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At least 91 records · Page 5

Decision-Tree Program

IND computer program introduces Bayesian and Markov/maximum-likelihood (MML) methods and more-sophisticated methods of searching in growing trees. Produces more-accurate class-probability estimates important in applications like diagnosis. Provides range of features and styles with convenience for casual user, fine-tuning for advanced user or for those interested in research. Consists of four basic kinds of routines: data-manipulation, tree-generation, tree-testing, and tree-display. Written in C language.

Buntine, Wray↗

Automated Proton Track Identification in MicroBooNE Using Gradient Boosted Decision Trees

MicroBooNE is a liquid argon time projection chamber (LArTPC) neutrino experiment that is currently running in the Booster Neutrino Beam at Fermilab. LArTPC technology allows for high-resolution, three-dimensional representations of neutrino interactions. A wide variety of software tools for automated reconstruction and selection of particle tracks in LArTPCs are actively being developed. Short, isolated proton tracks, the signal for low- momentum-transfer neutral current (NC) elastic events, are easily hidden in a large cosmic background. Detecting these low-energy tracks will allow us to probe interesting regions of the proton's spin structure. An effective method for selecting NC elastic events is to combine a highly efficient track reconstruction algorithm to find all candidate tracks with highly accurate particle identification using a machine learning algorithm. We present our work on particle track classification using gradient tree boosting software (XGBoost) and the performance on simulated neutrino data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Machine learning models for rat multigeneration reproductive toxicity prediction

Reproductive toxicity is one of the prominent endpoints in the risk assessment of environmental and industrial chemicals. Due to the complexity of the reproductive system, traditional reproductive toxicity testing in animals, especially guideline multigeneration reproductive toxicity studies, take a long time and are expensive. Therefore, machine learning, as a promising alternative approach, should be considered when evaluating the reproductive toxicity of chemicals. We curated rat multigeneration reproductive toxicity testing data of 275 chemicals from ToxRefDB (Toxicity Reference Database) and developed predictive models using seven machine learning algorithms (decision tree, decision forest, random forest, k-nearest neighbors, support vector machine, linear discriminant analysis, and logistic regression). A consensus model was built based on the seven individual models. An external validation set was curated from the COSMOS database and the literature. The performances of individual and consensus models were evaluated using 500 iterations of 5-fold cross-validations and the external validation data set. The balanced accuracy of the models ranged from 58% to 65% in the 5-fold cross-validations and 45%–61% in the external validations. Prediction confidence analysis was conducted to provide additional information for more appropriate applications of the developed models. The impact of our findings is in increasing confidence in machine learning models. We demonstrate the importance of using consensus models for harnessing the benefits of multiple machine learning models (i.e., using redundant systems to check validity of outcomes). While we continue to build upon the models to better characterize weak toxicants, there is current utility in saving resources by being able to screen out strong reproductive toxicants before investing in vivo testing. The modeling approach (machine learning models) is offered for assessing the rat multigeneration reproductive toxicity of chemicals. Our results suggest that machine learning may be a promising alternative approach to evaluate the potential reproductive toxicity of chemicals.

consensus model↗

Categorizing An Explosive Device by its Nuclear Signature (Rev. 1)

This report documents a study to eliminate ambiguity in identifying a very low-yield nuclear detonation in the early stages of the response to such an event. The ambiguity arises from the very similar explosive and radiation effects produced by three categories of explosive devices: An explosively driven radiological dispersal device (RDD) or an accidental explosion in which radiologic material is scattered by chemical explosives. A failed nuclear device in which nuclear material, such as uranium or plutonium, has been scattered by conventional explosives. A nuclear device that, in addition to scattering nuclear material, produced a very low-yield from nuclear fission. The study found that the properties of fission products provide a ready solution to the problem. The radiation dose rate from fission products that were produced in a nearly instantaneous “fission event” decreases extremely rapidly over the first eight hours after that event, whereas nuclear materials and common radiological materials produce an essentially constant dose rate. This contrast provides an unequivocal fission product signature. The measurements required to utilize this signature can be made by first responders with radiation detectors already in the field, on time scales of an hour, although later confirmation using more capable detectors, including spectroscopic capability, is advised. The process of categorizing an explosives-related incident, both pre- and post-detonation, can be represented as a Decision Tree. The Decision Tree illustrates the use of already-fielded radiation detectors to categorize incidents as likely to involve only conventional explosives, an explosively driven RDD, or a nuclear device. The identification of an explosion as a fission event is extremely important to evacuation planners. It has been shown that delayed evacuation after sheltering in place for up to 24 hours after a fission event has the potential to reduce radiation exposure to the affected public and responders by a factor of ten. Traditional evidence collection after a nuclear detonation is likely to be similarly delayed, as the value and urgency of collection efforts must be weighed against radiation and other hazardous exposure of the collectors. The evidence that survives the immediate effects of a nuclear detonation will, in many cases, still be available for collection once radiation levels have diminished to acceptable levels. Certain classes of evidence, notably information stored on digital media, may significantly degrade from exposure to post-detonation radiation fields. Technical nuclear forensics collections will be performed in all events with nuclear yield. Modification of the high-yield collection strategy may be necessary for a very low-yield device.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

PVEX: An expert system for producibility/value engineering

PVEX is described as an expert system that solves the problem of selection of the material and process in missile manufacturing. The producibility and the value problem has been deeply studied in the past years, and was written in dBase III and PROLOG before. A new approach is presented in that the solution is achieved by introducing hypothetical reasoning, heuristic criteria integrated with a simple hypertext system and shell programming. PVEX combines KMS with Unix scripts which graphically depicts decision trees. The decision trees convey high level qualitative problem solving knowledge to users, and a stand-alone help facility and technical documentation is available through KMS. The system developed is considerably less development costly than any other comparable expert system.

Lam, Chun S.↗

Decision Analysis Methods For the Analysis of Nuclear Terrorism Threats with Imperfect Information

Protection of commercial nuclear fuel cycles against adversary groups who may attempt to steal weapons-usable material is an issue of interest to the U.S. Department of Energy, Office of Nuclear Energy. The wide array of potential nuclear fuel cycle configurations and the security measures that could be deployed to protect them pose a daunting system design problem. In general, there are billions of potential design configurations. Moreover, the design choices are not independent – the effectiveness of one design feature or security measure can affect the desirability of other design choices. To explore this issue, we develop a mixed-integer optimization problem that solves a complex decision tree to allocate security resources across a commercial nuclear fuel cycle configuration. A nominal UREX+ reprocessing facility is used to demonstrate how the model allocates resources across a particular fuel cycle facility and shows how the problem can be scaled up to include other facilities and design features in the fuel cycle. In our model, the defender first chooses a set of safeguards to implement in order to mitigate the risk of a terrorist theft from various unit operations in the reprocessing facility. The attacker observes the defender’s strategy choice and executes an attack to acquire material, including the possibility of declining to attack at all. The model considers the terrorist as an intelligent adversary with a set of attack strategies known to the defender. The strategic choices made by both the defender and attacker affect the probability of a successful attack by the terrorist and in turn affect the distribution of consequences to the defender. We use a decision tree to illustrate the interactions among costs, decisions, correlated uncertainties, and outcomes, and then show how to formulate the problem as a mixed-integer program with an equivalent solution. The novel features of our formulation include the following. First, as discussed above, we use a sequential game-theoretic formulation (a Stackelberg game). This formulation assumes the attacker can observe the defender’s actions before the attack is executed. Many previous game-theoretic studies have assumed attacker and defender act simultaneously without knowledge of the other’s strategy choice. We believe the sequential game formulation is more applicable for knowledgeable insider adversaries, the focus of this study. Second, we build on our previous work that has developed a methodology to reflect the correlation among probability distributions represented as discrete chance nodes in a decision tree. We illustrate how this methodology can be applied to two chance nodes in a decision tree that relate the quality of the materials that might be stolen or diverted by an adversary with the yield of a weapon that might be constructed from that material. In a decision tree, the dependence of the yield on the quality of the material could be modeled with conditional probabilities of the weapon yield given the quality of the materials obtained. For three outcome discretizations, this would require the assessment of nine conditional probabilities from domain experts as part of the model building effort. In contrast, our methodology will allow this same representation of the tree based on the assessment of the correlation between these two chance nodes by the experts, which we believe is a much easier and more reliable assessment task. The advantage of this approach increases as the number of dependent chance nodes grows in a decision tree representation of this problem. Third, we extend this approach to the approximation of the dependence between discrete binary events such as success or failure represented by binary chance nodes in a decision tree or in the special case of a probabilistic risk analysis (PRA) based on an event tree. This extension is a novel application in this domain, and uses Monte Carlo simulation to determine the appropriate conditional probabilities on the binary chance nodes when the number of correlated uncertainties is more than two. Fourth, we show how these decision trees or probability trees can be formulated and solved as equivalent integer programming (IP) problems. The advantages of the IP representation include the opportunity to use the computing power associated with powerful optimization solver algorithms available on high speed computers to solve very large versions of these trees, and the ability to include several such models of different facilities into a much larger IP with connecting constraints that represent budget restrictions, number of available inspection opportunities in a given time window, or other dependencies among these facilities. Policy makers can use the resulting model to inform their decisions about how to assess terrorism risk and to safeguard the commercial nuclear fuel cycle.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Interpretable Categorization of Heterogeneous Time Series Data

We analyze data from simulated aircraft encounters to validate and inform the development of a prototype aircraft collision avoidance system. The high-dimensional and heterogeneous time series dataset is analyzed to discover properties of near mid-air collisions (NMACs) and categorize the NMAC encounters. Domain experts use these properties to better organize and understand NMAC occurrences. Existing solutions either are not capable of handling high-dimensional and heterogeneous time series datasets or do not provide explanations that are interpretable by a domain expert. The latter is critical to the acceptance and deployment of safety-critical systems. To address this gap, we propose grammar-based decision trees along with a learning algorithm. Our approach extends decision trees with a grammar framework for classifying heterogeneous time series data. A context-free grammar is used to derive decision expressions that are interpretable, application-specific, and support heterogeneous data types. In addition to classification, we show how grammar-based decision trees can also be used for categorization, which is a combination of clustering and generating interpretable explanations for each cluster. We apply grammar-based decision trees to a simulated aircraft encounter dataset and evaluate the performance of four variants of our learning algorithm. The best algorithm is used to analyze and categorize near mid-air collisions in the aircraft encounter dataset. We describe each discovered category in detail and discuss its relevance to aircraft collision avoidance.

Drones↗

Automated rule-base creation via CLIPS-Induce

Many CLIPS rule-bases contain one or more rule groups that perform classification. In this paper we describe CLIPS-Induce, an automated system for the creation of a CLIPS classification rule-base from a set of test cases. CLIPS-Induce consists of two components, a decision tree induction component and a CLIPS production extraction component. ID3, a popular decision tree induction algorithm, is used to induce a decision tree from the test cases. CLIPS production extraction is accomplished through a top-down traversal of the decision tree. Nodes of the tree are used to construct query rules, and branches of the tree are used to construct classification rules. The learned CLIPS productions may easily be incorporated into a large CLIPS system that perform tasks such as accessing a database or displaying information.

Murphy, Patrick M.↗

Evaluation and Comparison of Machine Learning Techniques for Rapid QSTS Simulations

Rapid and accurate quasi-static time series (QSTS) analysis is becoming increasingly important for distribution system analysis as the complexity of the distribution system intensifies with the addition of new types, and quantities, of distributed energy resources (DER). The expanding need for hosting capacity analysis, control systems analysis, photovoltaic (PV) and DER impact analysis, and maintenance cost estimations are just a few reasons that QSTS is necessary. Historically, QSTS analysis has been prohibitively slow due to the number of computations required for a full-year analysis. Therefore, new techniques are required that allow QSTS analysis to rapidly be performed for many different use cases. This research demonstrates a novel approach to doing rapid QSTS analysis for analyzing the number of voltage regulator tap changes in a distribution system with PV components. A representative portion of a yearlong dataset is selected and QSTS analysis is performed to determine the number of tap changes, and this is used as training data for a machine learning algorithm. The machine learning algorithm is then used to predict the number of tap changes in the remaining portion of the year not analyzed directly with QSTS. The predictions from the machine learning algorithms are combined with the results of the partial year simulation for a final prediction for the entire year, with the goal of maintaining an error <10% on the full-year prediction. Five different machine learning techniques were evaluated and compared with each other; a neural network ensemble, a random forest decision tree ensemble, a boosted decision tree ensemble, support vector machines, and a convolutional neural network deep learning technique. A combination of the neural network ensemble together with the random forest produced the best results. Using 20% of the year as training data, analyzed with QSTS, the average performance of the technique resulted in ~2.5% error in the yearly tap changes, while maintaining a <10% 99.9 th percentile error bound on the results. This is a 5x speedup compared to a standard, full-length QSTS simulation. These results demonstrate the potential for applying machine learning techniques to facilitate modern distribution system analysis and further integration of distributed energy resources into the power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

FORESTR: Finding, Organizing, Representing, Explaining, Summarizing, and Thinning Random forests

Random forests have become popular models used for data driven predictions. As a result, random forests are currently used or being considered for high-consequence mission applications in national security, such as the prediction of yield from optical signals and malware detection. While random forests may provide accurate predictions, the complexity of the algorithm causes a lack of interpretability. Random forests are an ensemble of regression or decision trees. Individual regression and decision trees are interpretable, but ensembles are inherently difficult to interpret due to the compilation of many models. We aim to increase the interpretability of random forests by finding patterns in the ensemble of trees that can be used to “thin” (or remove) trees. As a starting point, in this report, we develop a new distance metric for quantifying the similarity between trees based on their topologies (i.e., shapes). We base the metric on a novel distance metric for graphs that is a proper mathematical distance, is invariant to transformations, has registration between graphs, and computes topological evolutions between graphs. We use the tree distance metric to compute tree statistics such as a “mean tree” and to identify clusters of trees. We apply the developed methodology to a toy dataset and a mission relevant product inspection dataset to demonstrate how the metric can provide insight into random forests. Furthermore, we discuss the limitations of the approach and ideas for future research into how the metric could be used as a thinning tool to develop less complex models.

97 MATHEMATICS AND COMPUTING↗

Machine Learning-Based Classification of Lignocellulosic Biomass from Pyrolysis-Molecular Beam Mass Spectrometry Data

High-throughput analysis of biomass is necessary to ensure consistent and uniform feedstocks for agricultural and bioenergy applications and is needed to inform genomics and systems biology models. Pyrolysis followed by mass spectrometry such as molecular beam mass spectrometry (py-MBMS) analyses are becoming increasingly popular for the rapid analysis of biomass cell wall composition and typically require the use of different data analysis tools depending on the need and application. Here, the authors report the py-MBMS analysis of several types of lignocellulosic biomass to gain an understanding of spectral patterns and variation with associated biomass composition and use machine learning approaches to classify, differentiate, and predict biomass types on the basis of py-MBMS spectra. Py-MBMS spectra were also corrected for instrumental variance using generalized linear modeling (GLM) based on the use of select ions relative abundances as spike-in controls. Machine learning classification algorithms e.g., random forest, k-nearest neighbor, decision tree, Gaussian Naïve Bayes, gradient boosting, and multilayer perceptron classifiers were used. The k-nearest neighbors (k-NN) classifier generally performed the best for classifications using raw spectral data, and the decision tree classifier performed the worst. After normalization of spectra to account for instrumental variance, all the classifiers had comparable and generally acceptable performance for predicting the biomass types, although the k-NN and decision tree classifiers were not as accurate for prediction of specific sample types. Gaussian Naïve Bayes (GNB) and extreme gradient boosting (XGB) classifiers performed better than the k-NN and the decision tree classifiers for the prediction of biomass mixtures. The data analysis workflow reported here could be applied and extended for comparison of biomass samples of varying types, species, phenotypes, and/or genotypes or subjected to different treatments, environments, etc. to further elucidate the sources of spectral variance, patterns, and to infer compositional information based on spectral analysis, particularly for analysis of data without a priori knowledge of the feedstock composition or identity.

59 BASIC BIOLOGICAL SCIENCES↗