VODCA: Verification of Diagnosis Using CAM-Based Approach for Explainable Process Monitoring.

Process monitoring at industrial sites contributes to system stability by detecting and diagnosing unexpected changes in a system. Today, as the infrastructure of industrial sites is advancing because of the development of communication technology, vast amounts of data are generated, and the importance of a way to effectively monitor such data in order to diagnose a system is increasing daily. Because a method based on a deep neural network can effectively extract information from a large amount of data, methods have been proposed to monitor processes using such networks to detect system faults and abnormalities. Neural-network-based process monitoring is effective in detecting faults, but has difficulty in diagnosing because of the limitations of the black-box model. Therefore, in this paper we propose a process-monitoring framework that can detect and diagnose faults. The proposed method uses a class activation map that results from diagnosis of faults and abnormalities, and verifies the diagnosis by post-processing the class activation map. This improves the detection of faults and abnormalities and generates a class activation map that provides a more verified diagnosis to the end user. In order to evaluate the performance of the proposed method, we did a simulation using publicly available industrial motor datasets. In addition, after establishing a system that can apply the proposed method to actual manufacturing companies that produce sapphire nozzles, we carried out a case study on whether fault detection and diagnosis were possible.

Neural network prediction of peptide separation in strong anion exchange chromatography.

MOTIVATION: The still emerging combination of technologies that enable description and characterization of all expressed proteins in a biological system is known as proteomics. Although many separation and analysis technologies have been employed in proteomics, it remains a challenge to predict peptide behavior during separation processes. New informatics tools are needed to model the experimental analysis method that will allow scientists to predict peptide separation and assist with required data mining steps, such as protein identification. RESULTS: We developed a software package to predict the separation of peptides in strong anion exchange (SAX) chromatography using artificial neural network based pattern classification techniques. A multi-layer perceptron is used as a pattern classifier and it is designed with feature vectors extracted from the peptides so that the classification error is minimized. A genetic algorithm is employed to train the neural network. The developed system was tested using 14 protein digests, and the sensitivity analysis was carried out to investigate the significance of each feature. AVAILABILITY: The software and testing results can be downloaded from ftp://ftp.bbc.purdue.edu.

Comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry peak sorting algorithm.

We report a novel peak sorting method for the two-dimensional gas chromatography/time-of-flight mass spectrometry (GC x GC/TOF-MS) system. The objective of peak sorting is to recognize peaks from the same metabolite occurring in different samples from thousands of peaks detected in the analytical procedure. The developed algorithm is based on the fact that the chromatographic peaks for a given analyte have similar retention times in all of the chromatograms. Raw instrument data are first processed by ChromaTOF (Leco) software to provide the peak tables. Our algorithm achieves peak sorting by utilizing the first- and second-dimension retention times in the peak tables and the mass spectra generated during the process of electron impact ionization. The algorithm searches the peak tables for the peaks generated by the same type of metabolite using several search criteria. Our software also includes options to eliminate non-target peaks from the sorting results, e.g., peaks of contaminants. The developed software package has been tested using a mixture of standard metabolites and another mixture of standard metabolites spiked into human serum. Manual validation demonstrates high accuracy of peak sorting with this algorithm.

Development of GCxGC/TOF-MS metabolomics for use in ecotoxicological studies with invertebrates.

The majority of metabolomic studies used in ecotoxicology have implemented (1)H NMR analysis. Despite constant improvement, major limitations of NMR-based techniques include relatively low sensitivity that results in an examination of a limited number of metabolites. An alternative approach is the use of liquid or gas chromatography (GC) for separation of metabolites and mass spectrometry (MS) for their quantification and identification. The objective of our study was to develop a two dimensional GC coupled with time of flight MS (GCxGC/TOF-MS) coupled with multivariate analysis to compare metabolite profiles of Diporeia under different environmental conditions. We compared metabolite profiles between Diporeia collected from Lake Michigan (declining populations) to those residing in Lake Superior (stable populations), and also between Diporeia exposed to a chemical stressor (atrazine) and controls. Overall, 76 and 302 total metabolites were detected from the lake comparison and atrazine studies, respectively. Many of the identified metabolites included fatty acids, amino acids, and hydrocarbons. Furthermore, we observed unique and almost non-overlapping metabolite profiles in both studies. In conclusion, we established the feasibility of using GCxGC/TOF-MS for detecting metabolites as well as developed software to align and merge chromatographic peaks to compare metabolite differences between invertebrate groups sampled under different environmental conditions. This ability to detect unique metabolite profiles under different environmental conditions will increase our undertsanding on the physiological processes and whole-organism reponses occuring as a result of exposure to different environmental stressors.

Autoassociative memory design using interconnected generalized brain-state-in-a-box neural networks.

A class of interconnected neural networks composed of generalized Brain-State-in-a-Box (gBSB) neural subnetworks is considered. Interconnected gBSB neural network architectures are proposed along with their stability conditions. The design of the interconnected neural networks is reduced to the problem of solving linear matrix inequalities (LMIs) to determine the interconnection parameters. A method for solving LMIs is devised generating the solutions that, in general, are further away from zero than the corresponding solutions obtained using MATLAB's LMI toolbox, thus resulting in stronger interconnections between the subnetworks. The proposed architectures are then used to construct neural associative memories. Simulations are performed to illustrate the results obtained.

Associative memory design using overlapping decomposition and generalized brain-state-in-a-box neural networks.

This paper is concerned with large scale associative memory design. A serious problem with neural associative memories is the quadratic growth of the number of interconnections with the problem size. An overlapping decomposition algorithm is proposed to attack this problem. Specifically, a pattern to be processed is decomposed into overlapping sub-patterns. Then, neural sub-networks are constructed that process the sub-patterns. An error correction algorithm operates on the outputs of each sub-network in order to correct the mismatches between sub-patterns that are obtained from the independent recall processes of individual sub-networks. The performance of the proposed large scale associative memory is illustrated using two-dimensional images. It is shown that the proposed method reduces the computing cost of the design of the associative memories compared with non-interconnected associative memories.

Large-scale pattern storage and retrieval using generalized brain-state-in-a-box neural networks.

In this paper, a generalized Brain-State-in-a-Box (gBSB)-based hybrid neural network is proposed for storing and retrieving pattern sequences. The hybrid network consists of autoassociative and heteroassociative parts. Then, a large-scale image storage and retrieval neural system is constructed using the gBSB-based hybrid neural network and the pattern decomposition concept. The notion of the deadbeat stability is employed to describe the stability property of the vertices of the hypercube to which the trajectories of the gBSB neural system are constrained. Extensive simulations of large scale pattern and image storing and retrieval are presented to illustrate the results obtained.