Efficient Computation of the Nonlinear Schrödinger Equation with Time-Dependent Coefficients

open access articleMotivated by the limited work performed on the development of computational techniques for solving the nonlinear Schrödinger equation with time-dependent coefficients, we develop a modified Runge-Kutta pair with improved periodicity and stability characteristics. Additionally, we develop a modified step size control algorithm, which increases the efficiency of our pair and all other pairs included in the numerical experiments. The numerical results on the nonlinear Schrödinger equation with periodic solution verified the superiority of the new algorithm in terms of efficiency. The new method also presents a good behaviour of the maximum absolute error and the global norm in time, even after a high number of oscillations

Assessing the perceived realism of agent grouping dynamics for adaptation and simulation

Virtual crowds are a prominent feature for a range of applications; from simulations for cultural heritage, to interactive elements in video games. A body of existing research seeks to develop and improve algorithms for crowd simulation, typically with a goal of achieving more realistic behaviours. For applications targeting human interaction however, what is judged as realistic crowd behaviour can be subjective, leading to situations where actual crowd data is not always perceived to be more real than simulation, making it difficult to identify a ground truth. We present a novel method using psychophysics to assess the perceived realism of behavioural features with respect to virtual crowds. In this instance, a focus is given to the grouping dynamics feature, whereby crowd composition in terms of group frequency and density is evaluated through thirty-six conditions based on crowd data captured from three pedestrianised real-world locations. The study, conducted with seventy-eight healthy participants, allowed for the calculation of perceptual thresholds, with configurations identified that appear most real to human viewers. The majority of these configurations correlate with the values extracted from the crowd data, with results suggesting that viewers have more perceptual flexibility when group frequency and density are increased, rather than decreased.</p

Concomitant orbital and intracranial abscess: A rare complication of sinusitis

Background:&nbsp; Intracranial and orbital abscesses in combination together are rare complications of sinusitis. They can be life-threatening and can result in multiple sequelae. Case presentation: A 9-year-old female presented with left periorbital swelling, gaze restriction and headache. Following scans, she underwent emergency endoscopic sinus surgery, evacuation of the intraorbital empyema and stereotactic mini-craniectomy with the evacuation of the extradural empyema as a joint case. The patient recovered well and was discharged to complete intravenous antibiotics for 6 weeks. Conclusion: In the pediatric population intracranial complications of acute sinusitis can have more devastating consequences. Therefore prompt recognition and management are essential within a multidisciplinary team setting. We also highlight the rarity of concomitant multi-site abscess formation and the need to be vigilant for same

Corrosion Protection Properties of Various Ligand Modified Organic Inorganic Hybrid Coating on AA 2024-T3

The inclusion of zirconium precursors to prepare organosilane solgel coatings improves the corrosion protection performance of the coatings on aluminium and steel. The inherent differences in the hydrolysis rates of the silane and zirconium precursors, various ligands were used to control the hydrolysis by decreasing the number of reactive alkoxide group. Hybrid sols were synthesised using 3-(trimethoxysilyl) propylmethacrylate (MAPTMS) and zirconium n-propoxide chelated with organic ligands including different organic acids, acetyl acetone and 2 2’ bipyridyl. The effects of zirconia inclusion on the properties of the coatings were compared on the aerospace alloy AA 2024-T3. Electrochemical analysis and salt spray exposure characterized the corrosion protective properties. The results indicate that acid chelated systems possess better corrosion protection when compared to the other ligands, due to smaller zirconium nanoparticles being formed. In particular superior performance was displayed by the coatings involving 3,4 diaminobenzoic acid (DABA) due to inherent anticorrosive properties

An integrated approach for mixture analysis using MS and NMR techniques

The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.We suggest an improved software pipeline for mixture analysis. The improvements include combining tandem MS and 2D NMR data for a reliable identification of its constituents in an algorithm based on network analysis aiming for a robust and reliable identification routine. An important part of this pipeline is the use of open-data repositories, although it is not totally reliant on them. The NMR identification step emphasizes robustness and is less sensitive towards changes in data acquisition and processing than existing methods. The process starts with a LC-ESI-MSMS based molecular network dereplication using data from the GNPS collaborative collection. We identify closely related structures by propagating structure elucidation through edges in the network. Those identified compounds are added on top of a candidate list for the following NMR filtering method that predicts HSQC and HMBC NMR data. The similarity of the predicted spectra of the set of closely related structures to the measured spectra of the mixture sample is taken as one indication of the most likely candidates for its compounds. The other indication is the match of the spectra to clusters built by a network analysis from the spectra of the mixture. The sensitivity gap between NMR and MS is anticipated and it will be reflected naturally by the eventual identification of fewer compounds, but with a higher confidence level, after the NMR analysis step. The contributions of the paper are an algorithm combining MS and NMR spectroscopy and a robust nJCH network analysis to explore the complementary aspect of both techniques. This delivers good results even if a perfect computational separation of the compounds in the mixture is not possible. All the scripts will be made available online for users to aid studies such as with plants, marine organisms, and microorganism natural product chemistry and metabolomics as those are the driving force for this project

A Neural Network for Interpolating Light-Sources

This study combines two novel deterministic methods with a Convolutional Neural Network to develop a machine learning method that is aware of directionality of light in images. The first method detects shadows in terrestrial images by using a sliding-window algorithm that extracts specific hue and value features in an image. The second method interpolates light-sources by utilising a line-algorithm, which detects the direction of light sources in the image. Both of these methods are single-image solutions and employ deterministic methods to calculate the values from the image alone, without the need for illumination-models. They extract real-time geometry from the light source in an image, rather than mapping an illumination-model onto the image, which are the only models used today. Finally, those outputs are used to train a Convolutional Neural Network. This displays greater accuracy than previous methods for shadow detection and can predict light source-direction and thus orientation accurately, which is a considerable innovation for an unsupervised CNN. It is significantly faster than the deterministic methods. We also present a reference dataset for the problem of shadow and light direction detection. © 2020 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works

Identifying Parkinson’s Disease Through the Classification of Audio Recording Data

Developments in artificial intelligence can be leveraged to support the diagnosis of degenerative disorders, such as epilepsy and Parkinson’s disease. This study aims to provide a software solution, focused initially towards Parkinson’s disease, which can positively impact medical practice surrounding degenerative diagnoses. Through the use of a dataset containing numerical data representing acoustic features extracted from an audio recording of an individual, it is determined if a neural approach can provide an improvement over previous results in the area. This is achieved through the implementation of a feedforward neural network and a layer recurrent neural network. By comparison with the state-of-the-art, a Bayesian approach providing a classification accuracy benchmark of 87.1%, it is found that the implemented neural networks are capable of average accuracy of 96%, highlighting improved accuracy for the classification process. The solution is capable of supporting the diagnosis of Parkinson’s disease in an advisory capacity and is envisioned to inform the process of referral through general practice

Direct deduction of chemical class from NMR spectra

This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without doing structure elucidation. This can help to reduce time in finding good structure candidates, as in most cases matching must be done by a human engineer, or at the very least a process for matching must be meaningfully interpreted by one. Therefore, for a long time automation in the area of NMR has been actively sought. The method identified as suitable for the classification is a convolutional neural network (CNN). Other methods, including clustering and image registration, have not been found suitable for the task in a comparative analysis. The result shows that deep learning can offer solutions to automation problems in cheminformatics.Comment: 8 pages, 1 figure, 4 table