequently used for EPR oximetry, especiallyin vivo,but the EPR spectra of these materials often have more than one paramagnetic center and/or relatively low signal intensity. To determine whether the multi-components of carbon based materials could be separated and enriched in the active component, we used density gradient centrifugation to separate the materials into several fractions. We studied two types of coals, gloxy and Pocahontas, and found these materials to have large density distribution. The separated density fractions had very different EPR spectra and intensities. The active component from the coal material had a more homogeneous EPR signal and significantly increased EPR signal intensity, whereas for India ink, only slight changes were observed. This result can be very useful in the development of better probes for EPR oximetry.     

Fast neighborhood search for the single machine total weighted tardiness problem

Most successful heuristics for solving 1||∑w_jT_j are based on swap moves. We present an algorithm which improves the complexity of searching the swap neighborhood from O(n³) to O(n²). We show that this result also improves the complexity of the recently developed dynasearch heuristics.     

A remark on the mild solutions of non-local evolution equations

We provide a counterexample to some recent publications concerning the existence of the mild solutions of the non-local evolution equations, and indicate that in the study of the non-local evolution equations, the operators from which the mild solutions may be derived are in general not compact, thus those fixed point theorems requiring the compactness of the operators are not applicable.     

Glafka 2004: Generalizing Quantum Mechanics for Quantum Gravity

Familiar quantum mechanics assumes a fixed spacetime geometry. Quantummechanics must therefore be generalized for quantum gravity where spacetime geometry is not fixed but rather a quantum variable. This extended abstract sketches a fully fourdimensional generalized quantum mechnics of cosmological spacetime geometries that is one such generalization.This contribution to the proceedings of the Glafka Conference is an extended abstract of the author's talk there. More details can be found in the references cited at the end of the abstract expecially (Hartle, 1995).     

On fundamental groups of compact Hausdorff spaces

We discuss which groups can be realized as the fundamental groups of compact Hausdorff spaces. In particular, we prove that the claim ``every group can be realized as the fundamental group of a compact Hausdorff space' is consistent with the Zermelo-Fraenkel-Choice set theory.

     

Meshless simulation of equilibrium swelling/deswelling of pH‐sensitive hydrogels

Hydrogels have been widely used in microelectromechanical systems (MEMS) and Bio‐MEMS devices. In this article, the equilibrium swelling/deswelling of the pH‐stimulus cylindrical hydrogel in the microchannel is studied and simulated by the meshless method. The multi‐field coupling model, called multi‐effect‐coupling pH‐stimulus (MECpH) model, is presented and used to describe the chemical field, electric field, and the mechanical field involved in the problem. The partial differential equations (PDEs) describing these three fields are either nonlinear or coupled together. This multi‐field coupling and high nonlinear characteristics produce difficulties for the conventional numerical methods (e.g., the finite element method or the finite difference method), so an alternative—meshless method is developed to discretize the PDEs, and the efficient iteration technique is adopted to solve the nonlinear problem. The computational results for the swelling/deswelling diameter of the hydrogel under the different pH values are firstly compared with experimental results, and they have a good agreement. The influences of other parameters on the mechanical properties of the hydrogel are also investigated in detail. It is shown that the multi‐field coupling model and the developed meshless method are efficient, stable, and accurate for simulation of the properties of the stimuli‐sensitive hydrogel. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 326–337, 2006     

Recent trends and open issues in reverse engineering

This paper discusses recent trends in the field of reverse engineering, particularly those highlighted at the Second Working Conference on Reverse Engineering, held in July 1995. The trends observed include increased orientation toward tasks, grounding in complex real-world applications, guidance from empirical study, analysis of non-code sources, and increased formalization. The paper also summarizes open research issues and provides pointers to future events and sources of information in this area.