Tandem Use of Optical Sensing and Machine Learning for the Determination of Absolute Configuration,Enantiomeric and Diastereomeric Ratios,and Concentration of Chiral Samples

We have developed an optical method for accurate concentration, er, and dr analysis of amino alcohols based on a simple mix‐and‐measure workflow that is fully adaptable to multiwell plate technology and microscale analysis. The conversion of the four aminoindanol stereoisomers with salicylaldehyde to the corresponding Schiff base allows analysis of the dr based on a change in the UV maximum at 420 nm that is very different for the homo‐ and heterochiral diastereomers and of the concentration of the sample using a hypsochromic shift of another absorption band around 340 nm that is independent of the analyte stereochemistry. Subsequent in situ formation of Cu^II assemblies in the absence and presence of base enables quantification of the er values for each diastereomeric pair by CD analysis. Applying a linear programming method and a parameter sweep algorithm, we determined the concentration and relative amounts of each of the four stereoisomers in 20 samples of vastly different stereoisomeric compositions with an averaged absolute percent error of 1.7 %.     

Search for carbon stars and DZ white dwarfs in SDSS spectra survey through machine learning

Carbon stars and DZ white dwarfs are two types of rare objects in the Galaxy.In this paper,we have applied the label propagation algorithm to search for these two types of stars from Data Release Eight(DR8)of the Sloan Digital Sky Survey(SDSS),which is verified to be efcient by calculating precision and recall.From nearly two million spectra including stars,galaxies and QSOs,we have found 260 new carbon stars in which 96 stars have been identified as dwarfs and 7 identified as giants,and 11 composition spectrum systems(each of them consists of a white dwarf and a carbon star).Similarly,using the label propagation method,we have obtained 29 new DZ white dwarfs from SDSS DR8.Compared with PCA reconstructed spectra,the 29 findings are typical DZ white dwarfs.We have also investigated their proper motions by comparing them with proper motion distribution of 9,374 white dwarfs,and found that they satisfy the current observed white dwarfs by SDSS generally have large proper motions.In addition,we have estimated their efective temperatures by fitting the polynomial relationship between efective temperature and g-r color of known DZ white dwarfs,and found 12 of the 29 new DZ white dwarfs are cool,in which nine are between 6,000 K and 6,600 K,and three are below 6,000 K.     

SHAH: SHape-Adaptive Haar Wavelets for Image Processing

We propose the shape-adaptive Haar (SHAH) transform for images, which results in an orthonormal, adaptive decomposition of the image into Haar-wavelet-like components, arranged hierarchically according to decreasing importance, whose shapes reflect the features present in the image. The decomposition is as sparse as it can be for piecewise-constant images. It is performed via a stepwise bottom-up algorithm with quadratic computational complexity; however, nearly linear variants also exist. SHAH is rapidly invertible. We show how to use SHAH for image denoising. Having performed the SHAH transform, the coefficients are hard- or soft-thresholded, and the inverse transform taken. The SHAH image denoising algorithm compares favorably to the state of the art for piecewise-constant images. A clear asset of the methodology is its very general scope: it can be used with any images or more generally with any data that can be represented as graphs or networks.     

Machine learning identification of symmetrized base states of Rydberg atoms

Studying the complex quantum dynamics of interacting many-body systems is one of the most challenging areas in modern physics. Here, we use machine learning (ML) models to identify the symmetrized base states of interacting Rydberg atoms of various atom numbers (up to six) and geometric configurations. To obtain the data set for training the ML classifiers, we generate Rydberg excitation probability profiles that simulate experimental data by utilizing Lindblad equations that incorporate laser intensities and phase noise. Then, we classify the data sets using support vector machines (SVMs) and random forest classifiers (RFCs). With these ML models, we achieve high accuracy of up to 100% for data sets containing only a few hundred samples, especially for the closed atom configurations such as the pentagonal (five atoms) and hexagonal (six atoms) systems. The results demonstrate that computationally cost-effective ML models can be used in the identification of Rydberg atom configurations.     

Fault Diagnosis of Rolling Bearings Based on WPE by Wavelet Decomposition and ELM

The fault diagnosis classification method based on wavelet decomposition and weighted permutation entropy (WPE) by the extreme learning machine (ELM) is proposed to address the complexity and non-smoothness of rolling bearing vibration signals. The wavelet decomposition based on ‘db3’ is used to decompose the signal into four layers and extract the approximate and detailed components, respectively. Then, the WPE values of the approximate (CA) and detailed (CD) components of each layer are calculated and composed to be the feature vectors, which are finally fed into the extreme learning machine with optimal parameters for classification. The comparative study of the simulations based on WPE and permutation entropy (PE) shows that the classification method of seven kinds of signals of normal bearing signals and six types of fault states (7 mils and 14 mils) based on WPE (CA, CD) with the number of nodes in the hidden layers of ELM determined by the five-fold cross-validation has the best performances, the training accuracy can reach 100%, and the testing accuracy can reach 98.57% with 37 nodes of the hidden layer by ELM. The proposed method using WPE (CA, CD) by ELM provides guidance for the multi-classification of normal bearing signals.     

Mathematics learning support and engagement in first year engineering

This paper considers the effects of both free optional mathematics learning support and engagement on the mathematics performance in a foundation mathematics subject of a cohort of engineering students entering university with poor mathematical skills. New engineering students were directed to either a foundation or standard mathematics subject based on the results of a placement test. For students in the foundation subject, it was found that high levels of learning support were associated with greater improvement over the semester. Some form of learning support was used by 57.9% of the students, a reasonably high proportion of the cohort. Some factors for this high level of use of learning support are considered. One possible factor, the placement test, appears to have had a positive effect. Engagement in the subject activities as measured by tutorial attendance and learning management system use was found to have a positive association with final mark. Students who utilized a high level of learning support were more likely to be more engaged with the subject, making it impossible to draw conclusions about improvements being solely due to the use of learning support.     

Gaussian kernel approximation algorithm for feedforward neural network design

A Gaussian kernel approximation algorithm for a feedforward neural network is presented. The approach used by the algorithm, which is based on a constructive learning algorithm, is to create the hidden units directly so that automatic design of the architecture of neural networks can be carried out. The algorithm is defined using the linear summation of input patterns and their randomized input weights. Hidden-layer nodes are defined so as to partition the input space into homogeneous regions, where each region contains patterns belonging to the same class. The largest region is used to define the center of the corresponding Gaussian hidden nodes. The algorithm is tested on three benchmark data sets of different dimensionality and sample sizes to compare the approach presented here with other algorithms. Real medical diagnoses and a biological classification of mushrooms are used to illustrate the performance of the algorithm. These results confirm the effectiveness of the proposed algorithm.     

A correlative classifiers approach based on particle filter and sample set for tracking occluded target

Target tracking is one of the most important issues in computer vision and has been applied in many fields of science, engineering and industry. Because of the occlusion during tracking, typical approaches with single classifier learn much of occluding background information which results in the decrease of tracking performance, and eventually lead to the failure of the tracking algorithm. This paper presents a new correlative classifiers approach to address the above problem. Our idea is to derive a group of correlative classifiers based on sample set method. Then we propose strategy to establish the classifiers and to query the suitable classifiers for the next frame tracking. In order to deal with nonlinear problem, particle filter is adopted and integrated with sample set method. For choosing the target from candidate particles, we define a similarity measurement between particles and sample set. The proposed sample set method includes the following steps. First, we cropped positive samples set around the target and negative samples set far away from the target. Second, we extracted average Haar-like feature from these samples and calculate their statistical characteristic which represents the target model. Third, we define the similarity measurement based on the statistical characteristic of these two sets to judge the similarity between candidate particles and target model. Finally, we choose the largest similarity score particle as the target in the new frame. A number of experiments show the robustness and efficiency of the proposed approach when compared with other state-of-the-art trackers.