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Artificial Intelligence-Driven Multi-Omics Analysis Reveals Hydroxytyrosol Targeting of the TXNIP-NLRP3 Inflammasome Axis in Traumatic Brain Injury.

Traumatic brain injury (TBI) induces secondary neuroinflammation driven by oxidative stress, inflammasome activation, and immune remodeling, yet specific mechanism-guided pharmacological interventions remain limited. This study established an artificial intelligence (AI)-integrated network pharmacology and multi-omics framework to evaluate whether hydroxytyrosol (HT), an olive-derived natural polyphenol, may regulate TBI-related neuroinflammatory targets centered on the TXNIP/NLRP3 inflammasome axis. Starting from the SMILES structure of HT, potential targets were predicted using PharmMapper, SwissTargetPrediction, and the Similarity Ensemble Approach and were standardized to UniProt identifiers. TBI-associated genes were integrated from GeneCards, DisGeNET, OMIM, and the Therapeutic Target Database. The overlapping target set was analyzed using STRING-based protein-protein interaction (PPI) networks, MCODE, CytoHubba, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment. Public GEO transcriptomic datasets (GSE123831 and GSE104687) were used for cross-platform expression validation, differential expression analysis, and exploratory CIBERSORT-based immune infiltration estimation. Random forest (RF), multilayer perceptron (MLP), graph convolutional network (GCN), graph attention network (GAT), SHAP/LIME explainability analysis, LASSO inflammatory-risk scoring, and two-sample Mendelian randomization (MR) were further applied for target prioritization, immune phenotype mapping, and genetic association analysis. Seventy-three overlapping HT-TBI targets were identified. PPI and topology analyses prioritized TXNIP, NLRP3, CASP1, MAPK1, and TP53 as key hubs enriched in inflammasome activation, oxidative stress, apoptosis, and NOD-like receptor signaling. TXNIP, NLRP3, and CASP1 were consistently upregulated in both TBI transcriptomic datasets. LM22-based immune deconvolution suggested increased pro-inflammatory immune signatures and a positive TXNIP-M1 macrophage association (r&#x202f;=&#x202f;0.63, p < 0.001), which should be interpreted as a transcriptome-derived hypothesis rather than validated murine immune-cell proportions. AI-based models consistently ranked TXNIP/NLRP3 as high-contribution features under internal validation, and removal of these targets reduced model performance. A five-gene inflammatory score achieved an internally evaluated AUC of 0.87, while two-sample MR supported positive genetic associations involving TXNIP expression, TBI risk, NLRP3 and IL-1&#x3b2; expression. Collectively, these findings prioritize the TXNIP/NLRP3/CASP1 module as a computationally supported candidate mechanism through which HT may influence oxidative stress-inflammasome-immune coupling in TBI. This study provides an interpretable drug-target-pathway-phenotype framework and identifies TXNIP, NLRP3, and CASP1 as priority nodes for future experimental validation.

Artificial Intelligence↗

Performance comparison of neural network training algorithms in modeling of bimodal drug delivery.

The major aim of this study was to model the effect of two causal factors, i.e. coating weight gain and amount of pectin-chitosan in the coating solution on the in vitro release profile of theophylline for bimodal drug delivery. Artificial neural network (ANN) as a multilayer perceptron feedforward network was incorporated for developing a predictive model of the formulations. Five different training algorithms belonging to three classes: gradient descent, quasi-Newton (Levenberg-Marquardt, LM) and genetic algorithm (GA) were used to train ANN containing a single hidden layer of four nodes. The next objective of the current study was to compare the performance of aforementioned algorithms with regard to predicting ability. The ANNs were trained with those algorithms using the available experimental data as the training set. The divergence of the RMSE between the output and target values of test set was monitored and used as a criterion to stop training. Two versions of gradient descent backpropagation algorithms, i.e. incremental backpropagation (IBP) and batch backpropagation (BBP) outperformed the others. No significant differences were found between the predictive abilities of IBP and BBP, although, the convergence speed of BBP is three- to four-fold higher than IBP. Although, both gradient descent backpropagation and LM methodologies gave comparable results for the data modeling, training of ANNs with genetic algorithm was erratic. The precision of predictive ability was measured for each training algorithm and their performances were in the order of: IBP, BBP>LM>QP (quick propagation)>GA. According to BBP-ANN implementation, an increase in coating levels and a decrease in the amount of pectin-chitosan generally retarded the drug release. Moreover, the latter causal factor namely the amount of pectin-chitosan played slightly more dominant role in determination of the dissolution profiles.

Acrylic Resins↗

Analysis of nonlinear systems to estimate intraocular lens position after cataract surgery.

PURPOSE: To compare the performance of neural networks with that of linear regression to predict the postoperative effective lens position (ELP) from preoperative biometry measurements. SETTING: Departments of Ophthalmology, Medical Cybernetics and Artificial Intelligence, and Medical Physics, Medical University of Vienna, Vienna, Austria. METHODS: The neural-network-type multilayer perceptron (MLP) and a linear regression technique were used to predict ELP. Suitable MLP models and variable input combinations were selected by extended-feature subset selection. Apart from the usual preoperative biometric variables, anterior chamber depth and lens thickness were measured with partial coherence interferometry and white-to-white measurements were used as input variables. RESULTS: Prediction of ELP could be improved from a correlation coefficient (Pearson) of 0.54 for linear regression to a coefficient of 0.68 for the MLP; however, this difference was not statistically significant. CONCLUSION: The prediction of postoperative ACD with the MLP was not significantly better than the prediction using linear regression.

Adult↗

Automatic seizure detection in EEG using logistic regression and artificial neural network.

The detection of epileptiform discharges in the EEG is an important component in the diagnosis of epilepsy. In this study, multiple signal classification (MUSIC), autoregressive (AR) and periodogram methods were used to get power spectra in patients with absence seizure. The EEG power spectra were used as an input to a classifier. We introduce two fundamentally different approaches for designing classification models (classifiers); the traditional statistical method based on logistic regression (LR) and the emerging computationally powerful techniques based on artificial neural networks (ANNs). LR as well as multilayer perceptron neural network (MLPNN) based classifiers were developed and compared in relation to their accuracy in classification of EEG signals. The comparisons between the developed classifiers were primarily based on analysis of the receiver operating characteristic (ROC) curves as well as a number of scalar performance measures pertaining to the classification. The MLPNN based classifier outperformed the LR based counterpart. Within the same group, the MLPNN-based classifier was more accurate than the LR-based classifier.

Algorithms↗

Superiority of nonlinear mapping in decoding multiple single-unit neuronal spike trains: a simulation study.

One of the most important building blocks of the brain-machine interface (BMI) based on neuronal spike trains is the decoding algorithm, a computational method for the reconstruction of desired information from spike trains. Previous studies have reported that a simple linear filter is effective for this purpose and that no noteworthy gain is achieved from the use of nonlinear algorithms. In order to test this premise, we designed several decoding algorithms based on the linear filter, and two nonlinear mapping algorithms using multilayer perceptron (MLP) and support vector machine regression (SVR). Their performances were assessed using multiple neuronal spike trains generated by a biophysical neuron model and by a directional tuning model of the primary motor cortex. The performances of the nonlinear algorithms, in general, were superior. The advantages of using nonlinear algorithms were more profound for cases where false-positive/negative errors occurred in spike trains. When the MLPs were trained using trial-and-error, they often showed disappointing performance comparable to that of the linear filter. The nonlinear SVR showed the highest performance, and this may be due to the superiority of SVR in training and generalization.

Action Potentials↗

Prediction of the aqueous solubility of benzylamine salts using QSPR model.

Models predicting aqueous solubility of benzylamine salts were developed using multivariate partial least squares (PLS) and artificial neural network (ANN). Molecular descriptors, including binding energy (BE) and surface area of salts (SA), were calculated by the use of Hyperchem and ChemPlus QSAR programs for Windows. Other physicochemical properties, such as hydrogen acceptor for oxygen atoms, hydrogen acceptor for nitrogen atoms, hydrogen bond donors, hydrogen bond forming ability, molecular weight (MW), and calculated log partition coefficient (clog P) of p-substituted benzoic acids, were also used as descriptors. In this study, the predictive ability of ANN, especially multilayer perceptron (MLP) architecture networks, was founded to be superior to PLS models. The best ANN model derived, a 6-1-1 architecture, had an overall R(2) of 0.850 and root mean square error (RMSE) for cross-verification and test set of 0.189 and 0.185 log units, respectively. Since all the utilized descriptors are readily obtained from calculation, these derived models offer the advantage of not requiring the experimental determination of some descriptors.

Benzylamines↗

Detecting variability of internal carotid arterial Doppler signals by Lyapunov exponents.

The new method presented in this study was directly based on the consideration that internal carotid arterial Doppler signals are chaotic signals. This consideration was tested successfully using the nonlinear dynamics tools, like the computation of Lyapunov exponents. Multilayer perceptron neural network (MLPNN) architecture was formulated and used as a basis for detecting variabilities such as stenosis and occlusion in the physical state of internal carotid arterial Doppler signals. The computed Lyapunov exponents of the internal carotid arterial Doppler signals were used as inputs of the MLPNN. Receiver operating characteristic (ROC) curve was used to assess the performance of the detection process. The internal carotid arterial Doppler signals were classified with the accuracy varying from 94.87% to 97.44%. The results confirmed that the proposed MLPNN trained with Levenberg-Marquardt algorithm has potential in detecting stenosis and occlusion in internal carotid arteries.

Adolescent↗

Artificial neural network based identification of Campylobacter species by Fourier transform infrared spectroscopy.

Two prototypes of artificial neural network (ANN), multilayer perceptron (MLP), and probabilistic neural network (PNN), were used to analyze infrared (IR) spectral data obtained from intact cells belonging to the species Campylobacter coli and Campylobacter jejuni. In order to establish a consistent identification and typing procedure, mid infrared spectra of these species were obtained by means of a Fourier transform infrared (FT-IR) spectroscope. FT-IR patterns belonging to 26 isolates subclassified into 4 genotypes were pre-processed (normalized, smoothed and derivatized) and grouped into training, verification and test sets. The two architectures tested (PNN, MLP) were developed and trained to identify or leave unassigned a number of IR patterns. Two window ranges (w(4), 1200 to 900 cm(-1); and w(5), 900 to 700 cm(-1)) in the mid IR spectrum were presented as input to the ANN models functioning as pattern recognition systems. No matter the ANN used all the training sets were correctly identified at subspecies level. For the test set, the four-layer MLP network was found to be specially suitable to recognize FT-IR data since it correctly identified 99.16% of unknowns using the w(4) range, and was fully successful in detecting atypical patterns from closely related Campylobacter strains and other bacterial species. The PNN network obtained lower percentages in assignation and rejection. Overall, ANNs constitute an excellent mathematical tool in microbial identification, since they are able to recognize with a high degree of confidence typical as well as atypical FT-IR fingerprints from Campylobacter spp.

Campylobacter↗

Framewise phoneme classification with bidirectional LSTM and other neural network architectures.

In this paper, we present bidirectional Long Short Term Memory (LSTM) networks, and a modified, full gradient version of the LSTM learning algorithm. We evaluate Bidirectional LSTM (BLSTM) and several other network architectures on the benchmark task of framewise phoneme classification, using the TIMIT database. Our main findings are that bidirectional networks outperform unidirectional ones, and Long Short Term Memory (LSTM) is much faster and also more accurate than both standard Recurrent Neural Nets (RNNs) and time-windowed Multilayer Perceptrons (MLPs). Our results support the view that contextual information is crucial to speech processing, and suggest that BLSTM is an effective architecture with which to exploit it.

Algorithms↗

Perception through visuomotor anticipation in a mobile robot.

Several scientists suggested that certain perceptual qualities are based on sensorimotor anticipation: for example, the softness of a sponge is perceived by anticipating the sensations resulting from a grasping movement. For the perception of spatial arrangements, this article demonstrates that this concept can be realized in a mobile robot. The robot first learned to predict how its visual input changes under movement commands. With this ability, two perceptual tasks could be solved: judging the distance to an obstacle in front by 'mentally' simulating a movement toward the obstacle, and recognizing a dead end by simulating either an obstacle-avoidance algorithm or a recursive search for an exit. A simulated movement contained a series of prediction steps. In each step, a multilayer perceptron anticipated the next image, which, however, became increasingly noisy. To denoise an image, it was split into patches, and each patch was projected onto a manifold obtained by modelling the density of the distribution of training patches with a mixture of Gaussian functions.

Algorithms↗

Stream fish assemblages and basin land cover in a river network.

This study focused on characterizing fish assemblages in the Adour-Garonne basin and identifying the relative influences of landscape-scale features on observed patterns in stream fish assemblages. Two different artificial neural network algorithms were used: a self-organizing map (SOM) and a multilayer perceptron (MLP). A SOM was applied to determine fish assemblage types, and a MLP was used to predict the fish assemblage types defined by the SOM. Thirty four species were collected at 191 sampling sites in a major river-system, the Adour-Garonne basin, and topographical factors, namely altitude, distance from source and surface area of drainage basin were measured. Using GIS, land cover types (agricultural land, forests and urbanized artificial surface) were calculated for each site and expressed as percentage of the surface area of basin. These variables were introduced to the MLP and factorial discriminant analysis for the prediction of assemblage types. As a result, the SOM distinguished three fish assemblage types according to the differences of species composition, and the assemblage types were better predicted with landscape-scale features by MLP than discriminant analysis. The percentages of agricultural land and the surface area of a basin showed the greatest influence on assemblage types 1 and 2, and distance from source was the most important factor to determine assemblage type 3.

Agriculture↗

Coronary artery bypass risk prediction using neural networks.

BACKGROUND: Neural networks are nonparametric, robust, pattern recognition techniques that can be used to model complex relationships. METHODS: The applicability of multilayer perceptron neural networks (MLP) to coronary artery bypass grafting risk prediction was assessed using The Society of Thoracic Surgeons database of 80,606 patients who underwent coronary artery bypass grafting in 1993. The results of traditional logistic regression and Bayesian analysis were compared with single-layer (no hidden layer), two-layer (one hidden layer), and three-layer (two hidden layer) MLP neural networks. These networks were trained using stochastic gradient descent with early stopping. All prediction models used the same variables and were evaluated by training on 40,480 patients and cross-validation testing on a separate group of 40,126 patients. Techniques were also developed to calculate effective odds ratios for MLP networks and to generate confidence intervals for MLP risk predictions using an auxiliary "confidence MLP." RESULTS: Receiver operating characteristic curve areas for predicting mortality were approximately 76% for all classifiers, including neural networks. Calibration (accuracy of posterior probability prediction) was slightly better with a two-member committee classifier that averaged the outputs of a MLP network and a logistic regression model. Unlike the individual methods, the committee classifier did not overestimate or underestimate risk for high-risk patients. CONCLUSIONS: A committee classifier combining the best neural network and logistic regression provided the best model calibration, but the receiver operating characteristic curve area was only 76% irrespective of which predictive model was used.

Bayes Theorem↗

The Kautsky curve is a built-in barcode.

We identify objects from their visually observable morphological features. Automatic methods for identifying living objects are often needed in new technology, and these methods try to utilize shapes. When it comes to identifying plant species automatically, machine vision is difficult to implement because the shapes of different plants overlap and vary greatly because of different viewing angles in field conditions. In the present study we show that chlorophyll a fluorescence, emitted by plant leaves, carries information that can be used for the identification of plant species. Transient changes in fluorescence intensity when a light is turned on were parameterized and then subjected to a variety of pattern recognition procedures. A Self-Organizing Map constructed from the fluorescence signals was found to group the signals according to the phylogenetic origins of the plants. We then used three different methods of pattern recognition, of which the Bayesian Minimum Distance classifier is a parametric technique, whereas the Multilayer Perceptron neural network and k-Nearest Neighbor techniques are nonparametric. Of these techniques, the neural network turned out to be the most powerful one for identifying individual species or groups of species from their fluorescence transients. The excellent recognition accuracy, generally over 95%, allows us to speculate that the method can be further developed into an application in precision agriculture as a means of automatically identifying plant species in the field.

Biophysical Phenomena↗

Predicting the presence of plasma heparin using neural networks to analyze coagulation screening assay optical profiles.

A method for predicting the presence of heparin from coagulation screening assays is described and data are presented. This method incorporates the use of a multilayer perceptron trained through an error back-propagation algorithm in analyzing clotting optical data profiles. This method may lead to the identification of abnormalities from screening assays that might otherwise go undetected, or require additional testing to isolate.

Artificial Intelligence↗

Acoustic emission data assisted process monitoring.

Gas-liquid two-phase flows are widely used in the chemical industry. Accurate measurements of flow parameters, such as flow regimes, are the key of operating efficiency. Due to the interface complexity of a two-phase flow, it is very difficult to monitor and distinguish flow regimes on-line and real time. In this paper we propose a cost-effective and computation-efficient acoustic emission (AE) detection system combined with artificial neural network technology to recognize four major patterns in an air-water vertical two-phase flow column. Several crucial AE parameters are explored and validated, and we found that the density of acoustic emission events and ring-down counts are two excellent indicators for the flow pattern recognition problems. Instead of the traditional Fair map, a hit-count map is developed and a multilayer Perceptron neural network is designed as a decision maker to describe an approximate transmission stage of a given two-phase flow system.

Acoustics↗

Neural networks for process control and optimization: two industrial applications.

The two most widely used neural models, multilayer perceptron (MLP) and radial basis function network (RBFN), are presented in the framework of system identification and control. The main steps for building such nonlinear black box models are regressor choice, selection of internal architecture, and parameter estimation. The advantages of neural network models are summarized: universal approximation capabilities, flexibility, and parsimony. Two applications are described in steel industry and water treatment, respectively, the control of alloying process in a hot dipped galvanizing line and the control of a coagulation process in a drinking water treatment plant. These examples highlight the interest of neural techniques, when complex nonlinear phenomena are involved, but the empirical knowledge of control operators can be learned.

Algorithms↗

Modeling of an intelligent pressure sensor using functional link artificial neural networks.

A capacitor pressure sensor (CPS) is modeled for accurate readout of applied pressure using a novel artificial neural network (ANN). The proposed functional link ANN (FLANN) is a computationally efficient nonlinear network and is capable of complex nonlinear mapping between its input and output pattern space. The nonlinearity is introduced into the FLANN by passing the input pattern through a functional expansion unit. Three different polynomials such as, Chebyschev, Legendre and power series have been employed in the FLANN. The FLANN offers computational advantage over a multilayer perceptron (MLP) for similar performance in modeling of the CPS. The prime aim of the present paper is to develop an intelligent model of the CPS involving less computational complexity, so that its implementation can be economical and robust. It is shown that, over a wide temperature variation ranging from -50 to 150 degrees C, the maximum error of estimation of pressure remains within +/- 3%. With the help of computer simulation, the performance of the three types of FLANN models has been compared to that of an MLP based model.

Algorithms↗

An MLP-based model for identifying qEEG in depression.

Manual differentiation of electroencephalography (EEG) paper recordings in cases of depression is not very helpful. So, a Multilayer Perceptron (MLP) has been used to differentiate the EEG power density spectra (qEEG) in the wakeful state from animals (control, exercised and depressed). The qEEG ranging from 1 to 30 Hz, at 1 Hz increments (30 input features) and also a slow, medium and fast activity (represented by three ranges of frequencies at the input) were used. After training with depressed and control qEEG only, the MLP has been found to distinguish successfully between the normal and the depressed rats in more than 80% of the cases, identifying, in the process, most of the exercised groups' EEG as normal. The reduction in the dimension of input features from 30 individual frequencies to 3 frequency bands has produced similar results. The rules generated for making such distinctions have been found to be similar to the clinical views.

Algorithms↗