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At least 487 records · Page 27

Kinetics-Informed Neural Networks

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize feed-forward artificial neural networks as basis functions to solve ordinary differential equations (ODEs) constrained by differential algebraic equations (DAEs) that describe microkinetic models (MKMs). We present an algebraic framework for the mathematical description and classification of reaction networks, types of elementary reaction, and chemical species. Under this framework, we demonstrate that the simultaneous training of neural nets and kinetic model parameters in a regularized multi-objective optimization setting leads to the solution of the inverse problem through the estimation of kinetic parameters from synthetic experimental data. We analyze a set of scenarios to establish the extent to which kinetic parameters can be retrieved from transient kinetic data, and assess the robustness of the methodology with respect to statistical noise. Furthermore, this approach to inverse kinetic ODEs can assist in the elucidation of reaction mechanisms based on transient data.

36 MATERIALS SCIENCE↗

A geometrical interpretation of the 2n-th central difference

Many algorithms used for data smoothing, data classification and error detection require the calculation of the distance from a point to the polynomial interpolating its 2n neighbors (n on each side). This computation, if performed naively, would require the solution of a system of equations and could create numerical problems. This note shows that if the data is equally spaced, then this calculation can be performed using a simple recursion formula.

Tapia, R. A.↗

An intelligent interactive visual database management system for Space Shuttle closeout image management

Status is given of an applications investigation on the potential for using an expert system shell for classification and retrieval of high resolution, digital, color space shuttle closeout photography. This NASA funded activity has focused on the use of integrated information technologies to intelligently classify and retrieve still imagery from a large, electronically stored collection. A space shuttle processing problem is identified, a working prototype system is described, and commercial applications are identified. A conclusion reached is that the developed system has distinct advantages over the present manual system and cost efficiencies will result as the system is implemented. Further, commercial potential exists for this integrated technology.

Ragusa, James M.↗

An Approach to Bayesian Optimization for Design Feasibility Check on Discontinuous Black-Box Functions

The paper presents a novel approach to applying Bayesian Optimization (BO) in predicting an unknown constraint boundary, also representing the discontinuity of an unknown function, for a feasibility check on the design space, thereby representing a classification tool to discern between a feasible and infeasible region. Bayesian optimization is a low-cost black-box global optimization tool in the Sequential Design Methods where one learns and updates knowledge from prior evaluated designs, and proceeds to the selection of new designs for future evaluation. However, BO is best suited to problems with the assumption of a continuous objective function and does not guarantee true convergence when having a discontinuous design space. This is because of the insufficient knowledge of the BO about the nature of the discontinuity of the unknown true function. In this paper, we have proposed to predict the location of the discontinuity using a BO algorithm on an artificially projected continuous design space from the original discontinuous design space. The proposed approach has been implemented in a thin tube design with the risk of creep-fatigue failure under constant loading of temperature and pressure. The stated risk depends on the location of the designs in terms of safe and unsafe regions, where the discontinuities lie at the transition between those regions; therefore, the discontinuity has also been treated as an unknown creep-fatigue failure constraint. The proposed BO algorithm has been trained to maximize sampling toward the unknown transition region, to act as a high accuracy classifier between safe and unsafe designs with minimal training cost. The converged solution has been validated for different design parameters with classification error rate and function evaluations at an average of <1% and ~150, respectively. Finally, the performance of our proposed approach in terms of training cost and classification accuracy of thin tube design is shown to be better than the existing machine learning (ML) algorithms such as Support Vector Machine (SVM), Random Forest (RF), and Boosting.

Engineering↗

Protein Conformational States—A First Principles Bayesian Method

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naïve Bayes classifier from the machine learning community for use on atom-to-atom pairwise contacts. The result is an unsupervised learning algorithm that samples a ‘distribution’ over potential classification schemes. We apply the classifier to a series of test structures and one real protein, showing that it identifies the conformational transition with >95% accuracy in most cases. A nontrivial feature of our adaptation is a new connection to information entropy that allows us to vary the level of structural detail without spoiling the categorization. This is confirmed by comparing results as the number of atoms and time-samples are varied over 1.5 orders of magnitude. Further, the method’s derivation from Bayesian analysis on the set of inter-atomic contacts makes it easy to understand and extend to more complex cases.

97 MATHEMATICS AND COMPUTING↗

Minimum Bayes risk image correlation

In this paper, the problem of designing a matched filter for image correlation will be treated as a statistical pattern recognition problem. It is shown that, by minimizing a suitable criterion, a matched filter can be estimated which approximates the optimum Bayes discriminant function in a least-squares sense. It is well known that the use of the Bayes discriminant function in target classification minimizes the Bayes risk, which in turn directly minimizes the probability of a false fix. A fast Fourier implementation of the minimum Bayes risk correlation procedure is described.

Minter, T. C., Jr.↗

Impact of LANDSAT MSS Sensor Differences on Change Detection Analysis

Change detection techniques were used to pinpoint differences in the multispectral band scanners on LANDSAT 2, 3, and 4 satellites. The method of analysis was to co-register 512 by 512 pixel subwindows for all data pairs followed by scattergram generation and analysis. In all cases, the LANDSAT-4 data were used as the base to which other images were registered. There appear to be no major problems preventing use of LANDSAT-4 MSS with previous MSS sensors for charge detection, provided the interference noise can be removed or minimized. This noise may result in detection of spurious changes, as well as affect other uses of the data, including image classification. Analysis of dark (water and forests), rather than light features will be most impacted because the noise will form a higher percentage of the total response at low DN values. Any data normalizations for change detection should be based upon the data, rather than solely upon calibration information. While the observed relative radiometric transfer function between LANDSAT 3 and 4 was approximately as predicted, there were still significant deviations. Normalizing based upon data content also can have the advantage of allowing simultaneous normalization of the atmosphere as well as the radiometry.

Likens, W. C.↗

Motion Planning Algorithms for Safety and Quantum Computing Efficiency

Motion planning remains a fundamental problem in robotics. Sampling-based algorithms use randomization to allow efficient solutions to this complex problem. As mobile robots and autonomous vehicles become more prevalent in everyday life, motion planning must be applied to increasingly challenging scenarios. Safety has become a paramount concern in motion planning for ensuring robotic applications enrich human lives. To date, many motion planning techniques to increase safety in the face of uncertain and dynamic environments have been developed. This dissertation first addresses distributional safety of Rapidly-Exploring Random Trees (RRT) through our algorithm W-Safe RRT. To acknowledge distributional uncertainty and poor modeling, W-Safe RRT uses the Wasserstein metric to provide a probabilistic bound on the distributional distance between a robot and obstacles. Human-interpretable environmental agent classification allows online safety margin adaptation. We propose and analyze an integrating region method for online classification that increases actor labeling accuracy based on behavioral feature values when compared to state of the art methods. The method performs class assignments based on local maximum likelihood in a created behavioral feature-space, allowing a notion of classification uncertainty. Model-based methods with safety guarantees can quickly become computationally in tractable, especially with multiple agents, higher dimensions, and plentiful unknowns. Sampling based algorithms have been parallelized for computation with multi-core computers and GPUs. We consider the use of quantum algorithms and computers for sampling-based motion planning for the first time. Quantum computing performs operations on superpositions of states and can solve certain problems much more efficiently than classical computers, but introduces previously unseen challenges. With Quantum-RRT, we recast the motion planning problem into a database-search structure and use Quantum Amplitude Amplification to find reachable states in the database with a quadratic performance increase over classical methods. We address two error sources with this method: quantum measurement and quantum oracle errors. We then extend this method to Parallel Quantum-RRT, which uses a manager-worker architecture with multiple parallel quantum workers to increase database search efficiency. We compare algorithm architectures and characterize probabilities of multiple workers finding solutions. Lastly, we test in simulation the quantum algorithms against classical versions in a wide variety of scenarios, concluding that a similar parallelization improvement is to be found in the quantum case as was found in the parallelization of classical RRT.

97 MATHEMATICS AND COMPUTING↗

Single-class classification

Often, when classifying multispectral data, only one class or crop is of interest, such as wheat in the Large Area Crop Inventory Experiment (LACIE). Usual procedures for designing a Bayes classifier require that labeled training samples and therefore ground truth be available for the 'class of interest' plus all confusion classes defined by the multispectral data. This paper will consider the problem of designing a two-class Bayes classifier which will classify data into the 'class of interest' or the 'other' classes but will require only labeled training samples from the 'class of interest' to design the classifier. Thus, this classifier minimizes the need for ground truth. For these reasons, the classifier is referred to as a single-class classifier. A procedure for evaluating the overall performance of the single-class classifier in terms of the probability of error will be discussed.

Minter, T. C.↗

Wasserstein normalized autoencoder for anomaly detection

A novel anomaly detection algorithm is presented. The Wasserstein normalized autoencoder (WNAE) is a normalized probabilistic model that minimizes the Wasserstein distance between the learned probability distribution—a Boltzmann distribution where the energy is the reconstruction error of the autoencoder (AE)—and the distribution of the training data. This algorithm has been developed and applied to the identification of semivisible jets—conical sprays of visible standard model (SM) particles and invisible dark matter states—with the CMS experiment at the CERN LHC. Trained on jets of particles from simulated SM processes, the WNAE is shown to learn the probability distribution of the input data in a fully unsupervised fashion, such that it effectively identifies new physics jets as anomalies. The model exhibits stable, convergent training and recovers strong classification performance for a wide range of signals against the selected background process, for which a standard AE fails because of outlier reconstruction. In addition, the model improves upon standard normalized autoencoders while remaining fully agnostic to the signal. The WNAE directly tackles the problem of outlier reconstruction, a common failure mode of autoencoders in anomaly detection tasks.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗

Clusters of galaxies

Observational properties of clusters of galaxies and some theoretical interpretations are reviewed. The major subjects of the review include catalogs of clusters, the static properties of rich clusters, cluster dynamics, X-ray emission from clusters of galaxies, and cluster radio emission. Observed static properties discussed are: richness, classification schemes, galactic content, cD galaxies, density profiles, sizes, and the optical luminosity function. Several characteristic time scales of clusters of galaxies are examined along with mass segregation, the dynamical evolution of clusters, cluster masses, mass-to-light ratios, the missing-mass problem, and the mean galactic and cluster mass densities in the universe. The main characteristics of clusters that contain X-ray emission are summarized, emphasizing the relation of the X-ray emission to optical properties. The most important properties of cluster radio emission are outlined, the relation of this emission to the other cluster properties studied is indicated, and evidence suggesting the influence of an intracluster gas on the radio galaxies and their relativistic electrons is noted.

Bahcall, N. A.↗

A review and analysis of neural networks for classification of remotely sensed multispectral imagery

A literature survey and analysis of the use of neural networks for the classification of remotely sensed multispectral imagery is presented. As part of a brief mathematical review, the backpropagation algorithm, which is the most common method of training multi-layer networks, is discussed with an emphasis on its application to pattern recognition. The analysis is divided into five aspects of neural network classification: (1) input data preprocessing, structure, and encoding; (2) output encoding and extraction of classes; (3) network architecture, (4) training algorithms; and (5) comparisons to conventional classifiers. The advantages of the neural network method over traditional classifiers are its non-parametric nature, arbitrary decision boundary capabilities, easy adaptation to different types of data and input structures, fuzzy output values that can enhance classification, and good generalization for use with multiple images. The disadvantages of the method are slow training time, inconsistent results due to random initial weights, and the requirement of obscure initialization values (e.g., learning rate and hidden layer size). Possible techniques for ameliorating these problems are discussed. It is concluded that, although the neural network method has several unique capabilities, it will become a useful tool in remote sensing only if it is made faster, more predictable, and easier to use.

Paola, Justin D.↗

Joint Characterization of Vegetation by Satellite Observations from Visible to Microwave Wavelengths - A Sensitivity Analysis

This study presents an evaluation and comparison of visible, near-infrared, passive, and active microwave observations for vegetation characterization on a global basis for a year, with spatial resolution compatible with climatological studies. Visible and near-infrared observations along with the Normalized Difference Vegetation Index come from the Advanced Very High Resolution Radiometer. An atlas of monthly mean microwave land surface emissivities from 19 to 85 GHz has been calculated from the Special Sensor Microwave/Imager for a year, suppressing the atmospheric problems encountered with the use of simple channel combinations. The active microwave measurements are provided by the ERS-1 scatterometer at 5.25 GHz. The capacity to discriminate between vegetation types and to detect the vegetation phenology is assessed in the context of a vegetation classification obtained from in situ observations. A clustering technique derived from the Kohonen topological maps is used to merge the three data sets and interpret their relative variations. NDVI varies with vegetation density but is not very sensitive in semiarid environments and in forested areas. Spurious seasonal cycles and large spatial variability in several areas suggest that atmospheric contamination and/or solar zenith angle drift still affect the NDVI.

NORMALIZED DIFFERENCE VEGETATIVE INDEX↗

The Ten-Ecosystem Study - Landsat ADP mapping of forest and rangeland in the United States

The Ten-Ecosystem Study was designed to assess the maximum information content of Landsat data and its utility for large area classification using a uniform technical approach on the 10 generalized forest and rangeland ecosystems of the United States. Conclusions on the feasibility of using Landsat remote sensing automatic data processing methods, selecting the best seasons, analyzing costs and the effects of site complexity, miscellaneous analysis, problems, and recommendations were derived from 2 years of study, the project being three-fourths completed.

Kan, E. P.↗

Engineering derivatives from biological systems for advanced aerospace applications

The present study consisted of a literature survey, a survey of researchers, and a workshop on bionics. These tasks produced an extensive annotated bibliography of bionics research (282 citations), a directory of bionics researchers, and a workshop report on specific bionics research topics applicable to space technology. These deliverables are included as Appendix A, Appendix B, and Section 5.0, respectively. To provide organization to this highly interdisciplinary field and to serve as a guide for interested researchers, we have also prepared a taxonomy or classification of the various subelements of natural engineering systems. Finally, we have synthesized the results of the various components of this study into a discussion of the most promising opportunities for accelerated research, seeking solutions which apply engineering principles from natural systems to advanced aerospace problems. A discussion of opportunities within the areas of materials, structures, sensors, information processing, robotics, autonomous systems, life support systems, and aeronautics is given. Following the conclusions are six discipline summaries that highlight the potential benefits of research in these areas for NASA's space technology programs.

Winfield, Daniel L.↗

Neurosymbolic Hybrid Approach to Driver Collision Warning

There are two main algorithmic approaches to autonomous driving systems: (1) An end-to-end system in which a single deep neural network learns to map sensory input directly into appropriate warning and driving responses. (2) A mediated hybrid recognition system in which a system is created by combining independent modules that detect each semantic feature. While some researchers believe that deep learning can solve any problem, others believe that a more engineered and symbolic approach is needed to cope with complex environments with less data. Deep learning alone has achieved state-of-the-art results in many areas, from complex gameplay to predicting protein structures. In particular, in image classification and recognition, deep learning models have achieved accuracies as high as humans. But sometimes it can be very difficult to debug if the deep learning model doesn't work. Deep learning models can be vulnerable and are very sensitive to changes in data distribution. Generalization can be problematic. It's usually hard to prove why it works or doesn't. Deep learning models can also be vulnerable to adversarial attacks. Here, we combine deep learning-based object recognition and tracking with an adaptive neurosymbolic network agent, called the Non-Axiomatic Reasoning System (NARS), that can adapt to its environment by building concepts based on perceptual sequences. We achieved an improved intersection-over-union (IOU) object recognition performance of 0.65 in the adaptive retraining model compared to IOU 0.31 in the COCO data pre-trained model. We improved the object detection limits using RADAR sensors in a simulated environment, and demonstrated the weaving car detection capability by combining deep learning-based object detection and tracking with a neurosymbolic model.

Wang, Pei↗

Use and applicability of the vegetation component of the national site classification system

Existing vegetation on a site in Sumter National Forest, South Carolina was classified using high altitude aerial optical bar color infrared photography in an effort to determine if the National Site Classification (NSC) system could be used in the heterogeneously forested southeastern United States where it had not previously been used. Results show that the revised UNESCO international classification and mapping of vegetation system, as incorporated into the NSCS, is general enough at the higher levels and specific enough at the lower levels to adequately accommodate densely forested, heterogeneous areas as well as the larger, more homogeneous regions of the Pacific Northwest. The major problem is of existing vegetation versus natural vegetation.

Clark, C. A.↗

On the utilization of engineering knowledge in design optimization

Some current research work conducted at the University of Michigan is described to illustrate efforts for incorporating knowledge in optimization in a nontraditional way. The incorporation of available knowledge in a logic structure is examined in two circumstances. The first examines the possibility of introducing global design information in a local active set strategy implemented during the iterations of projection-type algorithms for nonlinearly constrained problems. The technique used algorithms for nonlinearly constrained problems. The technique used combines global and local monotinicity analysis of the objective and constraint functions. The second examines a knowledge-based program which aids the user to create condigurations that are most desirable from the manufacturing assembly viewpoint. The data bank used is the classification scheme suggested by Boothroyd. The important aspect of this program is that it is an aid for synthesis intended for use in the design concept phase in a way similar to the so-called idea-triggers in creativity-enhancement techniques like brain-storming. The idea generation, however, is not random but it is driven by the goal of achieving the best acceptable configuration.

Papalambros, P.↗