An assessment of neural network and statistical approaches for prediction of E. coli promoter sites.

We have constructed a perceptron type neural network for E. coli promoter prediction and improved its ability to generalize with a new technique for selecting the sequence features shown during training. We have also reconstructed five previous prediction methods and compared the effectiveness of those methods and our neural network. Surprisingly, the simple statistical method of Mulligan et al. performed the best amongst the previous methods. Our neural network was comparable to Mulligan's method when false positives were kept low and better than Mulligan's method when false negatives were kept low. We also showed the correlation between the prediction rates of neural networks achieved by previous researchers and the information content of their data sets.     

Determination of compound aminopyrine phenacetin tablets by using artificial neural networks combined with principal components analysis

A method for simultaneous, nondestructive analysis of aminopyrine and phenacetin in compound aminopyrine phenacetin tablets with different concentrations has been developed by principal component artificial neural networks (PC-ANNs) on near-infrared (NIR) spectroscopy. In PC-ANN models, the spectral data were initially analyzed by principal component analysis. Then the scores of the principal components were chosen as input nodes for the input layer instead of the spectral data. The artificial neural network models using the spectral data as input nodes were also established and compared with the PC-ANN models. Four different preprocessing methods (first-derivative, second-derivative, standard normal variate (SNV), and multiplicative scatter correction) were applied to three sets of NIR spectra of compound aminopyrine phenacetin tablets. The PC-ANNs approach with SNV preprocessing spectra was found to provide the best results. The degree of approximation was performed as the selective criterion of the optimum network parameters.     

Understanding auditory distance estimation by humpback whales: a computational approach

Ranging, the ability to judge the distance to a sound source, depends on the presence of predictable patterns of attenuation. We measured long-range sound propagation in coastal waters to assess whether humpback whales might use frequency degradation cues to range singing whales. Two types of neural networks, a multi-layer and a single-layer perceptron, were trained to classify recorded sounds by distance traveled based on their frequency content. The multi-layer network successfully classified received sounds, demonstrating that the distorting effects of underwater propagation on frequency content provide sufficient cues to estimate source distance. Normalizing received sounds with respect to ambient noise levels increased the accuracy of distance estimates by single-layer perceptrons, indicating that familiarity with background noise can potentially improve a listening whale's ability to range. To assess whether frequency patterns predictive of source distance were likely to be perceived by whales, recordings were pre-processed using a computational model of the humpback whale's peripheral auditory system. Although signals processed with this model contained less information than the original recordings, neural networks trained with these physiologically based representations estimated source distance more accurately, suggesting that listening whales should be able to range singers using distance-dependent changes in frequency content.     

Ozone prediction on the basis of neural networks,support vector regression and methods with uncertainty

The article presents modeling of daily average ozone level prediction by means of neural networks, support vector regression and methods based on uncertainty. Based on data measured by a monitoring station of the Pardubice micro-region, the Czech Republic, and optimization of the number of parameters by a defined objective function and genetic algorithm a model of daily average ozone level prediction in a certain time has been designed. The designed model has been optimized in light of its input parameters. The goal of prediction by various methods was to compare the results of prediction with the aim of various recommendations to micro-regional public administration management. It is modeling by means of feed-forward perceptron type neural networks, time delay neural networks, radial basis function neural networks, ε-support vector regression, fuzzy inference systems and Takagi–Sugeno intuitionistic fuzzy inference systems. Special attention is paid to the adaptation of the Takagi–Sugeno intuitionistic fuzzy inference system and adaptation of fuzzy logic-based systems using evolutionary algorithms. Based on data obtained, the daily average ozone level prediction in a certain time is characterized by a root mean squared error. The best possible results were obtained by means of an ε-support vector regression with polynomial kernel functions and Takagi–Sugeno intuitionistic fuzzy inference systems with adaptation by means of a Kalman filter.     

Heart rate variability dynamics for the prognosis of cardiovascular risk

Statistical, spectral, multi-resolution and non-linear methods were applied to heart rate variability (HRV) series linked with classification schemes for the prognosis of cardiovascular risk. A total of 90 HRV records were analyzed: 45 from healthy subjects and 45 from cardiovascular risk patients. A total of 52 features from all the analysis methods were evaluated using standard two-sample Kolmogorov-Smirnov test (KS-test). The results of the statistical procedure provided input to multi-layer perceptron (MLP) neural networks, radial basis function (RBF) neural networks and support vector machines (SVM) for data classification. These schemes showed high performances with both training and test sets and many combinations of features (with a maximum accuracy of 96.67%). Additionally, there was a strong consideration for breathing frequency as a relevant feature in the HRV analysis.     

Identification of ribosome binding sites in Escherichia coli using neural network models.

This study investigated the use of neural networks in the identification of Escherichia coli ribosome binding sites. The recognition of these sites based on primary sequence data is difficult due to the multiple determinants that define them. Additionally, secondary structure plays a significant role in the determination of the site and this information is difficult to include in the models. Efforts to solve this problem have so far yielded poor results. A new compilation of E. coli ribosome binding sites was generated for this study. Feedforward backpropagation networks were applied to their identification. Perceptrons were also applied, since they have been the previous best method since 1982. Evaluation of performance for all the neural networks and perceptrons was determined by ROC analysis. The neural network provided significant improvement in the recognition of these sites when compared with the previous best method, finding less than half the number of false positives when both models were adjusted to find an equal number of actual sites. The best neural network used an input window of 101 nucleotides and a single hidden layer of 9 units. Both the neural network and the perceptron trained on the new compilation performed better than the original perceptron published by Stormo et al. in 1982.     

Artificial neural networks for species identification by taxonomists

This paper is a study of the value of applying artificial neural networks (ANNs), specifically a multilayer perceptron (MLP), to identification of higher plants using morphological characters collected by conventional means. A practical methodology is thus demonstrated to enable botanical or zoological taxonomists to use ANNs as advisory tools for identification purposes. A comparison is made between the ability of the neural network and that of traditional methods for plant identification by means of a case study in the flowering plant genus Lithops N.E. Brown (Aizoaceae). In particular, a comparison is made with taxonomic keys generated by means of the DELTA system. The ANN is found to perform better than the DELTA key generator, for conditions where the available data is limited, and species relatively difficult to distinguish.     

Multi-scale training of a large backpropagation net

The shortcomings of automatic learning in neural networks can be overcome by incorporating features of the problem into the weight space. We teach a multi-layer perceptron to recognize hand-printed characters by using a multi-scale method. This leads to better performance for learning rates and for generalization than direct use of back-propagation.     

深度学习在药物活性预测研究中的应用

药物从研发到临床应用需要耗费较长的时间，研发期间的投入成本可高达十几亿元。而随着医药研发与人工智能的结合以及生物信息学的飞速发展，药物活性相关数据急剧增加，传统的实验手段进行药物活性预测已经难以满足药物研发的需求。借助算法来辅助药物研发，解决药物研发中的各种问题能够大大推动药物研发进程。传统机器学习方法尤其是随机森林、支持向量机和人工神经网络在药物活性方面能够达到较高的预测精度。深度学习由于具有多层神经网络，模型可以接收高维的输入变量且不需要人工限定数据输入特征，可以拟合较为复杂的函数模型，应用于药物研发可以进一步提高各个环节的效率。在药物活性预测中应用较为广泛的深度学习模型主要是深度神经网络（deep neural networks，DNN）、循环神经网络（recurrent neural networks，RNN）和自编码器（auto encoder，AE），而生成对抗网络（generative adversarial networks，GAN）由于其生成数据的能力常常被用来和其他模型结合进行数据增强。近年来深度学习在药物分子活性预测方面的研究和应用综述表明，深度学习模型的准确度和效率均高于传统实验方法和传统机器学习方法。因此，深度学习模型有望成为药物研发领域未来十年最重要的辅助计算模型。     

Equivalence between "feeling the pulse" on the human wrist and the pulse pressure wave at fingertip

Feeling the pulse on the wrist is the regular diagnostic method in traditional Chinese medicine. However it is natural to ask whether there is any difference between feeling the pulse on the wrist or at any other part of the body: such as the fingertips at which it is easily measured by electronic devices. We employ a series of neural networks to model blood pressure propagation from the wrist to the fingertip. In order to avoid the problem of over-fitting we apply information theoretic criterion to determine the optimal model in these networks and then apply surrogate data method to the residuals in this model. We demonstrate the application of this method to recordings of human pulse in six subjects. Our result indicates that there is no significant difference between pulse waveform measure on the lateral arterial artery (wrist) and at the fingertip.     

Wearable-Sensor-Based Classification Models of Faller Status in Older Adults

Wearable sensors have potential for quantitative, gait-based, point-of-care fall risk assessment that can be easily and quickly implemented in clinical-care and older-adult living environments. This investigation generated models for wearable-sensor based fall-risk classification in older adults and identified the optimal sensor type, location, combination, and modelling method; for walking with and without a cognitive load task. A convenience sample of 100 older individuals (75.5 ± 6.7 years; 76 non-fallers, 24 fallers based on 6 month retrospective fall occurrence) walked 7.62 m under single-task and dual-task conditions while wearing pressure-sensing insoles and tri-axial accelerometers at the head, pelvis, and left and right shanks. Participants also completed the Activities-specific Balance Confidence scale, Community Health Activities Model Program for Seniors questionnaire, six minute walk test, and ranked their fear of falling. Fall risk classification models were assessed for all sensor combinations and three model types: multi-layer perceptron neural network, naïve Bayesian, and support vector machine. The best performing model was a multi-layer perceptron neural network with input parameters from pressure-sensing insoles and head, pelvis, and left shank accelerometers (accuracy = 84%, F1 score = 0.600, MCC score = 0.521). Head sensor-based models had the best performance of the single-sensor models for single-task gait assessment. Single-task gait assessment models outperformed models based on dual-task walking or clinical assessment data. Support vector machines and neural networks were the best modelling technique for fall risk classification. Fall risk classification models developed for point-of-care environments should be developed using support vector machines and neural networks, with a multi-sensor single-task gait assessment.     

Analysis and classification of compressed EMG signals by wavelet transform via alternative neural networks algorithms

We propose intelligent methods for classifying three different muscle types, i.e. biceps, frontallis and abductor pollicis brevis muscles, with low computational complexity. For this aim, electromyogram (EMG) signals are recorded and modelled by using an auto-regressive (AR) model. As the size of the EMG signals is usually large, the computational complexity of artificial neural network (ANN) systems drastically increases. Therefore, in the proposed scheme EMG signals are pre-processed by using a wavelet transform and then they are modelled by employing an AR approach. The AR coefficients are used to train and test the ANNs. Experimental results show that the highest achieved classification accuracy is more than 95% in the case of EMG signals pre-processed by wavelet transform. The wavelet transform-based pre-processing significantly increases the performance rates compared to standard multilayer perceptron and general regression neural networks algorithms.     

Prediction of contact maps with neural networks and correlated mutations.

Contact maps of proteins are predicted with neural network-based methods, using as input codings of increasing complexity including evolutionary information, sequence conservation, correlated mutations and predicted secondary structures. Neural networks are trained on a data set comprising the contact maps of 173 non-homologous proteins as computed from their well resolved three-dimensional structures. Proteins are selected from the Protein Data Bank database provided that they align with at least 15 similar sequences in the corresponding families. The predictors are trained to learn the association rules between the covalent structure of each protein and its contact map with a standard back propagation algorithm and tested on the same protein set with a cross-validation procedure. Our results indicate that the method can assign protein contacts with an average accuracy of 0.21 and with an improvement over a random predictor of a factor >6, which is higher than that previously obtained with methods only based either on neural networks or on correlated mutations. Furthermore, filtering the network outputs with a procedure based on the residue coordination numbers, the accuracy of predictions increases up to 0.25 for all the proteins, with an 8-fold deviation from a random predictor. These scores are the highest reported so far for predicting protein contact maps.     

Prediction of ubiquitin proteins using artificial neural networks, hidden markov model and support vector machines

Ubiquitin functions to regulate protein turnover in a cell by closely regulating the degradation of specific proteins. Such a regulatory role is very important, and thus I have analyzed the proteins that are ubiquitin-like, using an artificial neural network, support vector machines and a hidden Markov model (HMM). The methods were trained and tested on a set of 373 ubiquitin proteins and 373 non-ubiquitin proteins, obtained from Entrez protein database. The artificial neural network and support vector machine are trained and tested using both the physicochemical properties and PSSM matrices generated from PSI-BLAST, while in the HMM based method direct sequences are used for training-testing procedures. Further, the performance measures of the methods are calculated for test sequences, i.e. accuracy, specificity, sensitivity and Matthew's correlation coefficients of the methods are calculated. The highest accuracy of 90.2%, specificity of 87.04% and sensitivity of 94.08% was achieved using the support vector machine model with PSSM matrices. While accuracies of 86.82%, 83.37%, 80.18% and 72.11% were obtained for the support vector machine with physicochemical properties, neural network with PSSM matrices, neural networks with physicochemical properties, and hidden Markov model, respectively. As the accuracy for SVM model is better both using physicochemical properties and the PSSM matrices, it is concluded that kernel methods such as SVM outperforms neural networks and hidden Markov models.     

Neural networks for protein classification

This paper describes a biomolecular classification methodology based on multilayer perceptron neural networks. The system developed is used to classify enzymes found in the Protein Data Bank. The primary goal of classification, here, is to infer the function of an (unknown) enzyme by analysing its structural similarity to a given family of enzymes. A new codification scheme was devised to convert the primary structure of enzymes into a real-valued vector. The system was tested with a different number of neural networks, training set sizes and training epochs. For all experiments, the proposed system achieved a higher accuracy rate when compared with profile hidden Markov models. Results demonstrated the robustness of this approach and the possibility of implementing fast and efficient biomolecular classification using neural networks.     

Neural network training with global optimization techniques

This paper presents an approach of using Simulated Annealing and Tabu Search for the simultaneous optimization of neural network architectures and weights. The problem considered is the odor recognition in an artificial nose. Both methods have produced networks with high classification performance and low complexity. Generalization has been improved by using the backpropagation algorithm for fine tuning. The combination of simple and traditional search methods has shown to be very suitable for generating compact and efficient networks.     

The backpropagation algorithm in J, a fast prototyping tool for researching neural networks

This paper illustrates the use of a powerful language, called J, that is ideal for simulating neural networks. The use of J is demonstrated by its application to a gradient descent method for training a multilayer perceptron. It is also shown how the back-propagation algorithm can be easily generalized to multilayer networks without any increase in complexity and that the algorithm can be completely expressed in an array notation which is directly executable through J. J is a general purpose language, which means that its user is given a flexibility not available in neural network simulators or in software packages such as MATLAB. Yet, because of its numerous operators, J allows a very succinct code to be used, leading to a tremendous decrease in development time.     

Classification of cytological smears of the cervix with neuronal methods]

BACKGROUND: Cytological smears obtained from the cervix are routinely examined under the microscope as part of screening programs for the early detection of cervical cancer. The aim of the present study was to investigate whether a simple feature extraction approach using only standard image processing techniques combined with a neural classifier would lead to acceptable results that might serve as a starting point for the development of a fully automated screening system. MATERIALS AND METHODS: Gray-value images of 106 cervical smears (512 x 512 pixels) divided into two groups--inconspicuous (57) and atypical (49)--by an experienced pathologist on the basis of the original smears were employed to evaluate the method. From these images, 31 features quantifying properties of either the cell nucleus or the cytoplasm were extracted. These features were categorized with three different architectures of a neural classifier: learning vector quantization (LVQ), multilayer perceptron (MLP) and a single perceptron. CONCLUSIONS: The results show a reclassification accuracy of about 91% for all three algorithms. Sensitivity was uniform at approximately 78%, and specificity varied between 75% and 91% in the leave-one-out evaluation. These very good results provide strong encouragement for further studies involving PAP scores and colour images.