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PubMed2006

2D Autocorrelation modeling of the negative inotropic activity of calcium entry blockers using Bayesian-regularized genetic neural networks.

Negative inotropic potency of 60 benzothiazepine-like calcium entry blockers (CEBs), Diltiazem analogs, was successfully modeled using Bayesian-regularized genetic neural networks (BRGNNs) and 2D autocorrelation vectors. This approach yielded reliable and robust models whilst by means of a linear genetic algorithm (GA) search routine no multilinear regression model was found describing more than 50% of the training set. On the contrary, the optimum neural network predictor with five inputs described about 84% and 65% variances of 50 randomly selected training and test sets. Autocorrelation vectors in the nonlinear model contained information regarding 2D spatial distributions on the CEB structure of van der Waals volumes, electronegativities, and polarizabilities. However, a sensitivity analysis of the network inputs pointed out to the electronegativity and polarizability 2D topological distributions at substructural fragments of sizes 3 and 4 as the most relevant features governing the nonlinear modeling of the negative inotropic potency.

Bayes Theorem↗
PubMed2006

Bayesian-regularized genetic neural networks applied to the modeling of non-peptide antagonists for the human luteinizing hormone-releasing hormone receptor.

Bayesian-regularized genetic neural networks (BRGNNs) were used to model the binding affinity (IC(50)) for 128 non-peptide antagonists for the human luteinizing hormone-releasing hormone (LHRH) receptor using 2D spatial autocorrelation vectors. As a preliminary step, a linear dependence was established by multiple linear regression (MLR) approach, selecting the relevant descriptors by genetic algorithm (GA) feature selection. The linear model showed to fit the training set (N=102) with R(2)=0.746, meanwhile BRGNN exhibited a higher value of R(2)=0.871. Beyond the improvement of training set fitting, the BRGNN model overcame the linear one by being able to describe 85% of test set (N=26) variance in comparison with 73% the MLR model. Our non-linear QSAR model illustrates the importance of an adequate distribution of atomic properties represented in topological frames and reveals the electronegativities, masses and polarizabilities as the most influencing atomic properties in the structures of the heterocycles under analysis for having an appropriate LHRH antagonistic activity. Furthermore, the ability of the non-linear selected variables for differentiating the data was evidenced when total data set was well distributed in a Kohonen self-organizing map (SOM).

Algorithms↗
PubMed2005

Application of Bayesian regularized BP neural network model for analysis of aquatic ecological data-a case study of chlorophyll-a prediction in Nanzui water area of Dongting Lake.

Bayesian regularized BP neural network(BRBPNN) technique was applied in the chlorophyll-a prediction of Nanzui water area in Dongting Lake. Through BP network interpolation method, the input and output samples of the network were obtained. After the selection of input variables using stepwise/multiple linear regression method in SPSS 11.0 software, the BRBPNN model was established between chlorophyll-a and environmental parameters, biological parameters. The achieved optimal network structure was 3-11-1 with the correlation coefficients and the mean square errors for the training set and the test set as 0.999 and 0.00078426, 0.981 and 0.0216 respectively. The sum of square weights between each input neuron and the hidden layer of optimal BRBPNN models of different structures indicated that the effect of individual input parameter on chlorophyll-a declined in the order of alga amount > secchi disc depth (SD) > electrical conductivity (EC). Additionally, it also demonstrated that the contributions of these three factors were the maximal for the change of chlorophyll-a concentration, total phosphorus (TP) and total nitrogen (TN) were the minimal. All the results showed that BRBPNN model was capable of automated regularization parameter selection and thus it may ensure the excellent generation ability and robustness. Thus, this study laid the foundation for the application of BRBPNN model in the analysis of aquatic ecological data(chlorophyll-a prediction) and the explanation about the effective eutrophication treatment measures for Nanzui water area in Dongting Lake.

Bayes Theorem↗
PubMed1993

Belief network for grading prostate lesions.

A Bayesian belief network for grading prostatic lesions into eight primary Gleason grades was developed and tested. The network employs 13 diagnostic clues, 8 based on tissue architectural features and 5 based on nuclear features. For every diagnostic clue, three to five different outcomes are specified by membership functions. The network works in a robust fashion and attained agreement with consensus visual grading in 241 of 256 microscopic fields.

Adenocarcinoma↗
PubMed2004

A Bayesian approach to reconstructing genetic regulatory networks with hidden factors.

MOTIVATION: We have used state-space models (SSMs) to reverse engineer transcriptional networks from highly replicated gene expression profiling time series data obtained from a well-established model of T cell activation. SSMs are a class of dynamic Bayesian networks in which the observed measurements depend on some hidden state variables that evolve according to Markovian dynamics. These hidden variables can capture effects that cannot be directly measured in a gene expression profiling experiment, for example: genes that have not been included in the microarray, levels of regulatory proteins, the effects of mRNA and protein degradation, etc. RESULTS: We have approached the problem of inferring the model structure of these state-space models using both classical and Bayesian methods. In our previous work, a bootstrap procedure was used to derive classical confidence intervals for parameters representing 'gene-gene' interactions over time. In this article, variational approximations are used to perform the analogous model selection task in the Bayesian context. Certain interactions are present in both the classical and the Bayesian analyses of these regulatory networks. The resulting models place JunB and JunD at the centre of the mechanisms that control apoptosis and proliferation. These mechanisms are key for clonal expansion and for controlling the long term behavior (e.g. programmed cell death) of these cells. AVAILABILITY: Supplementary data is available at http://public.kgi.edu/wild/index.htm and Matlab source code for variational Bayesian learning of SSMs is available at http://www.cse.ebuffalo.edu/faculty/mbeal/software.html.

Bayes Theorem↗
PubMed1990

Artificial intelligence-guided analysis of cytologic data.

A design for the integration of artificial intelligence (AI) technology with large databases of clinical and objective cytologic data, such as are on file at the University of Chicago, is presented. Among the key features of this approach are the use of a knowledge representation structure based upon an associative network, the use of a Bayesian belief network as a method of managing uncertainty in the system, and the use of neural networks and unsupervised learning algorithms as a means of discovering patterns within this database. Such an automated approach is necessary, given the complexity and interdependence of these data, to gain an understanding of their dependence structure and to assist in their exploration and analysis.

Algorithms↗
PubMedDate not supplied

Amino Acid Sequence Autocorrelation vectors and ensembles of Bayesian-Regularized Genetic Neural Networks for prediction of conformational stability of human lysozyme mutants.

Development of novel computational approaches for modeling protein properties from their primary structure is a main goal in applied proteomics. In this work, we reported the extension of the autocorrelation vector formalism to amino acid sequences for encoding protein structural information with modeling purposes. Amino Acid Sequence Autocorrelation (AASA) vectors were calculated by measuring the autocorrelations at sequence lags ranging from 1 to 15 on the protein primary structure of 48 amino acid/residue properties selected from the AAindex database. A total of 720 AASA descriptors were tested for building predictive models of the thermal unfolding Gibbs free energy change of human lysozyme mutants. In this sense, ensembles of Bayesian-Regularized Genetic Neural Networks (BRGNNs) were used for obtaining an optimum nonlinear model for the conformational stability. The ensemble predictor described about 88% and 68% variance of the data in training and test sets, respectively. Furthermore, the optimum AASA vector subset was shown not only to successfully model unfolding thermal stability but also to distribute wild-type and mutant lysozymes on a stability Self-organized Map (SOM) when used for unsupervised training of competitive neurons.

Algorithms↗
PubMed2005

Space complexity of estimation of distribution algorithms.

In this paper, we investigate the space complexity of the Estimation of Distribution Algorithms (EDAs), a class of sampling-based variants of the genetic algorithm. By analyzing the nature of EDAs, we identify criteria that characterize the space complexity of two typical implementation schemes of EDAs, the factorized distribution algorithm and Bayesian network-based algorithms. Using random additive functions as the prototype, we prove that the space complexity of the factorized distribution algorithm and Bayesian network-based algorithms is exponential in the problem size even if the optimization problem has a very sparse interaction structure.

Algorithms↗
PubMed1995

An ignorant belief network to forecast glucose concentration from clinical databases.

Ignorant Belief Networks (IBNs) are a class of Bayesian Belief Networks (BBNs) able to reason on the basis of incomplete probabilistic information and to incrementally refine the precision of the inferred probabilities as more information becomes available. In this paper, we will describe how can be used to develop a system able to forecast blood glucose concentration in patients affected by insulin dependent diabetes mellitus (IDDM). The major difference between our approach and the traditional ones is that probability distributions over the IBN are not provided by some human expert or by the current literature but they are directly extracted from a clinical database of IDDM patients. This choice capitalizes on the large amount of information generated by the daily control of blood glucose and allows the system to improve the accuracy of predictions as more information becomes available. We will show how, even with a very small subset of the information needed to specify a BBN, the IBN is able to carry out predictions about the future blood glucose concentration in a patient by explicitly taking into consideration the level of ignorance embedded in the network.

Artificial Intelligence↗
PubMed1998

An investigation of neural networks in thyroid function diagnosis.

We investigate the potential of artificial neural networks in diagnosing thyroid diseases. The robustness of neural networks with regard to sampling variations is examined using a cross-validation method. We illustrate the link between neural networks and traditional Bayesian classifiers. Neural networks can provide good estimates of posterior probabilities and hence can have better classification performance than traditional statistical methods such as logistic regression. The neural network models are further shown to be robust to sampling variations. It is demonstrated that for medical diagnosis problems where the data are often highly unbalanced, neural networks can be a promising classification method for practical use.

Bayes Theorem↗
PubMed1999

An adaptive Bayesian pruning for neural networks in a non-stationary environment.

Pruning a neural network to a reasonable smaller size, and if possible to give a better generalization, has long been investigated. Conventionally the common technique of pruning is based on considering error sensitivity measure, and the nature of the problem being solved is usually stationary. In this article, we present an adaptive pruning algorithm for use in a nonstationary environment. The idea relies on the use of the extended Kalman filter (EKF) training method. Since EKF is a recursive Bayesian algorithm, we define a weight-importance measure in term of the sensitivity of a posteriori probability. Making use of this new measure and the adaptive nature of EKF, we devise an adaptive pruning algorithm called adaptive Bayesian pruning. Simulation results indicate that in a noisy nonstationary environment, the proposed pruning algorithm is able to remove network redundancy adaptively and yet preserve the same generalization ability.

Bayes Theorem↗
PubMed2006

Implementing Gaussian process inference with neural networks.

Gaussian processes compare favourably with backpropagation neural networks as a tool for regression, and Bayesian neural networks have Gaussian process behaviour when the number of hidden neurons tends to infinity. We describe a simple recurrent neural network with connection weights trained by one-shot Hebbian learning. This network amounts to a dynamical system which relaxes to a stable state in which it generates predictions identical to those of Gaussian process regression. In effect an infinite number of hidden units in a feed-forward architecture can be replaced by a merely finite number, together with recurrent connections.

Algorithms↗
PubMed2006

Invariance priors for Bayesian feed-forward neural networks.

Neural networks (NN) are famous for their advantageous flexibility for problems when there is insufficient knowledge to set up a proper model. On the other hand, this flexibility can cause overfitting and can hamper the generalization of neural networks. Many approaches to regularizing NN have been suggested but most of them are based on ad hoc arguments. Employing the principle of transformation invariance, we derive a general prior in accordance with the Bayesian probability theory for feed-forward networks. An optimal network is determined by Bayesian model comparison, verifying the applicability of this approach. Additionally the prior presented affords cell pruning.

Algorithms↗
PubMed2004

Protein structure and fold prediction using tree-augmented naive Bayesian classifier.

For determining the structure class and fold class of Protein Structure, computer-based techniques have became essential considering the large volume of the data. Several techniques based on sequence similarity. Neural Networks, SVMs, etc have been applied. This paper presents a framework using the Tree-Augmented Networks (TAN) based on the theory of learning Bayesian networks but with less restrictive assumptions than the naive Bayesian networks. In order to enhance TAN's performance, pre-processing of data is done by feature discretization and post-processing is done by using Mean Probability Voting (MPV) scheme. The advantage of using Bayesian approach over other learning methods is that the network structure is intuitive. In addition, one can read off the TAN structure probabilities to determine the significance of each feature (say, Hydrophobicity) for each class, which help to further understand the mystery of protein structure. Experimental results and comparison with other works over two databases show the effectiveness of our TAN based framework. The idea is implemented as the BAYESPROT web server and it is available at http://www-appn.comp.nus.edu.sg/-bioinfo/bayesprot/Default.htm.

Artificial Intelligence↗
PubMed2001

Neural network based automatic diagnosis of children with brain dysfunction.

This paper proposes the use of multilayer perceptron for brain dysfunction diagnosis. The performance of MLP was better than that of Discriminant Analysis and Decision Tree classifiers, with an 85% accuracy rate in an experimental test involving 332 subjects. In addition, the neural network employing Bayesian learning was able to identify the most important input variable. These two results demonstrate that the neural network can be effectively used in the diagnosis of children with brain dysfunction.

Attention Deficit Disorder with Hyperactivity↗
PubMed2005

Prediction of caspase cleavage sites using Bayesian bio-basis function neural networks.

MOTIVATION: Apoptosis has drawn the attention of researchers because of its importance in treating some diseases through finding a proper way to block or slow down the apoptosis process. Having understood that caspase cleavage is the key to apoptosis, we find novel methods or algorithms are essential for studying the specificity of caspase cleavage activity and this helps the effective drug design. As bio-basis function neural networks have proven to outperform some conventional neural learning algorithms, there is a motivation, in this study, to investigate the application of bio-basis function neural networks for the prediction of caspase cleavage sites. RESULTS: Thirteen protein sequences with experimentally determined caspase cleavage sites were downloaded from NCBI. Bayesian bio-basis function neural networks are investigated and the comparisons with single-layer perceptrons, multilayer perceptrons, the original bio-basis function neural networks and support vector machines are given. The impact of the sliding window size used to generate sub-sequences for modelling on prediction accuracy is studied. The results show that the Bayesian bio-basis function neural network with two Gaussian distributions for model parameters (weights) performed the best and the highest prediction accuracy is 97.15 +/- 1.13%. AVAILABILITY: The package of Bayesian bio-basis function neural network can be obtained by request to the author.

Algorithms↗
PubMed2004

Phylogenetic reconstruction of a known HIV-1 CRF04_cpx transmission network using maximum likelihood and Bayesian methods.

The CRF04_cpx strains of HIV-1 accounts for approximately 2-10% of the infected population in Greece, across different transmission risk groups. CRF04_cpx was the lineage documented in an HIV-1 transmission network in Thessalonica, northern Greece. Most of the transmissions occurred through unprotected heterosexual contacts between 1989 and 1993. Blood samples were available for six patients, obtained 6-10 years later, except for one patient sampled in 1991. Our objective was to examine whether the transmission history is compatible with the evolutionary tree of the virus, in partial gag, partial env, and partial gag+env. The inferred phylogenetic tree obtained using maximum likelihood and Bayesian methods in partial gag+env was much closer to the transmission tree than that using either env or gag separately. Our findings suggest that the epidemiological relationships among patients who have been infected by a common source correspond almost exactly to the evolutionary trees of the virus, given that enough phylogenetic signal is present in the alignment. Moreover, we found evidence that recombination is not the most parsimonious explanation for the phylogenetic incongruence between gag and env. For patients with known infection dates, the estimated dates of the coalescent events obtained using molecular clock calculations based on a newly developed Bayesian method in gag + env were in agreement with the actual infection dates.

Bayes Theorem↗
PubMed1999

Using sensitivity analysis for efficient quantification of a belief network.

Sensitivity analysis is a method to investigate the effects of varying a model's parameters on its predictions. It was recently suggested as a suitable means to facilitate quantifying the joint probability distribution of a Bayesian belief network. This article presents practical experience with performing sensitivity analyses on a belief network in the field of medical prognosis and treatment planning. Three network quantifications with different levels of informedness were constructed. Two poorly-informed quantifications were improved by replacing the most influential parameters with the corresponding parameter estimates from the well-informed network quantification; these influential parameters were found by performing one-way sensitivity analyses. Subsequently, the results of the replacements were investigated by comparing network predictions. It was found that it may be sufficient to gather a limited number of highly-informed network parameters to obtain a satisfying network quantification. It is therefore concluded that sensitivity analysis can be used to improve the efficiency of quantifying a belief network.

Algorithms↗