Breathers and thermal relaxation as a temporal process: A possible way to detect breathers in experimental situations

Breather stability and longevity in thermally relaxing nonlinear arrays is investigated under the scrutiny of the analysis and tools employed for time series and state reconstruction of a dynamical system. We briefly review the methods used in the analysis and characterize a breather in terms of the results obtained with such methods. Our present work focuses on spontaneously appearing breathers in thermal Fermi-Pasta-Ulam arrays but we believe that the conclusions are general enough to describe many other related situations; the particular case described in detail is presented as another example of systems where three incommensurable frequencies dominate their chaotic dynamics (reminiscent of the Ruelle-Takens scenario for the appearance of chaotic behavior in nonlinear systems). This characterization may also be of great help for the discovery of breathers in experimental situations where the temporal evolution of a local variable (like the site energy) is the only available/measured data. © 2005 American Institute of Physics.

Fourier analysis and gabor filtering for texture analysis and local reconstruction of general shapes

Since the pioneering work of Gibson in 1950, Shape- From-Texture has been considered by researchers as a hard problem, mainly due to restrictive assumptions which often limit its applicability. We assume a very general stochastic homogeneity and perspective camera model, for both deterministic and stochastic textures. A multi-scale distortion is efficiently estimated with a previously presented method based on Fourier analysis and Gabor filters. The novel 3D reconstruction method that we propose applies to general shapes, and includes non-developable and extensive surfaces. Our algorithm is accurate, robust and compares favorably to the present state of the art of Shape-From- Texture. Results show its application to non-invasively study shape changes with laid-on textures, while rendering and retexturing of cloth is suggested for future work. © 2009 IEEE.

Syllable language models for Mandarin speech recognition: exploiting character language models.

Mandarin Chinese is based on characters which are syllabic in nature and morphological in meaning. All spoken languages have syllabiotactic rules which govern the construction of syllables and their allowed sequences. These constraints are not as restrictive as those learned from word sequences, but they can provide additional useful linguistic information. Hence, it is possible to improve speech recognition performance by appropriately combining these two types of constraints. For the Chinese language considered in this paper, character level language models (LMs) can be used as a first level approximation to allowed syllable sequences. To test this idea, word and character level n-gram LMs were trained on 2.8 billion words (equivalent to 4.3 billion characters) of texts from a wide collection of text sources. Both hypothesis and model based combination techniques were investigated to combine word and character level LMs. Significant character error rate reductions up to 7.3% relative were obtained on a state-of-the-art Mandarin Chinese broadcast audio recognition task using an adapted history dependent multi-level LM that performs a log-linearly combination of character and word level LMs. This supports the hypothesis that character or syllable sequence models are useful for improving Mandarin speech recognition performance.

Aromaticity on the fly: cyclic transition state stabilization at finite temperature.

We study the transition state of pericyclic reactions at elevated temperature with unbiased ab initio molecular dynamics. We find that the transition state of the intramolecular rearrangements for barbaralane and bullvalene remains aromatic at high temperature despite the significant thermal atomic motions. Structural, magnetic, and electronic properties of the dynamical transition state show the concertedness and aromatic character. Free-energy calculations also support the validity of the transition state theory for the present rearrangement reactions. The calculations demonstrate that cyclic delocalization represents a strong force to synchronize the thermal atomic motions even at high temperatures.

Free energy surface reconstruction from umbrella samples using Gaussian process regression

We demonstrate how the Gaussian process regression approach can be used to efficiently reconstruct free energy surfaces from umbrella sampling simulations. By making a prior assumption of smoothness and taking account of the sampling noise in a consistent fashion, we achieve a significant improvement in accuracy over the state of the art in two or more dimensions or, equivalently, a significant cost reduction to obtain the free energy surface within a prescribed tolerance in both regimes of spatially sparse data and short sampling trajectories. Stemming from its Bayesian interpretation the method provides meaningful error bars without significant additional computation. A software implementation is made available on www.libatoms.org.

Network reconstruction using knock-out and over-expression data

This paper outlines necessary and sufficient conditions for network reconstruction of linear, time-invariant systems using data from either knock-out or over-expression experiments. These structural system perturbations, which are common in biological experiments, can be formulated as unknown system inputs, allowing the network topology and dynamics to be found. We assume that only partial state measurements are available and propose an algorithm that can reconstruct the network at the level of the measured states using either time-series or steady-state data. A simulated example illustrates how the algorithm successfully reconstructs a network from data. © 2013 EUCA.