Complexity of classical dynamics of molecular systems. I. Methodology

Methods for the calculation of complexity have been investigated as a possible alternative for the analysis of the dynamics of molecular systems. “Computational mechanics” is the approach chosen to describe emergent behavior in molecular systems that evolve in time. A novel algorithm has been developed for symbolization of a continuous physical trajectory of a dynamic system. A method for calculating statistical complexity has been implemented and tested on representative systems. It is shown that the computational mechanics approach is suitable for analyzing the dynamic complexity of molecular systems and offers new insight into the process.

Complexity of classical dynamics of molecular systems. II. Finite statistical complexity of a water-Na+ system

The computational mechanics approach has been applied to the orientational behavior of water molecules in a molecular dynamics simulated water–Na + system. The distinctively different statistical complexity of water molecules in the bulk and in the first solvation shell of the ion is demonstrated. It is shown that the molecules undergo more complex orientational motion when surrounded by other water molecules compared to those constrained by the electric field of the ion. However the spatial coordinates of the oxygen atom shows the opposite complexity behavior in that complexity is higher for the solvation shell molecules. New information about the dynamics of water molecules in the solvation shell is provided that is additional to that given by traditional methods of analysis.

Area summation of first- and second-order modulations of luminance

To extend our understanding of the early visual hierarchy, we investigated the long-range integration of first- and second-order signals in spatial vision. In our first experiment we performed a conventional area summation experiment where we varied the diameter of (a) luminance-modulated (LM) noise and (b) contrastmodulated (CM) noise. Results from the LM condition replicated previous findings with sine-wave gratings in the absence of noise, consistent with long-range integration of signal contrast over space. For CM, the summation function was much shallower than for LM suggesting, at first glance, that the signal integration process was spatially less extensive than for LM. However, an alternative possibility was that the high spatial frequency noise carrier for the CM signal was attenuated by peripheral retina (or cortex), thereby impeding our ability to observe area summation of CM in the conventional way. To test this, we developed the ''Swiss cheese'' stimulus of Meese and Summers (2007) in which signal area can be varied without changing the stimulus diameter, providing some protection against inhomogeneity of the retinal field. Using this technique and a two-component subthreshold summation paradigm we found that (a) CM is spatially integrated over at least five stimulus cycles (possibly more), (b) spatial integration follows square-law signal transduction for both LM and CM and (c) the summing device integrates over spatially-interdigitated LM and CM signals when they are co-oriented, but not when crossoriented. The spatial pooling mechanism that we have identified would be a good candidate component for amodule involved in representing visual textures, including their spatial extent.

Limit Theorems for Regenerative Excursion Processes

This work is supported by Bulgarian NFSI, grant No. MM–704/97

Generalized Variational Inequalities for Upper Hemicontinuous and Demi Operators with Applications to Fixed Point Theorems in Hilbert Spaces

∗ The final version of this paper was sent to the editor when the author was supported by an ARC Small Grant of Dr. E. Tarafdar.

Oscillation Theorems for Perturbed Second Order Nonlinear Differential Equations with Damping

Some oscillation criteria for solutions of a general perturbed second order ordinary differential equation with damping (r(t)x′ (t))′ + h(t)f (x)x′ (t) + ψ(t, x) = H(t, x(t), x′ (t)) with alternating coefficients are given. The results obtained improve and extend some existing results in the literature.

Oscillation Theorems for Second Order Sublinear Ordinary Differential Equations

Oscillation criteria are given for the second order sublinear non-autonomous differential equation. (r(t) (x)x′(t))′ + q(t)g(x(t)) = (t). These criteria extends and improves earlier oscillation criteria of Kamenev, Kura, Philos and Wong. Oscillation criteria are also given for second order sublinear damped non-autonomous differential equations.

Problems and Theorems in the Theory of Multiplier Sequences

The purpose of this paper is (1) to highlight some recent and heretofore unpublished results in the theory of multiplier sequences and (2) to survey some open problems in this area of research. For the sake of clarity of exposition, we have grouped the problems in three subsections, although several of the problems are interrelated. For the reader’s convenience, we have included the pertinent definitions, cited references and related results, and in several instances, elucidated the problems by examples.

RKHS-Methods at Series Summation for Software Implementation

Reproducing Kernel Hilbert Space (RKHS) and Reproducing Transformation Methods for Series Summation that allow analytically obtaining alternative representations for series in the finite form are developed.

Processing of Knowledge about Optimization of Classical Optimizing Transformations

The article describes the structure of an ontology model for Optimization of a sequential program. The components of an intellectual modeling system for program optimization are described. The functions of the intellectual modeling system are defined.

Weighted Theorems on Fractional Integrals in the Generalized Hölder Spaces via Indices mω and Mω

Mathematics Subject Classification: 26A16, 26A33, 46E15.

A Note on a Classical Generating Function for the Jacobi Polynomials

Mathematics Subject Classification: 33C45.

Some Mean-Value Theorems of the Cauchy Type

2000 Mathematics Subject Classification: Primary 26A24, 26D15; Secondary 41A05

Linear binocular combination of responses to contrast modulation:contrast-weighted summation in first- and second-order vision

Binocular combination for first-order (luminancedefined) stimuli has been widely studied, but we know rather little about this binocular process for spatial modulations of contrast (second-order stimuli). We used phase-matching and amplitude-matching tasks to assess binocular combination of second-order phase and modulation depth simultaneously. With fixed modulation in one eye, we found that binocularly perceived phase was shifted, and perceived amplitude increased almost linearly as modulation depth in the other eye increased. At larger disparities, the phase shift was larger and the amplitude change was smaller. The degree of interocular correlation of the carriers had no influence. These results can be explained by an initial extraction of the contrast envelopes before binocular combination (consistent with the lack of dependence on carrier correlation) followed by a weighted linear summation of second-order modulations in which the weights (gains) for each eye are driven by the first-order carrier contrasts as previously found for first-order binocular combination. Perceived modulation depth fell markedly with increasing phase disparity unlike previous findings that perceived first-order contrast was almost independent of phase disparity. We present a simple revision to a widely used interocular gain-control theory that unifies first- and second-order binocular summation with a single principle-contrast-weighted summation-and we further elaborate the model for first-order combination. Conclusion: Second-order combination is controlled by first-order contrast.

Fixed Point Theorems of Kannan Type for Cyclical Contractive Conditions

The main aim of this paper is to obtain fixed point theorems for Kannan and Zamfirescu operators in the presence of cyclical contractive condition. A method for approximation of the fixed points is also provided, for which both a priori and a posteriori error estimates are given. Our results generalize, unify and extend several important fixed points theorems in literature. In order to illustrate the efficiency of our generalizations five significant examples are also given.