A machine learning approach for predicting the relationship between energy resources and economic development

NASA Astrophysics Data System (ADS)

Cogoljević, Dušan; Alizamir, Meysam; Piljan, Ivan; Piljan, Tatjana; Prljić, Katarina; Zimonjić, Stefan

2018-04-01

The linkage between energy resources and economic development is a topic of great interest. Research in this area is also motivated by contemporary concerns about global climate change, carbon emissions fluctuating crude oil prices, and the security of energy supply. The purpose of this research is to develop and apply the machine learning approach to predict gross domestic product (GDP) based on the mix of energy resources. Our results indicate that GDP predictive accuracy can be improved slightly by applying a machine learning approach.

Automation of energy demand forecasting

NASA Astrophysics Data System (ADS)

Siddique, Sanzad

Automation of energy demand forecasting saves time and effort by searching automatically for an appropriate model in a candidate model space without manual intervention. This thesis introduces a search-based approach that improves the performance of the model searching process for econometrics models. Further improvements in the accuracy of the energy demand forecasting are achieved by integrating nonlinear transformations within the models. This thesis introduces machine learning techniques that are capable of modeling such nonlinearity. Algorithms for learning domain knowledge from time series data using the machine learning methods are also presented. The novel search based approach and the machine learning models are tested with synthetic data as well as with natural gas and electricity demand signals. Experimental results show that the model searching technique is capable of finding an appropriate forecasting model. Further experimental results demonstrate an improved forecasting accuracy achieved by using the novel machine learning techniques introduced in this thesis. This thesis presents an analysis of how the machine learning techniques learn domain knowledge. The learned domain knowledge is used to improve the forecast accuracy.

Moving beyond regression techniques in cardiovascular risk prediction: applying machine learning to address analytic challenges.

PubMed

Goldstein, Benjamin A; Navar, Ann Marie; Carter, Rickey E

2017-06-14

Risk prediction plays an important role in clinical cardiology research. Traditionally, most risk models have been based on regression models. While useful and robust, these statistical methods are limited to using a small number of predictors which operate in the same way on everyone, and uniformly throughout their range. The purpose of this review is to illustrate the use of machine-learning methods for development of risk prediction models. Typically presented as black box approaches, most machine-learning methods are aimed at solving particular challenges that arise in data analysis that are not well addressed by typical regression approaches. To illustrate these challenges, as well as how different methods can address them, we consider trying to predicting mortality after diagnosis of acute myocardial infarction. We use data derived from our institution's electronic health record and abstract data on 13 regularly measured laboratory markers. We walk through different challenges that arise in modelling these data and then introduce different machine-learning approaches. Finally, we discuss general issues in the application of machine-learning methods including tuning parameters, loss functions, variable importance, and missing data. Overall, this review serves as an introduction for those working on risk modelling to approach the diffuse field of machine learning. © The Author 2016. Published by Oxford University Press on behalf of the European Society of Cardiology.

Machine Learning Approaches in Cardiovascular Imaging.

PubMed

Henglin, Mir; Stein, Gillian; Hushcha, Pavel V; Snoek, Jasper; Wiltschko, Alexander B; Cheng, Susan

2017-10-01

Cardiovascular imaging technologies continue to increase in their capacity to capture and store large quantities of data. Modern computational methods, developed in the field of machine learning, offer new approaches to leveraging the growing volume of imaging data available for analyses. Machine learning methods can now address data-related problems ranging from simple analytic queries of existing measurement data to the more complex challenges involved in analyzing raw images. To date, machine learning has been used in 2 broad and highly interconnected areas: automation of tasks that might otherwise be performed by a human and generation of clinically important new knowledge. Most cardiovascular imaging studies have focused on task-oriented problems, but more studies involving algorithms aimed at generating new clinical insights are emerging. Continued expansion in the size and dimensionality of cardiovascular imaging databases is driving strong interest in applying powerful deep learning methods, in particular, to analyze these data. Overall, the most effective approaches will require an investment in the resources needed to appropriately prepare such large data sets for analyses. Notwithstanding current technical and logistical challenges, machine learning and especially deep learning methods have much to offer and will substantially impact the future practice and science of cardiovascular imaging. © 2017 American Heart Association, Inc.

Informatics and machine learning to define the phenotype.

PubMed

Basile, Anna Okula; Ritchie, Marylyn DeRiggi

2018-03-01

For the past decade, the focus of complex disease research has been the genotype. From technological advancements to the development of analysis methods, great progress has been made. However, advances in our definition of the phenotype have remained stagnant. Phenotype characterization has recently emerged as an exciting area of informatics and machine learning. The copious amounts of diverse biomedical data that have been collected may be leveraged with data-driven approaches to elucidate trait-related features and patterns. Areas covered: In this review, the authors discuss the phenotype in traditional genetic associations and the challenges this has imposed.Approaches for phenotype refinement that can aid in more accurate characterization of traits are also discussed. Further, the authors highlight promising machine learning approaches for establishing a phenotype and the challenges of electronic health record (EHR)-derived data. Expert commentary: The authors hypothesize that through unsupervised machine learning, data-driven approaches can be used to define phenotypes rather than relying on expert clinician knowledge. Through the use of machine learning and an unbiased set of features extracted from clinical repositories, researchers will have the potential to further understand complex traits and identify patient subgroups. This knowledge may lead to more preventative and precise clinical care.

Predicting hydrofacies and hydraulic conductivity from direct-push data using a data-driven relevance vector machine approach: Motivations, algorithms, and application

NASA Astrophysics Data System (ADS)

Paradis, Daniel; Lefebvre, René; Gloaguen, Erwan; Rivera, Alfonso

2015-01-01

The spatial heterogeneity of hydraulic conductivity (K) exerts a major control on groundwater flow and solute transport. The heterogeneous spatial distribution of K can be imaged using indirect geophysical data as long as reliable relations exist to link geophysical data to K. This paper presents a nonparametric learning machine approach to predict aquifer K from cone penetrometer tests (CPT) coupled with a soil moisture and resistivity probe (SMR) using relevance vector machines (RVMs). The learning machine approach is demonstrated with an application to a heterogeneous unconsolidated littoral aquifer in a 12 km2 subwatershed, where relations between K and multiparameters CPT/SMR soundings appear complex. Our approach involved fuzzy clustering to define hydrofacies (HF) on the basis of CPT/SMR and K data prior to the training of RVMs for HFs recognition and K prediction on the basis of CPT/SMR data alone. The learning machine was built from a colocated training data set representative of the study area that includes K data from slug tests and CPT/SMR data up-scaled at a common vertical resolution of 15 cm with K data. After training, the predictive capabilities of the learning machine were assessed through cross validation with data withheld from the training data set and with K data from flowmeter tests not used during the training process. Results show that HF and K predictions from the learning machine are consistent with hydraulic tests. The combined use of CPT/SMR data and RVM-based learning machine proved to be powerful and efficient for the characterization of high-resolution K heterogeneity for unconsolidated aquifers.

Application of Machine Learning Approaches for Protein-protein Interactions Prediction.

PubMed

Zhang, Mengying; Su, Qiang; Lu, Yi; Zhao, Manman; Niu, Bing

2017-01-01

Proteomics endeavors to study the structures, functions and interactions of proteins. Information of the protein-protein interactions (PPIs) helps to improve our knowledge of the functions and the 3D structures of proteins. Thus determining the PPIs is essential for the study of the proteomics. In this review, in order to study the application of machine learning in predicting PPI, some machine learning approaches such as support vector machine (SVM), artificial neural networks (ANNs) and random forest (RF) were selected, and the examples of its applications in PPIs were listed. SVM and RF are two commonly used methods. Nowadays, more researchers predict PPIs by combining more than two methods. This review presents the application of machine learning approaches in predicting PPI. Many examples of success in identification and prediction in the area of PPI prediction have been discussed, and the PPIs research is still in progress. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Paradigms for machine learning

NASA Technical Reports Server (NTRS)

Schlimmer, Jeffrey C.; Langley, Pat

1991-01-01

Five paradigms are described for machine learning: connectionist (neural network) methods, genetic algorithms and classifier systems, empirical methods for inducing rules and decision trees, analytic learning methods, and case-based approaches. Some dimensions are considered along with these paradigms vary in their approach to learning, and the basic methods are reviewed that are used within each framework, together with open research issues. It is argued that the similarities among the paradigms are more important than their differences, and that future work should attempt to bridge the existing boundaries. Finally, some recent developments in the field of machine learning are discussed, and their impact on both research and applications is examined.

Machine learning for epigenetics and future medical applications.

PubMed

Holder, Lawrence B; Haque, M Muksitul; Skinner, Michael K

2017-07-03

Understanding epigenetic processes holds immense promise for medical applications. Advances in Machine Learning (ML) are critical to realize this promise. Previous studies used epigenetic data sets associated with the germline transmission of epigenetic transgenerational inheritance of disease and novel ML approaches to predict genome-wide locations of critical epimutations. A combination of Active Learning (ACL) and Imbalanced Class Learning (ICL) was used to address past problems with ML to develop a more efficient feature selection process and address the imbalance problem in all genomic data sets. The power of this novel ML approach and our ability to predict epigenetic phenomena and associated disease is suggested. The current approach requires extensive computation of features over the genome. A promising new approach is to introduce Deep Learning (DL) for the generation and simultaneous computation of novel genomic features tuned to the classification task. This approach can be used with any genomic or biological data set applied to medicine. The application of molecular epigenetic data in advanced machine learning analysis to medicine is the focus of this review.

Machine learning molecular dynamics for the simulation of infrared spectra.

PubMed

Gastegger, Michael; Behler, Jörg; Marquetand, Philipp

2017-10-01

Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for vibrational anharmonic and dynamical effects - typically neglected by conventional quantum chemistry approaches - we base our machine learning strategy on ab initio molecular dynamics simulations. While these simulations are usually extremely time consuming even for small molecules, we overcome these limitations by leveraging the power of a variety of machine learning techniques, not only accelerating simulations by several orders of magnitude, but also greatly extending the size of systems that can be treated. To this end, we develop a molecular dipole moment model based on environment dependent neural network charges and combine it with the neural network potential approach of Behler and Parrinello. Contrary to the prevalent big data philosophy, we are able to obtain very accurate machine learning models for the prediction of infrared spectra based on only a few hundreds of electronic structure reference points. This is made possible through the use of molecular forces during neural network potential training and the introduction of a fully automated sampling scheme. We demonstrate the power of our machine learning approach by applying it to model the infrared spectra of a methanol molecule, n -alkanes containing up to 200 atoms and the protonated alanine tripeptide, which at the same time represents the first application of machine learning techniques to simulate the dynamics of a peptide. In all of these case studies we find an excellent agreement between the infrared spectra predicted via machine learning models and the respective theoretical and experimental spectra.

A comparison of the stochastic and machine learning approaches in hydrologic time series forecasting

NASA Astrophysics Data System (ADS)

Kim, T.; Joo, K.; Seo, J.; Heo, J. H.

2016-12-01

Hydrologic time series forecasting is an essential task in water resources management and it becomes more difficult due to the complexity of runoff process. Traditional stochastic models such as ARIMA family has been used as a standard approach in time series modeling and forecasting of hydrological variables. Due to the nonlinearity in hydrologic time series data, machine learning approaches has been studied with the advantage of discovering relevant features in a nonlinear relation among variables. This study aims to compare the predictability between the traditional stochastic model and the machine learning approach. Seasonal ARIMA model was used as the traditional time series model, and Random Forest model which consists of decision tree and ensemble method using multiple predictor approach was applied as the machine learning approach. In the application, monthly inflow data from 1986 to 2015 of Chungju dam in South Korea were used for modeling and forecasting. In order to evaluate the performances of the used models, one step ahead and multi-step ahead forecasting was applied. Root mean squared error and mean absolute error of two models were compared.

Comparing machine learning and logistic regression methods for predicting hypertension using a combination of gene expression and next-generation sequencing data.

PubMed

Held, Elizabeth; Cape, Joshua; Tintle, Nathan

2016-01-01

Machine learning methods continue to show promise in the analysis of data from genetic association studies because of the high number of variables relative to the number of observations. However, few best practices exist for the application of these methods. We extend a recently proposed supervised machine learning approach for predicting disease risk by genotypes to be able to incorporate gene expression data and rare variants. We then apply 2 different versions of the approach (radial and linear support vector machines) to simulated data from Genetic Analysis Workshop 19 and compare performance to logistic regression. Method performance was not radically different across the 3 methods, although the linear support vector machine tended to show small gains in predictive ability relative to a radial support vector machine and logistic regression. Importantly, as the number of genes in the models was increased, even when those genes contained causal rare variants, model predictive ability showed a statistically significant decrease in performance for both the radial support vector machine and logistic regression. The linear support vector machine showed more robust performance to the inclusion of additional genes. Further work is needed to evaluate machine learning approaches on larger samples and to evaluate the relative improvement in model prediction from the incorporation of gene expression data.

Evolving autonomous learning in cognitive networks.

PubMed

Sheneman, Leigh; Hintze, Arend

2017-12-01

There are two common approaches for optimizing the performance of a machine: genetic algorithms and machine learning. A genetic algorithm is applied over many generations whereas machine learning works by applying feedback until the system meets a performance threshold. These methods have been previously combined, particularly in artificial neural networks using an external objective feedback mechanism. We adapt this approach to Markov Brains, which are evolvable networks of probabilistic and deterministic logic gates. Prior to this work MB could only adapt from one generation to the other, so we introduce feedback gates which augment their ability to learn during their lifetime. We show that Markov Brains can incorporate these feedback gates in such a way that they do not rely on an external objective feedback signal, but instead can generate internal feedback that is then used to learn. This results in a more biologically accurate model of the evolution of learning, which will enable us to study the interplay between evolution and learning and could be another step towards autonomously learning machines.

Machine Learning Approach to Deconvolution of Thermal Infrared (TIR) Spectrum of Mercury Supporting MERTIS Onboard ESA/JAXA BepiColombo

NASA Astrophysics Data System (ADS)

Varatharajan, I.; D'Amore, M.; Maturilli, A.; Helbert, J.; Hiesinger, H.

2018-04-01

Machine learning approach to spectral unmixing of emissivity spectra of Mercury is carried out using endmember spectral library measured at simulated daytime surface conditions of Mercury. Study supports MERTIS payload onboard ESA/JAXA BepiColombo.

Probability machines: consistent probability estimation using nonparametric learning machines.

PubMed

Malley, J D; Kruppa, J; Dasgupta, A; Malley, K G; Ziegler, A

2012-01-01

Most machine learning approaches only provide a classification for binary responses. However, probabilities are required for risk estimation using individual patient characteristics. It has been shown recently that every statistical learning machine known to be consistent for a nonparametric regression problem is a probability machine that is provably consistent for this estimation problem. The aim of this paper is to show how random forests and nearest neighbors can be used for consistent estimation of individual probabilities. Two random forest algorithms and two nearest neighbor algorithms are described in detail for estimation of individual probabilities. We discuss the consistency of random forests, nearest neighbors and other learning machines in detail. We conduct a simulation study to illustrate the validity of the methods. We exemplify the algorithms by analyzing two well-known data sets on the diagnosis of appendicitis and the diagnosis of diabetes in Pima Indians. Simulations demonstrate the validity of the method. With the real data application, we show the accuracy and practicality of this approach. We provide sample code from R packages in which the probability estimation is already available. This means that all calculations can be performed using existing software. Random forest algorithms as well as nearest neighbor approaches are valid machine learning methods for estimating individual probabilities for binary responses. Freely available implementations are available in R and may be used for applications.

Cognitive learning: a machine learning approach for automatic process characterization from design

NASA Astrophysics Data System (ADS)

Foucher, J.; Baderot, J.; Martinez, S.; Dervilllé, A.; Bernard, G.

2018-03-01

Cutting edge innovation requires accurate and fast process-control to obtain fast learning rate and industry adoption. Current tools available for such task are mainly manual and user dependent. We present in this paper cognitive learning, which is a new machine learning based technique to facilitate and to speed up complex characterization by using the design as input, providing fast training and detection time. We will focus on the machine learning framework that allows object detection, defect traceability and automatic measurement tools.

Predicting the dissolution kinetics of silicate glasses using machine learning

NASA Astrophysics Data System (ADS)

Anoop Krishnan, N. M.; Mangalathu, Sujith; Smedskjaer, Morten M.; Tandia, Adama; Burton, Henry; Bauchy, Mathieu

2018-05-01

Predicting the dissolution rates of silicate glasses in aqueous conditions is a complex task as the underlying mechanism(s) remain poorly understood and the dissolution kinetics can depend on a large number of intrinsic and extrinsic factors. Here, we assess the potential of data-driven models based on machine learning to predict the dissolution rates of various aluminosilicate glasses exposed to a wide range of solution pH values, from acidic to caustic conditions. Four classes of machine learning methods are investigated, namely, linear regression, support vector machine regression, random forest, and artificial neural network. We observe that, although linear methods all fail to describe the dissolution kinetics, the artificial neural network approach offers excellent predictions, thanks to its inherent ability to handle non-linear data. Overall, we suggest that a more extensive use of machine learning approaches could significantly accelerate the design of novel glasses with tailored properties.

Probabilistic machine learning and artificial intelligence.

PubMed

Ghahramani, Zoubin

2015-05-28

How can a machine learn from experience? Probabilistic modelling provides a framework for understanding what learning is, and has therefore emerged as one of the principal theoretical and practical approaches for designing machines that learn from data acquired through experience. The probabilistic framework, which describes how to represent and manipulate uncertainty about models and predictions, has a central role in scientific data analysis, machine learning, robotics, cognitive science and artificial intelligence. This Review provides an introduction to this framework, and discusses some of the state-of-the-art advances in the field, namely, probabilistic programming, Bayesian optimization, data compression and automatic model discovery.

Probabilistic machine learning and artificial intelligence

NASA Astrophysics Data System (ADS)

Ghahramani, Zoubin

2015-05-01

How can a machine learn from experience? Probabilistic modelling provides a framework for understanding what learning is, and has therefore emerged as one of the principal theoretical and practical approaches for designing machines that learn from data acquired through experience. The probabilistic framework, which describes how to represent and manipulate uncertainty about models and predictions, has a central role in scientific data analysis, machine learning, robotics, cognitive science and artificial intelligence. This Review provides an introduction to this framework, and discusses some of the state-of-the-art advances in the field, namely, probabilistic programming, Bayesian optimization, data compression and automatic model discovery.

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.

PubMed

Hansen, Katja; Montavon, Grégoire; Biegler, Franziska; Fazli, Siamac; Rupp, Matthias; Scheffler, Matthias; von Lilienfeld, O Anatole; Tkatchenko, Alexandre; Müller, Klaus-Robert

2013-08-13

The accurate and reliable prediction of properties of molecules typically requires computationally intensive quantum-chemical calculations. Recently, machine learning techniques applied to ab initio calculations have been proposed as an efficient approach for describing the energies of molecules in their given ground-state structure throughout chemical compound space (Rupp et al. Phys. Rev. Lett. 2012, 108, 058301). In this paper we outline a number of established machine learning techniques and investigate the influence of the molecular representation on the methods performance. The best methods achieve prediction errors of 3 kcal/mol for the atomization energies of a wide variety of molecules. Rationales for this performance improvement are given together with pitfalls and challenges when applying machine learning approaches to the prediction of quantum-mechanical observables.

Game-powered machine learning

PubMed Central

Barrington, Luke; Turnbull, Douglas; Lanckriet, Gert

2012-01-01

Searching for relevant content in a massive amount of multimedia information is facilitated by accurately annotating each image, video, or song with a large number of relevant semantic keywords, or tags. We introduce game-powered machine learning, an integrated approach to annotating multimedia content that combines the effectiveness of human computation, through online games, with the scalability of machine learning. We investigate this framework for labeling music. First, a socially-oriented music annotation game called Herd It collects reliable music annotations based on the “wisdom of the crowds.” Second, these annotated examples are used to train a supervised machine learning system. Third, the machine learning system actively directs the annotation games to collect new data that will most benefit future model iterations. Once trained, the system can automatically annotate a corpus of music much larger than what could be labeled using human computation alone. Automatically annotated songs can be retrieved based on their semantic relevance to text-based queries (e.g., “funky jazz with saxophone,” “spooky electronica,” etc.). Based on the results presented in this paper, we find that actively coupling annotation games with machine learning provides a reliable and scalable approach to making searchable massive amounts of multimedia data. PMID:22460786

Game-powered machine learning.

PubMed

Barrington, Luke; Turnbull, Douglas; Lanckriet, Gert

2012-04-24

Searching for relevant content in a massive amount of multimedia information is facilitated by accurately annotating each image, video, or song with a large number of relevant semantic keywords, or tags. We introduce game-powered machine learning, an integrated approach to annotating multimedia content that combines the effectiveness of human computation, through online games, with the scalability of machine learning. We investigate this framework for labeling music. First, a socially-oriented music annotation game called Herd It collects reliable music annotations based on the "wisdom of the crowds." Second, these annotated examples are used to train a supervised machine learning system. Third, the machine learning system actively directs the annotation games to collect new data that will most benefit future model iterations. Once trained, the system can automatically annotate a corpus of music much larger than what could be labeled using human computation alone. Automatically annotated songs can be retrieved based on their semantic relevance to text-based queries (e.g., "funky jazz with saxophone," "spooky electronica," etc.). Based on the results presented in this paper, we find that actively coupling annotation games with machine learning provides a reliable and scalable approach to making searchable massive amounts of multimedia data.

Automatic de-identification of French clinical records: comparison of rule-based and machine-learning approaches.

PubMed

Grouin, Cyril; Zweigenbaum, Pierre

2013-01-01

In this paper, we present a comparison of two approaches to automatically de-identify medical records written in French: a rule-based system and a machine-learning based system using a conditional random fields (CRF) formalism. Both systems have been designed to process nine identifiers in a corpus of medical records in cardiology. We performed two evaluations: first, on 62 documents in cardiology, and on 10 documents in foetopathology - produced by optical character recognition (OCR) - to evaluate the robustness of our systems. We achieved a 0.843 (rule-based) and 0.883 (machine-learning) exact match overall F-measure in cardiology. While the rule-based system allowed us to achieve good results on nominative (first and last names) and numerical data (dates, phone numbers, and zip codes), the machine-learning approach performed best on more complex categories (postal addresses, hospital names, medical devices, and towns). On the foetopathology corpus, although our systems have not been designed for this corpus and despite OCR character recognition errors, we obtained promising results: a 0.681 (rule-based) and 0.638 (machine-learning) exact-match overall F-measure. This demonstrates that existing tools can be applied to process new documents of lower quality.

Prediction of antiepileptic drug treatment outcomes using machine learning

NASA Astrophysics Data System (ADS)

Colic, Sinisa; Wither, Robert G.; Lang, Min; Zhang, Liang; Eubanks, James H.; Bardakjian, Berj L.

2017-02-01

Objective. Antiepileptic drug (AED) treatments produce inconsistent outcomes, often necessitating patients to go through several drug trials until a successful treatment can be found. This study proposes the use of machine learning techniques to predict epilepsy treatment outcomes of commonly used AEDs. Approach. Machine learning algorithms were trained and evaluated using features obtained from intracranial electroencephalogram (iEEG) recordings of the epileptiform discharges observed in Mecp2-deficient mouse model of the Rett Syndrome. Previous work have linked the presence of cross-frequency coupling (I CFC) of the delta (2-5 Hz) rhythm with the fast ripple (400-600 Hz) rhythm in epileptiform discharges. Using the I CFC to label post-treatment outcomes we compared support vector machines (SVMs) and random forest (RF) machine learning classifiers for providing likelihood scores of successful treatment outcomes. Main results. (a) There was heterogeneity in AED treatment outcomes, (b) machine learning techniques could be used to rank the efficacy of AEDs by estimating likelihood scores for successful treatment outcome, (c) I CFC features yielded the most effective a priori identification of appropriate AED treatment, and (d) both classifiers performed comparably. Significance. Machine learning approaches yielded predictions of successful drug treatment outcomes which in turn could reduce the burdens of drug trials and lead to substantial improvements in patient quality of life.

Machine learning applications in genetics and genomics.

PubMed

Libbrecht, Maxwell W; Noble, William Stafford

2015-06-01

The field of machine learning, which aims to develop computer algorithms that improve with experience, holds promise to enable computers to assist humans in the analysis of large, complex data sets. Here, we provide an overview of machine learning applications for the analysis of genome sequencing data sets, including the annotation of sequence elements and epigenetic, proteomic or metabolomic data. We present considerations and recurrent challenges in the application of supervised, semi-supervised and unsupervised machine learning methods, as well as of generative and discriminative modelling approaches. We provide general guidelines to assist in the selection of these machine learning methods and their practical application for the analysis of genetic and genomic data sets.

Machine learning for epigenetics and future medical applications

PubMed Central

Holder, Lawrence B.; Haque, M. Muksitul; Skinner, Michael K.

2017-01-01

ABSTRACT Understanding epigenetic processes holds immense promise for medical applications. Advances in Machine Learning (ML) are critical to realize this promise. Previous studies used epigenetic data sets associated with the germline transmission of epigenetic transgenerational inheritance of disease and novel ML approaches to predict genome-wide locations of critical epimutations. A combination of Active Learning (ACL) and Imbalanced Class Learning (ICL) was used to address past problems with ML to develop a more efficient feature selection process and address the imbalance problem in all genomic data sets. The power of this novel ML approach and our ability to predict epigenetic phenomena and associated disease is suggested. The current approach requires extensive computation of features over the genome. A promising new approach is to introduce Deep Learning (DL) for the generation and simultaneous computation of novel genomic features tuned to the classification task. This approach can be used with any genomic or biological data set applied to medicine. The application of molecular epigenetic data in advanced machine learning analysis to medicine is the focus of this review. PMID:28524769

Support Vector Hazards Machine: A Counting Process Framework for Learning Risk Scores for Censored Outcomes.

PubMed

Wang, Yuanjia; Chen, Tianle; Zeng, Donglin

2016-01-01

Learning risk scores to predict dichotomous or continuous outcomes using machine learning approaches has been studied extensively. However, how to learn risk scores for time-to-event outcomes subject to right censoring has received little attention until recently. Existing approaches rely on inverse probability weighting or rank-based regression, which may be inefficient. In this paper, we develop a new support vector hazards machine (SVHM) approach to predict censored outcomes. Our method is based on predicting the counting process associated with the time-to-event outcomes among subjects at risk via a series of support vector machines. Introducing counting processes to represent time-to-event data leads to a connection between support vector machines in supervised learning and hazards regression in standard survival analysis. To account for different at risk populations at observed event times, a time-varying offset is used in estimating risk scores. The resulting optimization is a convex quadratic programming problem that can easily incorporate non-linearity using kernel trick. We demonstrate an interesting link from the profiled empirical risk function of SVHM to the Cox partial likelihood. We then formally show that SVHM is optimal in discriminating covariate-specific hazard function from population average hazard function, and establish the consistency and learning rate of the predicted risk using the estimated risk scores. Simulation studies show improved prediction accuracy of the event times using SVHM compared to existing machine learning methods and standard conventional approaches. Finally, we analyze two real world biomedical study data where we use clinical markers and neuroimaging biomarkers to predict age-at-onset of a disease, and demonstrate superiority of SVHM in distinguishing high risk versus low risk subjects.

Classifying smoking urges via machine learning

PubMed Central

Dumortier, Antoine; Beckjord, Ellen; Shiffman, Saul; Sejdić, Ervin

2016-01-01

Background and objective Smoking is the largest preventable cause of death and diseases in the developed world, and advances in modern electronics and machine learning can help us deliver real-time intervention to smokers in novel ways. In this paper, we examine different machine learning approaches to use situational features associated with having or not having urges to smoke during a quit attempt in order to accurately classify high-urge states. Methods To test our machine learning approaches, specifically, Bayes, discriminant analysis and decision tree learning methods, we used a dataset collected from over 300 participants who had initiated a quit attempt. The three classification approaches are evaluated observing sensitivity, specificity, accuracy and precision. Results The outcome of the analysis showed that algorithms based on feature selection make it possible to obtain high classification rates with only a few features selected from the entire dataset. The classification tree method outperformed the naive Bayes and discriminant analysis methods, with an accuracy of the classifications up to 86%. These numbers suggest that machine learning may be a suitable approach to deal with smoking cessation matters, and to predict smoking urges, outlining a potential use for mobile health applications. Conclusions In conclusion, machine learning classifiers can help identify smoking situations, and the search for the best features and classifier parameters significantly improves the algorithms’ performance. In addition, this study also supports the usefulness of new technologies in improving the effect of smoking cessation interventions, the management of time and patients by therapists, and thus the optimization of available health care resources. Future studies should focus on providing more adaptive and personalized support to people who really need it, in a minimum amount of time by developing novel expert systems capable of delivering real-time interventions. PMID:28110725

Classifying smoking urges via machine learning.

PubMed

Dumortier, Antoine; Beckjord, Ellen; Shiffman, Saul; Sejdić, Ervin

2016-12-01

Smoking is the largest preventable cause of death and diseases in the developed world, and advances in modern electronics and machine learning can help us deliver real-time intervention to smokers in novel ways. In this paper, we examine different machine learning approaches to use situational features associated with having or not having urges to smoke during a quit attempt in order to accurately classify high-urge states. To test our machine learning approaches, specifically, Bayes, discriminant analysis and decision tree learning methods, we used a dataset collected from over 300 participants who had initiated a quit attempt. The three classification approaches are evaluated observing sensitivity, specificity, accuracy and precision. The outcome of the analysis showed that algorithms based on feature selection make it possible to obtain high classification rates with only a few features selected from the entire dataset. The classification tree method outperformed the naive Bayes and discriminant analysis methods, with an accuracy of the classifications up to 86%. These numbers suggest that machine learning may be a suitable approach to deal with smoking cessation matters, and to predict smoking urges, outlining a potential use for mobile health applications. In conclusion, machine learning classifiers can help identify smoking situations, and the search for the best features and classifier parameters significantly improves the algorithms' performance. In addition, this study also supports the usefulness of new technologies in improving the effect of smoking cessation interventions, the management of time and patients by therapists, and thus the optimization of available health care resources. Future studies should focus on providing more adaptive and personalized support to people who really need it, in a minimum amount of time by developing novel expert systems capable of delivering real-time interventions. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

MLBCD: a machine learning tool for big clinical data.

PubMed

Luo, Gang

2015-01-01

Predictive modeling is fundamental for extracting value from large clinical data sets, or "big clinical data," advancing clinical research, and improving healthcare. Machine learning is a powerful approach to predictive modeling. Two factors make machine learning challenging for healthcare researchers. First, before training a machine learning model, the values of one or more model parameters called hyper-parameters must typically be specified. Due to their inexperience with machine learning, it is hard for healthcare researchers to choose an appropriate algorithm and hyper-parameter values. Second, many clinical data are stored in a special format. These data must be iteratively transformed into the relational table format before conducting predictive modeling. This transformation is time-consuming and requires computing expertise. This paper presents our vision for and design of MLBCD (Machine Learning for Big Clinical Data), a new software system aiming to address these challenges and facilitate building machine learning predictive models using big clinical data. The paper describes MLBCD's design in detail. By making machine learning accessible to healthcare researchers, MLBCD will open the use of big clinical data and increase the ability to foster biomedical discovery and improve care.

Learning molecular energies using localized graph kernels.

PubMed

Ferré, Grégoire; Haut, Terry; Barros, Kipton

2017-03-21

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

Learning molecular energies using localized graph kernels

NASA Astrophysics Data System (ADS)

Ferré, Grégoire; Haut, Terry; Barros, Kipton

2017-03-01

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

Comparison of Machine Learning Methods for the Arterial Hypertension Diagnostics

PubMed Central

Belo, David; Gamboa, Hugo

2017-01-01

The paper presents results of machine learning approach accuracy applied analysis of cardiac activity. The study evaluates the diagnostics possibilities of the arterial hypertension by means of the short-term heart rate variability signals. Two groups were studied: 30 relatively healthy volunteers and 40 patients suffering from the arterial hypertension of II-III degree. The following machine learning approaches were studied: linear and quadratic discriminant analysis, k-nearest neighbors, support vector machine with radial basis, decision trees, and naive Bayes classifier. Moreover, in the study, different methods of feature extraction are analyzed: statistical, spectral, wavelet, and multifractal. All in all, 53 features were investigated. Investigation results show that discriminant analysis achieves the highest classification accuracy. The suggested approach of noncorrelated feature set search achieved higher results than data set based on the principal components. PMID:28831239

A Novel Local Learning based Approach With Application to Breast Cancer Diagnosis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Songhua; Tourassi, Georgia

2012-01-01

The purpose of this study is to develop and evaluate a novel local learning-based approach for computer-assisted diagnosis of breast cancer. Our new local learning based algorithm using the linear logistic regression method as its base learner is described. Overall, our algorithm will perform its stochastic searching process until the total allowed computing time is used up by our random walk process in identifying the most suitable population subdivision scheme and their corresponding individual base learners. The proposed local learning-based approach was applied for the prediction of breast cancer given 11 mammographic and clinical findings reported by physicians using themore » BI-RADS lexicon. Our database consisted of 850 patients with biopsy confirmed diagnosis (290 malignant and 560 benign). We also compared the performance of our method with a collection of publicly available state-of-the-art machine learning methods. Predictive performance for all classifiers was evaluated using 10-fold cross validation and Receiver Operating Characteristics (ROC) analysis. Figure 1 reports the performance of 54 machine learning methods implemented in the machine learning toolkit Weka (version 3.0). We introduced a novel local learning-based classifier and compared it with an extensive list of other classifiers for the problem of breast cancer diagnosis. Our experiments show that the algorithm superior prediction performance outperforming a wide range of other well established machine learning techniques. Our conclusion complements the existing understanding in the machine learning field that local learning may capture complicated, non-linear relationships exhibited by real-world datasets.« less

Topic categorisation of statements in suicide notes with integrated rules and machine learning.

PubMed

Kovačević, Aleksandar; Dehghan, Azad; Keane, John A; Nenadic, Goran

2012-01-01

We describe and evaluate an automated approach used as part of the i2b2 2011 challenge to identify and categorise statements in suicide notes into one of 15 topics, including Love, Guilt, Thankfulness, Hopelessness and Instructions. The approach combines a set of lexico-syntactic rules with a set of models derived by machine learning from a training dataset. The machine learning models rely on named entities, lexical, lexico-semantic and presentation features, as well as the rules that are applicable to a given statement. On a testing set of 300 suicide notes, the approach showed the overall best micro F-measure of up to 53.36%. The best precision achieved was 67.17% when only rules are used, whereas best recall of 50.57% was with integrated rules and machine learning. While some topics (eg, Sorrow, Anger, Blame) prove challenging, the performance for relatively frequent (eg, Love) and well-scoped categories (eg, Thankfulness) was comparatively higher (precision between 68% and 79%), suggesting that automated text mining approaches can be effective in topic categorisation of suicide notes.

Acceleration of saddle-point searches with machine learning.

PubMed

Peterson, Andrew A

2016-08-21

In atomistic simulations, the location of the saddle point on the potential-energy surface (PES) gives important information on transitions between local minima, for example, via transition-state theory. However, the search for saddle points often involves hundreds or thousands of ab initio force calls, which are typically all done at full accuracy. This results in the vast majority of the computational effort being spent calculating the electronic structure of states not important to the researcher, and very little time performing the calculation of the saddle point state itself. In this work, we describe how machine learning (ML) can reduce the number of intermediate ab initio calculations needed to locate saddle points. Since machine-learning models can learn from, and thus mimic, atomistic simulations, the saddle-point search can be conducted rapidly in the machine-learning representation. The saddle-point prediction can then be verified by an ab initio calculation; if it is incorrect, this strategically has identified regions of the PES where the machine-learning representation has insufficient training data. When these training data are used to improve the machine-learning model, the estimates greatly improve. This approach can be systematized, and in two simple example problems we demonstrate a dramatic reduction in the number of ab initio force calls. We expect that this approach and future refinements will greatly accelerate searches for saddle points, as well as other searches on the potential energy surface, as machine-learning methods see greater adoption by the atomistics community.

Acceleration of saddle-point searches with machine learning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, Andrew A., E-mail: andrew-peterson@brown.edu

In atomistic simulations, the location of the saddle point on the potential-energy surface (PES) gives important information on transitions between local minima, for example, via transition-state theory. However, the search for saddle points often involves hundreds or thousands of ab initio force calls, which are typically all done at full accuracy. This results in the vast majority of the computational effort being spent calculating the electronic structure of states not important to the researcher, and very little time performing the calculation of the saddle point state itself. In this work, we describe how machine learning (ML) can reduce the numbermore » of intermediate ab initio calculations needed to locate saddle points. Since machine-learning models can learn from, and thus mimic, atomistic simulations, the saddle-point search can be conducted rapidly in the machine-learning representation. The saddle-point prediction can then be verified by an ab initio calculation; if it is incorrect, this strategically has identified regions of the PES where the machine-learning representation has insufficient training data. When these training data are used to improve the machine-learning model, the estimates greatly improve. This approach can be systematized, and in two simple example problems we demonstrate a dramatic reduction in the number of ab initio force calls. We expect that this approach and future refinements will greatly accelerate searches for saddle points, as well as other searches on the potential energy surface, as machine-learning methods see greater adoption by the atomistics community.« less

Machine Learning Techniques for Stellar Light Curve Classification

NASA Astrophysics Data System (ADS)

Hinners, Trisha A.; Tat, Kevin; Thorp, Rachel

2018-07-01

We apply machine learning techniques in an attempt to predict and classify stellar properties from noisy and sparse time-series data. We preprocessed over 94 GB of Kepler light curves from the Mikulski Archive for Space Telescopes (MAST) to classify according to 10 distinct physical properties using both representation learning and feature engineering approaches. Studies using machine learning in the field have been primarily done on simulated data, making our study one of the first to use real light-curve data for machine learning approaches. We tuned our data using previous work with simulated data as a template and achieved mixed results between the two approaches. Representation learning using a long short-term memory recurrent neural network produced no successful predictions, but our work with feature engineering was successful for both classification and regression. In particular, we were able to achieve values for stellar density, stellar radius, and effective temperature with low error (∼2%–4%) and good accuracy (∼75%) for classifying the number of transits for a given star. The results show promise for improvement for both approaches upon using larger data sets with a larger minority class. This work has the potential to provide a foundation for future tools and techniques to aid in the analysis of astrophysical data.

Machine Learning Techniques in Clinical Vision Sciences.

PubMed

Caixinha, Miguel; Nunes, Sandrina

2017-01-01

This review presents and discusses the contribution of machine learning techniques for diagnosis and disease monitoring in the context of clinical vision science. Many ocular diseases leading to blindness can be halted or delayed when detected and treated at its earliest stages. With the recent developments in diagnostic devices, imaging and genomics, new sources of data for early disease detection and patients' management are now available. Machine learning techniques emerged in the biomedical sciences as clinical decision-support techniques to improve sensitivity and specificity of disease detection and monitoring, increasing objectively the clinical decision-making process. This manuscript presents a review in multimodal ocular disease diagnosis and monitoring based on machine learning approaches. In the first section, the technical issues related to the different machine learning approaches will be present. Machine learning techniques are used to automatically recognize complex patterns in a given dataset. These techniques allows creating homogeneous groups (unsupervised learning), or creating a classifier predicting group membership of new cases (supervised learning), when a group label is available for each case. To ensure a good performance of the machine learning techniques in a given dataset, all possible sources of bias should be removed or minimized. For that, the representativeness of the input dataset for the true population should be confirmed, the noise should be removed, the missing data should be treated and the data dimensionally (i.e., the number of parameters/features and the number of cases in the dataset) should be adjusted. The application of machine learning techniques in ocular disease diagnosis and monitoring will be presented and discussed in the second section of this manuscript. To show the clinical benefits of machine learning in clinical vision sciences, several examples will be presented in glaucoma, age-related macular degeneration, and diabetic retinopathy, these ocular pathologies being the major causes of irreversible visual impairment.

A Parameter Communication Optimization Strategy for Distributed Machine Learning in Sensors.

PubMed

Zhang, Jilin; Tu, Hangdi; Ren, Yongjian; Wan, Jian; Zhou, Li; Li, Mingwei; Wang, Jue; Yu, Lifeng; Zhao, Chang; Zhang, Lei

2017-09-21

In order to utilize the distributed characteristic of sensors, distributed machine learning has become the mainstream approach, but the different computing capability of sensors and network delays greatly influence the accuracy and the convergence rate of the machine learning model. Our paper describes a reasonable parameter communication optimization strategy to balance the training overhead and the communication overhead. We extend the fault tolerance of iterative-convergent machine learning algorithms and propose the Dynamic Finite Fault Tolerance (DFFT). Based on the DFFT, we implement a parameter communication optimization strategy for distributed machine learning, named Dynamic Synchronous Parallel Strategy (DSP), which uses the performance monitoring model to dynamically adjust the parameter synchronization strategy between worker nodes and the Parameter Server (PS). This strategy makes full use of the computing power of each sensor, ensures the accuracy of the machine learning model, and avoids the situation that the model training is disturbed by any tasks unrelated to the sensors.

Application of machine learning classification for structural brain MRI in mood disorders: Critical review from a clinical perspective.

PubMed

Kim, Yong-Ku; Na, Kyoung-Sae

2018-01-03

Mood disorders are a highly prevalent group of mental disorders causing substantial socioeconomic burden. There are various methodological approaches for identifying the underlying mechanisms of the etiology, symptomatology, and therapeutics of mood disorders; however, neuroimaging studies have provided the most direct evidence for mood disorder neural substrates by visualizing the brains of living individuals. The prefrontal cortex, hippocampus, amygdala, thalamus, ventral striatum, and corpus callosum are associated with depression and bipolar disorder. Identifying the distinct and common contributions of these anatomical regions to depression and bipolar disorder have broadened and deepened our understanding of mood disorders. However, the extent to which neuroimaging research findings contribute to clinical practice in the real-world setting is unclear. As traditional or non-machine learning MRI studies have analyzed group-level differences, it is not possible to directly translate findings from research to clinical practice; the knowledge gained pertains to the disorder, but not to individuals. On the other hand, a machine learning approach makes it possible to provide individual-level classifications. For the past two decades, many studies have reported on the classification accuracy of machine learning-based neuroimaging studies from the perspective of diagnosis and treatment response. However, for the application of a machine learning-based brain MRI approach in real world clinical settings, several major issues should be considered. Secondary changes due to illness duration and medication, clinical subtypes and heterogeneity, comorbidities, and cost-effectiveness restrict the generalization of the current machine learning findings. Sophisticated classification of clinical and diagnostic subtypes is needed. Additionally, as the approach is inevitably limited by sample size, multi-site participation and data-sharing are needed in the future. Copyright © 2017 Elsevier Inc. All rights reserved.

A Comparison of Machine Learning Approaches for Corn Yield Estimation

NASA Astrophysics Data System (ADS)

Kim, N.; Lee, Y. W.

2017-12-01

Machine learning is an efficient empirical method for classification and prediction, and it is another approach to crop yield estimation. The objective of this study is to estimate corn yield in the Midwestern United States by employing the machine learning approaches such as the support vector machine (SVM), random forest (RF), and deep neural networks (DNN), and to perform the comprehensive comparison for their results. We constructed the database using satellite images from MODIS, the climate data of PRISM climate group, and GLDAS soil moisture data. In addition, to examine the seasonal sensitivities of corn yields, two period groups were set up: May to September (MJJAS) and July and August (JA). In overall, the DNN showed the highest accuracies in term of the correlation coefficient for the two period groups. The differences between our predictions and USDA yield statistics were about 10-11 %.

Machine learning approach for the outcome prediction of temporal lobe epilepsy surgery.

PubMed

Armañanzas, Rubén; Alonso-Nanclares, Lidia; Defelipe-Oroquieta, Jesús; Kastanauskaite, Asta; de Sola, Rafael G; Defelipe, Javier; Bielza, Concha; Larrañaga, Pedro

2013-01-01

Epilepsy surgery is effective in reducing both the number and frequency of seizures, particularly in temporal lobe epilepsy (TLE). Nevertheless, a significant proportion of these patients continue suffering seizures after surgery. Here we used a machine learning approach to predict the outcome of epilepsy surgery based on supervised classification data mining taking into account not only the common clinical variables, but also pathological and neuropsychological evaluations. We have generated models capable of predicting whether a patient with TLE secondary to hippocampal sclerosis will fully recover from epilepsy or not. The machine learning analysis revealed that outcome could be predicted with an estimated accuracy of almost 90% using some clinical and neuropsychological features. Importantly, not all the features were needed to perform the prediction; some of them proved to be irrelevant to the prognosis. Personality style was found to be one of the key features to predict the outcome. Although we examined relatively few cases, findings were verified across all data, showing that the machine learning approach described in the present study may be a powerful method. Since neuropsychological assessment of epileptic patients is a standard protocol in the pre-surgical evaluation, we propose to include these specific psychological tests and machine learning tools to improve the selection of candidates for epilepsy surgery.

Machine Learning Approach for the Outcome Prediction of Temporal Lobe Epilepsy Surgery

PubMed Central

DeFelipe-Oroquieta, Jesús; Kastanauskaite, Asta; de Sola, Rafael G.; DeFelipe, Javier; Bielza, Concha; Larrañaga, Pedro

2013-01-01

Epilepsy surgery is effective in reducing both the number and frequency of seizures, particularly in temporal lobe epilepsy (TLE). Nevertheless, a significant proportion of these patients continue suffering seizures after surgery. Here we used a machine learning approach to predict the outcome of epilepsy surgery based on supervised classification data mining taking into account not only the common clinical variables, but also pathological and neuropsychological evaluations. We have generated models capable of predicting whether a patient with TLE secondary to hippocampal sclerosis will fully recover from epilepsy or not. The machine learning analysis revealed that outcome could be predicted with an estimated accuracy of almost 90% using some clinical and neuropsychological features. Importantly, not all the features were needed to perform the prediction; some of them proved to be irrelevant to the prognosis. Personality style was found to be one of the key features to predict the outcome. Although we examined relatively few cases, findings were verified across all data, showing that the machine learning approach described in the present study may be a powerful method. Since neuropsychological assessment of epileptic patients is a standard protocol in the pre-surgical evaluation, we propose to include these specific psychological tests and machine learning tools to improve the selection of candidates for epilepsy surgery. PMID:23646148

Machine Learning Approach to Extract Diagnostic and Prognostic Thresholds: Application in Prognosis of Cardiovascular Mortality

PubMed Central

Mena, Luis J.; Orozco, Eber E.; Felix, Vanessa G.; Ostos, Rodolfo; Melgarejo, Jesus; Maestre, Gladys E.

2012-01-01

Machine learning has become a powerful tool for analysing medical domains, assessing the importance of clinical parameters, and extracting medical knowledge for outcomes research. In this paper, we present a machine learning method for extracting diagnostic and prognostic thresholds, based on a symbolic classification algorithm called REMED. We evaluated the performance of our method by determining new prognostic thresholds for well-known and potential cardiovascular risk factors that are used to support medical decisions in the prognosis of fatal cardiovascular diseases. Our approach predicted 36% of cardiovascular deaths with 80% specificity and 75% general accuracy. The new method provides an innovative approach that might be useful to support decisions about medical diagnoses and prognoses. PMID:22924062

Prediction of drug synergy in cancer using ensemble-based machine learning techniques

NASA Astrophysics Data System (ADS)

Singh, Harpreet; Rana, Prashant Singh; Singh, Urvinder

2018-04-01

Drug synergy prediction plays a significant role in the medical field for inhibiting specific cancer agents. It can be developed as a pre-processing tool for therapeutic successes. Examination of different drug-drug interaction can be done by drug synergy score. It needs efficient regression-based machine learning approaches to minimize the prediction errors. Numerous machine learning techniques such as neural networks, support vector machines, random forests, LASSO, Elastic Nets, etc., have been used in the past to realize requirement as mentioned above. However, these techniques individually do not provide significant accuracy in drug synergy score. Therefore, the primary objective of this paper is to design a neuro-fuzzy-based ensembling approach. To achieve this, nine well-known machine learning techniques have been implemented by considering the drug synergy data. Based on the accuracy of each model, four techniques with high accuracy are selected to develop ensemble-based machine learning model. These models are Random forest, Fuzzy Rules Using Genetic Cooperative-Competitive Learning method (GFS.GCCL), Adaptive-Network-Based Fuzzy Inference System (ANFIS) and Dynamic Evolving Neural-Fuzzy Inference System method (DENFIS). Ensembling is achieved by evaluating the biased weighted aggregation (i.e. adding more weights to the model with a higher prediction score) of predicted data by selected models. The proposed and existing machine learning techniques have been evaluated on drug synergy score data. The comparative analysis reveals that the proposed method outperforms others in terms of accuracy, root mean square error and coefficient of correlation.

Classification of follicular lymphoma images: a holistic approach with symbol-based machine learning methods.

PubMed

Zorman, Milan; Sánchez de la Rosa, José Luis; Dinevski, Dejan

2011-12-01

It is not very often to see a symbol-based machine learning approach to be used for the purpose of image classification and recognition. In this paper we will present such an approach, which we first used on the follicular lymphoma images. Lymphoma is a broad term encompassing a variety of cancers of the lymphatic system. Lymphoma is differentiated by the type of cell that multiplies and how the cancer presents itself. It is very important to get an exact diagnosis regarding lymphoma and to determine the treatments that will be most effective for the patient's condition. Our work was focused on the identification of lymphomas by finding follicles in microscopy images provided by the Laboratory of Pathology in the University Hospital of Tenerife, Spain. We divided our work in two stages: in the first stage we did image pre-processing and feature extraction, and in the second stage we used different symbolic machine learning approaches for pixel classification. Symbolic machine learning approaches are often neglected when looking for image analysis tools. They are not only known for a very appropriate knowledge representation, but also claimed to lack computational power. The results we got are very promising and show that symbolic approaches can be successful in image analysis applications.

Quantum annealing versus classical machine learning applied to a simplified computational biology problem

PubMed Central

Li, Richard Y.; Di Felice, Rosa; Rohs, Remo; Lidar, Daniel A.

2018-01-01

Transcription factors regulate gene expression, but how these proteins recognize and specifically bind to their DNA targets is still debated. Machine learning models are effective means to reveal interaction mechanisms. Here we studied the ability of a quantum machine learning approach to predict binding specificity. Using simplified datasets of a small number of DNA sequences derived from actual binding affinity experiments, we trained a commercially available quantum annealer to classify and rank transcription factor binding. The results were compared to state-of-the-art classical approaches for the same simplified datasets, including simulated annealing, simulated quantum annealing, multiple linear regression, LASSO, and extreme gradient boosting. Despite technological limitations, we find a slight advantage in classification performance and nearly equal ranking performance using the quantum annealer for these fairly small training data sets. Thus, we propose that quantum annealing might be an effective method to implement machine learning for certain computational biology problems. PMID:29652405

Chemically intuited, large-scale screening of MOFs by machine learning techniques

NASA Astrophysics Data System (ADS)

Borboudakis, Giorgos; Stergiannakos, Taxiarchis; Frysali, Maria; Klontzas, Emmanuel; Tsamardinos, Ioannis; Froudakis, George E.

2017-10-01

A novel computational methodology for large-scale screening of MOFs is applied to gas storage with the use of machine learning technologies. This approach is a promising trade-off between the accuracy of ab initio methods and the speed of classical approaches, strategically combined with chemical intuition. The results demonstrate that the chemical properties of MOFs are indeed predictable (stochastically, not deterministically) using machine learning methods and automated analysis protocols, with the accuracy of predictions increasing with sample size. Our initial results indicate that this methodology is promising to apply not only to gas storage in MOFs but in many other material science projects.

An introduction to quantum machine learning

NASA Astrophysics Data System (ADS)

Schuld, Maria; Sinayskiy, Ilya; Petruccione, Francesco

2015-04-01

Machine learning algorithms learn a desired input-output relation from examples in order to interpret new inputs. This is important for tasks such as image and speech recognition or strategy optimisation, with growing applications in the IT industry. In the last couple of years, researchers investigated if quantum computing can help to improve classical machine learning algorithms. Ideas range from running computationally costly algorithms or their subroutines efficiently on a quantum computer to the translation of stochastic methods into the language of quantum theory. This contribution gives a systematic overview of the emerging field of quantum machine learning. It presents the approaches as well as technical details in an accessible way, and discusses the potential of a future theory of quantum learning.

Learning molecular energies using localized graph kernels

DOE PAGES

Ferré, Grégoire; Haut, Terry Scot; Barros, Kipton Marcos

2017-03-21

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturallymore » incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.« less

Learning molecular energies using localized graph kernels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferré, Grégoire; Haut, Terry Scot; Barros, Kipton Marcos

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturallymore » incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.« less

Active learning machine learns to create new quantum experiments.

PubMed

Melnikov, Alexey A; Poulsen Nautrup, Hendrik; Krenn, Mario; Dunjko, Vedran; Tiersch, Markus; Zeilinger, Anton; Briegel, Hans J

2018-02-06

How useful can machine learning be in a quantum laboratory? Here we raise the question of the potential of intelligent machines in the context of scientific research. A major motivation for the present work is the unknown reachability of various entanglement classes in quantum experiments. We investigate this question by using the projective simulation model, a physics-oriented approach to artificial intelligence. In our approach, the projective simulation system is challenged to design complex photonic quantum experiments that produce high-dimensional entangled multiphoton states, which are of high interest in modern quantum experiments. The artificial intelligence system learns to create a variety of entangled states and improves the efficiency of their realization. In the process, the system autonomously (re)discovers experimental techniques which are only now becoming standard in modern quantum optical experiments-a trait which was not explicitly demanded from the system but emerged through the process of learning. Such features highlight the possibility that machines could have a significantly more creative role in future research.

Comparative Analysis of Automatic Exudate Detection between Machine Learning and Traditional Approaches

NASA Astrophysics Data System (ADS)

Sopharak, Akara; Uyyanonvara, Bunyarit; Barman, Sarah; Williamson, Thomas

To prevent blindness from diabetic retinopathy, periodic screening and early diagnosis are neccessary. Due to lack of expert ophthalmologists in rural area, automated early exudate (one of visible sign of diabetic retinopathy) detection could help to reduce the number of blindness in diabetic patients. Traditional automatic exudate detection methods are based on specific parameter configuration, while the machine learning approaches which seems more flexible may be computationally high cost. A comparative analysis of traditional and machine learning of exudates detection, namely, mathematical morphology, fuzzy c-means clustering, naive Bayesian classifier, Support Vector Machine and Nearest Neighbor classifier are presented. Detected exudates are validated with expert ophthalmologists' hand-drawn ground-truths. The sensitivity, specificity, precision, accuracy and time complexity of each method are also compared.

An Investigation of Data Privacy and Utility Using Machine Learning as a Gauge

ERIC Educational Resources Information Center

Mivule, Kato

2014-01-01

The purpose of this investigation is to study and pursue a user-defined approach in preserving data privacy while maintaining an acceptable level of data utility using machine learning classification techniques as a gauge in the generation of synthetic data sets. This dissertation will deal with data privacy, data utility, machine learning…

A Machine Learning Approach to Automated Gait Analysis for the Noldus Catwalk System.

PubMed

Frohlich, Holger; Claes, Kasper; De Wolf, Catherine; Van Damme, Xavier; Michel, Anne

2018-05-01

Gait analysis of animal disease models can provide valuable insights into in vivo compound effects and thus help in preclinical drug development. The purpose of this paper is to establish a computational gait analysis approach for the Noldus Catwalk system, in which footprints are automatically captured and stored. We present a - to our knowledge - first machine learning based approach for the Catwalk system, which comprises a step decomposition, definition and extraction of meaningful features, multivariate step sequence alignment, feature selection, and training of different classifiers (gradient boosting machine, random forest, and elastic net). Using animal-wise leave-one-out cross validation we demonstrate that with our method we can reliable separate movement patterns of a putative Parkinson's disease animal model and several control groups. Furthermore, we show that we can predict the time point after and the type of different brain lesions and can even forecast the brain region, where the intervention was applied. We provide an in-depth analysis of the features involved into our classifiers via statistical techniques for model interpretation. A machine learning method for automated analysis of data from the Noldus Catwalk system was established. Our works shows the ability of machine learning to discriminate pharmacologically relevant animal groups based on their walking behavior in a multivariate manner. Further interesting aspects of the approach include the ability to learn from past experiments, improve with more data arriving and to make predictions for single animals in future studies.

A Cognitive Machine Learning Algorithm for Cardiac Imaging: A Pilot Study for Differentiating Constrictive Pericarditis from Restrictive Cardiomyopathy

PubMed Central

Sengupta, Partho P.; Huang, Yen-Min; Bansal, Manish; Ashrafi, Ali; Fisher, Matt; Shameer, Khader; Gall, Walt; Dudley, Joel T

2016-01-01

Background Associating a patient’s profile with the memories of prototypical patients built through previous repeat clinical experience is a key process in clinical judgment. We hypothesized that a similar process using a cognitive computing tool would be well suited for learning and recalling multidimensional attributes of speckle tracking echocardiography (STE) data sets derived from patients with known constrictive pericarditis (CP) and restrictive cardiomyopathy (RCM). Methods and Results Clinical and echocardiographic data of 50 patients with CP and 44 with RCM were used for developing an associative memory classifier (AMC) based machine learning algorithm. The STE data was normalized in reference to 47 controls with no structural heart disease, and the diagnostic area under the receiver operating characteristic curve (AUC) of the AMC was evaluated for differentiating CP from RCM. Using only STE variables, AMC achieved a diagnostic AUC of 89·2%, which improved to 96·2% with addition of 4 echocardiographic variables. In comparison, the AUC of early diastolic mitral annular velocity and left ventricular longitudinal strain were 82.1% and 63·7%, respectively. Furthermore, AMC demonstrated greater accuracy and shorter learning curves than other machine learning approaches with accuracy asymptotically approaching 90% after a training fraction of 0·3 and remaining flat at higher training fractions. Conclusions This study demonstrates feasibility of a cognitive machine learning approach for learning and recalling patterns observed during echocardiographic evaluations. Incorporation of machine learning algorithms in cardiac imaging may aid standardized assessments and support the quality of interpretations, particularly for novice readers with limited experience. PMID:27266599

Boosting compound-protein interaction prediction by deep learning.

PubMed

Tian, Kai; Shao, Mingyu; Wang, Yang; Guan, Jihong; Zhou, Shuigeng

2016-11-01

The identification of interactions between compounds and proteins plays an important role in network pharmacology and drug discovery. However, experimentally identifying compound-protein interactions (CPIs) is generally expensive and time-consuming, computational approaches are thus introduced. Among these, machine-learning based methods have achieved a considerable success. However, due to the nonlinear and imbalanced nature of biological data, many machine learning approaches have their own limitations. Recently, deep learning techniques show advantages over many state-of-the-art machine learning methods in some applications. In this study, we aim at improving the performance of CPI prediction based on deep learning, and propose a method called DL-CPI (the abbreviation of Deep Learning for Compound-Protein Interactions prediction), which employs deep neural network (DNN) to effectively learn the representations of compound-protein pairs. Extensive experiments show that DL-CPI can learn useful features of compound-protein pairs by a layerwise abstraction, and thus achieves better prediction performance than existing methods on both balanced and imbalanced datasets. Copyright © 2016 Elsevier Inc. All rights reserved.

A Comparison Study of Machine Learning Based Algorithms for Fatigue Crack Growth Calculation.

PubMed

Wang, Hongxun; Zhang, Weifang; Sun, Fuqiang; Zhang, Wei

2017-05-18

The relationships between the fatigue crack growth rate ( d a / d N ) and stress intensity factor range ( Δ K ) are not always linear even in the Paris region. The stress ratio effects on fatigue crack growth rate are diverse in different materials. However, most existing fatigue crack growth models cannot handle these nonlinearities appropriately. The machine learning method provides a flexible approach to the modeling of fatigue crack growth because of its excellent nonlinear approximation and multivariable learning ability. In this paper, a fatigue crack growth calculation method is proposed based on three different machine learning algorithms (MLAs): extreme learning machine (ELM), radial basis function network (RBFN) and genetic algorithms optimized back propagation network (GABP). The MLA based method is validated using testing data of different materials. The three MLAs are compared with each other as well as the classical two-parameter model ( K * approach). The results show that the predictions of MLAs are superior to those of K * approach in accuracy and effectiveness, and the ELM based algorithms show overall the best agreement with the experimental data out of the three MLAs, for its global optimization and extrapolation ability.

BELM: Bayesian extreme learning machine.

PubMed

Soria-Olivas, Emilio; Gómez-Sanchis, Juan; Martín, José D; Vila-Francés, Joan; Martínez, Marcelino; Magdalena, José R; Serrano, Antonio J

2011-03-01

The theory of extreme learning machine (ELM) has become very popular on the last few years. ELM is a new approach for learning the parameters of the hidden layers of a multilayer neural network (as the multilayer perceptron or the radial basis function neural network). Its main advantage is the lower computational cost, which is especially relevant when dealing with many patterns defined in a high-dimensional space. This brief proposes a bayesian approach to ELM, which presents some advantages over other approaches: it allows the introduction of a priori knowledge; obtains the confidence intervals (CIs) without the need of applying methods that are computationally intensive, e.g., bootstrap; and presents high generalization capabilities. Bayesian ELM is benchmarked against classical ELM in several artificial and real datasets that are widely used for the evaluation of machine learning algorithms. Achieved results show that the proposed approach produces a competitive accuracy with some additional advantages, namely, automatic production of CIs, reduction of probability of model overfitting, and use of a priori knowledge.

Machine Learning Based Multi-Physical-Model Blending for Enhancing Renewable Energy Forecast -- Improvement via Situation Dependent Error Correction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Siyuan; Hwang, Youngdeok; Khabibrakhmanov, Ildar

With increasing penetration of solar and wind energy to the total energy supply mix, the pressing need for accurate energy forecasting has become well-recognized. Here we report the development of a machine-learning based model blending approach for statistically combining multiple meteorological models for improving the accuracy of solar/wind power forecast. Importantly, we demonstrate that in addition to parameters to be predicted (such as solar irradiance and power), including additional atmospheric state parameters which collectively define weather situations as machine learning input provides further enhanced accuracy for the blended result. Functional analysis of variance shows that the error of individual modelmore » has substantial dependence on the weather situation. The machine-learning approach effectively reduces such situation dependent error thus produces more accurate results compared to conventional multi-model ensemble approaches based on simplistic equally or unequally weighted model averaging. Validation over an extended period of time results show over 30% improvement in solar irradiance/power forecast accuracy compared to forecasts based on the best individual model.« less

A Flexible Approach to Quantifying Various Dimensions of Environmental Complexity

DTIC Science & Technology

2004-08-01

dissertation, Cambridge University, Cambridge, England, 1989. [15] C. J. C. H. Watkins and P. Dayan, “Q-learning,” Machine Learning , vol. 8, pp. 279–292, 1992...16] I. Szita, B. Takács, and A. Lörincz, “²-MDPs: Learning in varying environments,” Journal of Machine Learning Research, vol. 3, pp. 145–174, 2002

Artificial intelligence approaches for rational drug design and discovery.

PubMed

Duch, Włodzisław; Swaminathan, Karthikeyan; Meller, Jarosław

2007-01-01

Pattern recognition, machine learning and artificial intelligence approaches play an increasingly important role in rational drug design, screening and identification of candidate molecules and studies on quantitative structure-activity relationships (QSAR). In this review, we present an overview of basic concepts and methodology in the fields of machine learning and artificial intelligence (AI). An emphasis is put on methods that enable an intuitive interpretation of the results and facilitate gaining an insight into the structure of the problem at hand. We also discuss representative applications of AI methods to docking, screening and QSAR studies. The growing trend to integrate computational and experimental efforts in that regard and some future developments are discussed. In addition, we comment on a broader role of machine learning and artificial intelligence approaches in biomedical research.

Machine Learning Approaches for Detecting Diabetic Retinopathy from Clinical and Public Health Records.

PubMed

Ogunyemi, Omolola; Kermah, Dulcie

2015-01-01

Annual eye examinations are recommended for diabetic patients in order to detect diabetic retinopathy and other eye conditions that arise from diabetes. Medically underserved urban communities in the US have annual screening rates that are much lower than the national average and could benefit from informatics approaches to identify unscreened patients most at risk of developing retinopathy. Using clinical data from urban safety net clinics as well as public health data from the CDC's National Health and Nutrition Examination Survey, we examined different machine learning approaches for predicting retinopathy from clinical or public health data. All datasets utilized exhibited a class imbalance. Classifiers learned on the clinical data were modestly predictive of retinopathy with the best model having an AUC of 0.72, sensitivity of 69.2% and specificity of 55.9%. Classifiers learned on public health data were not predictive of retinopathy. Successful approaches to detecting latent retinopathy using machine learning could help safety net and other clinics identify unscreened patients who are most at risk of developing retinopathy and the use of ensemble classifiers on clinical data shows promise for this purpose.

Recent developments in machine learning applications in landslide susceptibility mapping

NASA Astrophysics Data System (ADS)

Lun, Na Kai; Liew, Mohd Shahir; Matori, Abdul Nasir; Zawawi, Noor Amila Wan Abdullah

2017-11-01

While the prediction of spatial distribution of potential landslide occurrences is a primary interest in landslide hazard mitigation, it remains a challenging task. To overcome the scarceness of complete, sufficiently detailed geomorphological attributes and environmental conditions, various machine-learning techniques are increasingly applied to effectively map landslide susceptibility for large regions. Nevertheless, limited review papers are devoted to this field, particularly on the various domain specific applications of machine learning techniques. Available literature often report relatively good predictive performance, however, papers discussing the limitations of each approaches are quite uncommon. The foremost aim of this paper is to narrow these gaps in literature and to review up-to-date machine learning and ensemble learning techniques applied in landslide susceptibility mapping. It provides new readers an introductory understanding on the subject matter and researchers a contemporary review of machine learning advancements alongside the future direction of these techniques in the landslide mitigation field.

Machine learning and data science in soft materials engineering

NASA Astrophysics Data System (ADS)

Ferguson, Andrew L.

2018-01-01

In many branches of materials science it is now routine to generate data sets of such large size and dimensionality that conventional methods of analysis fail. Paradigms and tools from data science and machine learning can provide scalable approaches to identify and extract trends and patterns within voluminous data sets, perform guided traversals of high-dimensional phase spaces, and furnish data-driven strategies for inverse materials design. This topical review provides an accessible introduction to machine learning tools in the context of soft and biological materials by ‘de-jargonizing’ data science terminology, presenting a taxonomy of machine learning techniques, and surveying the mathematical underpinnings and software implementations of popular tools, including principal component analysis, independent component analysis, diffusion maps, support vector machines, and relative entropy. We present illustrative examples of machine learning applications in soft matter, including inverse design of self-assembling materials, nonlinear learning of protein folding landscapes, high-throughput antimicrobial peptide design, and data-driven materials design engines. We close with an outlook on the challenges and opportunities for the field.

Machine learning and data science in soft materials engineering.

PubMed

Ferguson, Andrew L

2018-01-31

In many branches of materials science it is now routine to generate data sets of such large size and dimensionality that conventional methods of analysis fail. Paradigms and tools from data science and machine learning can provide scalable approaches to identify and extract trends and patterns within voluminous data sets, perform guided traversals of high-dimensional phase spaces, and furnish data-driven strategies for inverse materials design. This topical review provides an accessible introduction to machine learning tools in the context of soft and biological materials by 'de-jargonizing' data science terminology, presenting a taxonomy of machine learning techniques, and surveying the mathematical underpinnings and software implementations of popular tools, including principal component analysis, independent component analysis, diffusion maps, support vector machines, and relative entropy. We present illustrative examples of machine learning applications in soft matter, including inverse design of self-assembling materials, nonlinear learning of protein folding landscapes, high-throughput antimicrobial peptide design, and data-driven materials design engines. We close with an outlook on the challenges and opportunities for the field.

A Parameter Communication Optimization Strategy for Distributed Machine Learning in Sensors

PubMed Central

Zhang, Jilin; Tu, Hangdi; Ren, Yongjian; Wan, Jian; Zhou, Li; Li, Mingwei; Wang, Jue; Yu, Lifeng; Zhao, Chang; Zhang, Lei

2017-01-01

In order to utilize the distributed characteristic of sensors, distributed machine learning has become the mainstream approach, but the different computing capability of sensors and network delays greatly influence the accuracy and the convergence rate of the machine learning model. Our paper describes a reasonable parameter communication optimization strategy to balance the training overhead and the communication overhead. We extend the fault tolerance of iterative-convergent machine learning algorithms and propose the Dynamic Finite Fault Tolerance (DFFT). Based on the DFFT, we implement a parameter communication optimization strategy for distributed machine learning, named Dynamic Synchronous Parallel Strategy (DSP), which uses the performance monitoring model to dynamically adjust the parameter synchronization strategy between worker nodes and the Parameter Server (PS). This strategy makes full use of the computing power of each sensor, ensures the accuracy of the machine learning model, and avoids the situation that the model training is disturbed by any tasks unrelated to the sensors. PMID:28934163

Exploration of Machine Learning Approaches to Predict Pavement Performance

DOT National Transportation Integrated Search

2018-03-23

Machine learning (ML) techniques were used to model and predict pavement condition index (PCI) for various pavement types using a variety of input variables. The primary objective of this research was to develop and assess PCI predictive models for t...

Generalized SMO algorithm for SVM-based multitask learning.

PubMed

Cai, Feng; Cherkassky, Vladimir

2012-06-01

Exploiting additional information to improve traditional inductive learning is an active research area in machine learning. In many supervised-learning applications, training data can be naturally separated into several groups, and incorporating this group information into learning may improve generalization. Recently, Vapnik proposed a general approach to formalizing such problems, known as "learning with structured data" and its support vector machine (SVM) based optimization formulation called SVM+. Liang and Cherkassky showed the connection between SVM+ and multitask learning (MTL) approaches in machine learning, and proposed an SVM-based formulation for MTL called SVM+MTL for classification. Training the SVM+MTL classifier requires the solution of a large quadratic programming optimization problem which scales as O(n(3)) with sample size n. So there is a need to develop computationally efficient algorithms for implementing SVM+MTL. This brief generalizes Platt's sequential minimal optimization (SMO) algorithm to the SVM+MTL setting. Empirical results show that, for typical SVM+MTL problems, the proposed generalized SMO achieves over 100 times speed-up, in comparison with general-purpose optimization routines.

Resident Space Object Characterization and Behavior Understanding via Machine Learning and Ontology-based Bayesian Networks

NASA Astrophysics Data System (ADS)

Furfaro, R.; Linares, R.; Gaylor, D.; Jah, M.; Walls, R.

2016-09-01

In this paper, we present an end-to-end approach that employs machine learning techniques and Ontology-based Bayesian Networks (BN) to characterize the behavior of resident space objects. State-of-the-Art machine learning architectures (e.g. Extreme Learning Machines, Convolutional Deep Networks) are trained on physical models to learn the Resident Space Object (RSO) features in the vectorized energy and momentum states and parameters. The mapping from measurements to vectorized energy and momentum states and parameters enables behavior characterization via clustering in the features space and subsequent RSO classification. Additionally, Space Object Behavioral Ontologies (SOBO) are employed to define and capture the domain knowledge-base (KB) and BNs are constructed from the SOBO in a semi-automatic fashion to execute probabilistic reasoning over conclusions drawn from trained classifiers and/or directly from processed data. Such an approach enables integrating machine learning classifiers and probabilistic reasoning to support higher-level decision making for space domain awareness applications. The innovation here is to use these methods (which have enjoyed great success in other domains) in synergy so that it enables a "from data to discovery" paradigm by facilitating the linkage and fusion of large and disparate sources of information via a Big Data Science and Analytics framework.

Optimization of classification and regression analysis of four monoclonal antibodies from Raman spectra using collaborative machine learning approach.

PubMed

Le, Laetitia Minh Maï; Kégl, Balázs; Gramfort, Alexandre; Marini, Camille; Nguyen, David; Cherti, Mehdi; Tfaili, Sana; Tfayli, Ali; Baillet-Guffroy, Arlette; Prognon, Patrice; Chaminade, Pierre; Caudron, Eric

2018-07-01

The use of monoclonal antibodies (mAbs) constitutes one of the most important strategies to treat patients suffering from cancers such as hematological malignancies and solid tumors. These antibodies are prescribed by the physician and prepared by hospital pharmacists. An analytical control enables the quality of the preparations to be ensured. The aim of this study was to explore the development of a rapid analytical method for quality control. The method used four mAbs (Infliximab, Bevacizumab, Rituximab and Ramucirumab) at various concentrations and was based on recording Raman data and coupling them to a traditional chemometric and machine learning approach for data analysis. Compared to conventional linear approach, prediction errors are reduced with a data-driven approach using statistical machine learning methods. In the latter, preprocessing and predictive models are jointly optimized. An additional original aspect of the work involved on submitting the problem to a collaborative data challenge platform called Rapid Analytics and Model Prototyping (RAMP). This allowed using solutions from about 300 data scientists in collaborative work. Using machine learning, the prediction of the four mAbs samples was considerably improved. The best predictive model showed a combined error of 2.4% versus 14.6% using linear approach. The concentration and classification errors were 5.8% and 0.7%, only three spectra were misclassified over the 429 spectra of the test set. This large improvement obtained with machine learning techniques was uniform for all molecules but maximal for Bevacizumab with an 88.3% reduction on combined errors (2.1% versus 17.9%). Copyright © 2018 Elsevier B.V. All rights reserved.

Machine Learning in Medicine

PubMed Central

Deo, Rahul C.

2015-01-01

Spurred by advances in processing power, memory, storage, and an unprecedented wealth of data, computers are being asked to tackle increasingly complex learning tasks, often with astonishing success. Computers have now mastered a popular variant of poker, learned the laws of physics from experimental data, and become experts in video games – tasks which would have been deemed impossible not too long ago. In parallel, the number of companies centered on applying complex data analysis to varying industries has exploded, and it is thus unsurprising that some analytic companies are turning attention to problems in healthcare. The purpose of this review is to explore what problems in medicine might benefit from such learning approaches and use examples from the literature to introduce basic concepts in machine learning. It is important to note that seemingly large enough medical data sets and adequate learning algorithms have been available for many decades – and yet, although there are thousands of papers applying machine learning algorithms to medical data, very few have contributed meaningfully to clinical care. This lack of impact stands in stark contrast to the enormous relevance of machine learning to many other industries. Thus part of my effort will be to identify what obstacles there may be to changing the practice of medicine through statistical learning approaches, and discuss how these might be overcome. PMID:26572668

Exploring the Function Space of Deep-Learning Machines

NASA Astrophysics Data System (ADS)

Li, Bo; Saad, David

2018-06-01

The function space of deep-learning machines is investigated by studying growth in the entropy of functions of a given error with respect to a reference function, realized by a deep-learning machine. Using physics-inspired methods we study both sparsely and densely connected architectures to discover a layerwise convergence of candidate functions, marked by a corresponding reduction in entropy when approaching the reference function, gain insight into the importance of having a large number of layers, and observe phase transitions as the error increases.

Cognitive Machine-Learning Algorithm for Cardiac Imaging: A Pilot Study for Differentiating Constrictive Pericarditis From Restrictive Cardiomyopathy.

PubMed

Sengupta, Partho P; Huang, Yen-Min; Bansal, Manish; Ashrafi, Ali; Fisher, Matt; Shameer, Khader; Gall, Walt; Dudley, Joel T

2016-06-01

Associating a patient's profile with the memories of prototypical patients built through previous repeat clinical experience is a key process in clinical judgment. We hypothesized that a similar process using a cognitive computing tool would be well suited for learning and recalling multidimensional attributes of speckle tracking echocardiography data sets derived from patients with known constrictive pericarditis and restrictive cardiomyopathy. Clinical and echocardiographic data of 50 patients with constrictive pericarditis and 44 with restrictive cardiomyopathy were used for developing an associative memory classifier-based machine-learning algorithm. The speckle tracking echocardiography data were normalized in reference to 47 controls with no structural heart disease, and the diagnostic area under the receiver operating characteristic curve of the associative memory classifier was evaluated for differentiating constrictive pericarditis from restrictive cardiomyopathy. Using only speckle tracking echocardiography variables, associative memory classifier achieved a diagnostic area under the curve of 89.2%, which improved to 96.2% with addition of 4 echocardiographic variables. In comparison, the area under the curve of early diastolic mitral annular velocity and left ventricular longitudinal strain were 82.1% and 63.7%, respectively. Furthermore, the associative memory classifier demonstrated greater accuracy and shorter learning curves than other machine-learning approaches, with accuracy asymptotically approaching 90% after a training fraction of 0.3 and remaining flat at higher training fractions. This study demonstrates feasibility of a cognitive machine-learning approach for learning and recalling patterns observed during echocardiographic evaluations. Incorporation of machine-learning algorithms in cardiac imaging may aid standardized assessments and support the quality of interpretations, particularly for novice readers with limited experience. © 2016 American Heart Association, Inc.

Machine Learning Methods for Attack Detection in the Smart Grid.

PubMed

Ozay, Mete; Esnaola, Inaki; Yarman Vural, Fatos Tunay; Kulkarni, Sanjeev R; Poor, H Vincent

2016-08-01

Attack detection problems in the smart grid are posed as statistical learning problems for different attack scenarios in which the measurements are observed in batch or online settings. In this approach, machine learning algorithms are used to classify measurements as being either secure or attacked. An attack detection framework is provided to exploit any available prior knowledge about the system and surmount constraints arising from the sparse structure of the problem in the proposed approach. Well-known batch and online learning algorithms (supervised and semisupervised) are employed with decision- and feature-level fusion to model the attack detection problem. The relationships between statistical and geometric properties of attack vectors employed in the attack scenarios and learning algorithms are analyzed to detect unobservable attacks using statistical learning methods. The proposed algorithms are examined on various IEEE test systems. Experimental analyses show that machine learning algorithms can detect attacks with performances higher than attack detection algorithms that employ state vector estimation methods in the proposed attack detection framework.

Episode forecasting in bipolar disorder: Is energy better than mood?

PubMed

Ortiz, Abigail; Bradler, Kamil; Hintze, Arend

2018-01-22

Bipolar disorder is a severe mood disorder characterized by alternating episodes of mania and depression. Several interventions have been developed to decrease high admission rates and high suicides rates associated with the illness, including psychoeducation and early episode detection, with mixed results. More recently, machine learning approaches have been used to aid clinical diagnosis or to detect a particular clinical state; however, contradictory results arise from confusion around which of the several automatically generated data are the most contributory and useful to detect a particular clinical state. Our aim for this study was to apply machine learning techniques and nonlinear analyses to a physiological time series dataset in order to find the best predictor for forecasting episodes in mood disorders. We employed three different techniques: entropy calculations and two different machine learning approaches (genetic programming and Markov Brains as classifiers) to determine whether mood, energy or sleep was the best predictor to forecast a mood episode in a physiological time series. Evening energy was the best predictor for both manic and depressive episodes in each of the three aforementioned techniques. This suggests that energy might be a better predictor than mood for forecasting mood episodes in bipolar disorder and that these particular machine learning approaches are valuable tools to be used clinically. Energy should be considered as an important factor for episode prediction. Machine learning approaches provide better tools to forecast episodes and to increase our understanding of the processes that underlie mood regulation. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Amp: A modular approach to machine learning in atomistic simulations

NASA Astrophysics Data System (ADS)

Khorshidi, Alireza; Peterson, Andrew A.

2016-10-01

Electronic structure calculations, such as those employing Kohn-Sham density functional theory or ab initio wavefunction theories, have allowed for atomistic-level understandings of a wide variety of phenomena and properties of matter at small scales. However, the computational cost of electronic structure methods drastically increases with length and time scales, which makes these methods difficult for long time-scale molecular dynamics simulations or large-sized systems. Machine-learning techniques can provide accurate potentials that can match the quality of electronic structure calculations, provided sufficient training data. These potentials can then be used to rapidly simulate large and long time-scale phenomena at similar quality to the parent electronic structure approach. Machine-learning potentials usually take a bias-free mathematical form and can be readily developed for a wide variety of systems. Electronic structure calculations have favorable properties-namely that they are noiseless and targeted training data can be produced on-demand-that make them particularly well-suited for machine learning. This paper discusses our modular approach to atomistic machine learning through the development of the open-source Atomistic Machine-learning Package (Amp), which allows for representations of both the total and atom-centered potential energy surface, in both periodic and non-periodic systems. Potentials developed through the atom-centered approach are simultaneously applicable for systems with various sizes. Interpolation can be enhanced by introducing custom descriptors of the local environment. We demonstrate this in the current work for Gaussian-type, bispectrum, and Zernike-type descriptors. Amp has an intuitive and modular structure with an interface through the python scripting language yet has parallelizable fortran components for demanding tasks; it is designed to integrate closely with the widely used Atomic Simulation Environment (ASE), which makes it compatible with a wide variety of commercial and open-source electronic structure codes. We finally demonstrate that the neural network model inside Amp can accurately interpolate electronic structure energies as well as forces of thousands of multi-species atomic systems.

Proceedings of the Workshop on Change of Representation and Problem Reformulation

NASA Technical Reports Server (NTRS)

Lowry, Michael R.

1992-01-01

The proceedings of the third Workshop on Change of representation and Problem Reformulation is presented. In contrast to the first two workshops, this workshop was focused on analytic or knowledge-based approaches, as opposed to statistical or empirical approaches called 'constructive induction'. The organizing committee believes that there is a potential for combining analytic and inductive approaches at a future date. However, it became apparent at the previous two workshops that the communities pursuing these different approaches are currently interested in largely non-overlapping issues. The constructive induction community has been holding its own workshops, principally in conjunction with the machine learning conference. While this workshop is more focused on analytic approaches, the organizing committee has made an effort to include more application domains. We have greatly expanded from the origins in the machine learning community. Participants in this workshop come from the full spectrum of AI application domains including planning, qualitative physics, software engineering, knowledge representation, and machine learning.

Hardware Acceleration of Adaptive Neural Algorithms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

James, Conrad D.

As tradit ional numerical computing has faced challenges, researchers have turned towards alternative computing approaches to reduce power - per - computation metrics and improve algorithm performance. Here, we describe an approach towards non - conventional computing that strengthens the connection between machine learning and neuroscience concepts. The Hardware Acceleration of Adaptive Neural Algorithms (HAANA) project ha s develop ed neural machine learning algorithms and hardware for applications in image processing and cybersecurity. While machine learning methods are effective at extracting relevant features from many types of data, the effectiveness of these algorithms degrades when subjected to real - worldmore » conditions. Our team has generated novel neural - inspired approa ches to improve the resiliency and adaptability of machine learning algorithms. In addition, we have also designed and fabricated hardware architectures and microelectronic devices specifically tuned towards the training and inference operations of neural - inspired algorithms. Finally, our multi - scale simulation framework allows us to assess the impact of microelectronic device properties on algorithm performance.« less

Quantum annealing versus classical machine learning applied to a simplified computational biology problem

NASA Astrophysics Data System (ADS)

Li, Richard Y.; Di Felice, Rosa; Rohs, Remo; Lidar, Daniel A.

2018-03-01

Transcription factors regulate gene expression, but how these proteins recognize and specifically bind to their DNA targets is still debated. Machine learning models are effective means to reveal interaction mechanisms. Here we studied the ability of a quantum machine learning approach to classify and rank binding affinities. Using simplified data sets of a small number of DNA sequences derived from actual binding affinity experiments, we trained a commercially available quantum annealer to classify and rank transcription factor binding. The results were compared to state-of-the-art classical approaches for the same simplified data sets, including simulated annealing, simulated quantum annealing, multiple linear regression, LASSO, and extreme gradient boosting. Despite technological limitations, we find a slight advantage in classification performance and nearly equal ranking performance using the quantum annealer for these fairly small training data sets. Thus, we propose that quantum annealing might be an effective method to implement machine learning for certain computational biology problems.

A Critical Review for Developing Accurate and Dynamic Predictive Models Using Machine Learning Methods in Medicine and Health Care.

PubMed

Alanazi, Hamdan O; Abdullah, Abdul Hanan; Qureshi, Kashif Naseer

2017-04-01

Recently, Artificial Intelligence (AI) has been used widely in medicine and health care sector. In machine learning, the classification or prediction is a major field of AI. Today, the study of existing predictive models based on machine learning methods is extremely active. Doctors need accurate predictions for the outcomes of their patients' diseases. In addition, for accurate predictions, timing is another significant factor that influences treatment decisions. In this paper, existing predictive models in medicine and health care have critically reviewed. Furthermore, the most famous machine learning methods have explained, and the confusion between a statistical approach and machine learning has clarified. A review of related literature reveals that the predictions of existing predictive models differ even when the same dataset is used. Therefore, existing predictive models are essential, and current methods must be improved.

Harnessing information from injury narratives in the 'big data' era: understanding and applying machine learning for injury surveillance.

PubMed

Vallmuur, Kirsten; Marucci-Wellman, Helen R; Taylor, Jennifer A; Lehto, Mark; Corns, Helen L; Smith, Gordon S

2016-04-01

Vast amounts of injury narratives are collected daily and are available electronically in real time and have great potential for use in injury surveillance and evaluation. Machine learning algorithms have been developed to assist in identifying cases and classifying mechanisms leading to injury in a much timelier manner than is possible when relying on manual coding of narratives. The aim of this paper is to describe the background, growth, value, challenges and future directions of machine learning as applied to injury surveillance. This paper reviews key aspects of machine learning using injury narratives, providing a case study to demonstrate an application to an established human-machine learning approach. The range of applications and utility of narrative text has increased greatly with advancements in computing techniques over time. Practical and feasible methods exist for semiautomatic classification of injury narratives which are accurate, efficient and meaningful. The human-machine learning approach described in the case study achieved high sensitivity and PPV and reduced the need for human coding to less than a third of cases in one large occupational injury database. The last 20 years have seen a dramatic change in the potential for technological advancements in injury surveillance. Machine learning of 'big injury narrative data' opens up many possibilities for expanded sources of data which can provide more comprehensive, ongoing and timely surveillance to inform future injury prevention policy and practice. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Machine learning approaches to the social determinants of health in the health and retirement study.

PubMed

Seligman, Benjamin; Tuljapurkar, Shripad; Rehkopf, David

2018-04-01

Social and economic factors are important predictors of health and of recognized importance for health systems. However, machine learning, used elsewhere in the biomedical literature, has not been extensively applied to study relationships between society and health. We investigate how machine learning may add to our understanding of social determinants of health using data from the Health and Retirement Study. A linear regression of age and gender, and a parsimonious theory-based regression additionally incorporating income, wealth, and education, were used to predict systolic blood pressure, body mass index, waist circumference, and telomere length. Prediction, fit, and interpretability were compared across four machine learning methods: linear regression, penalized regressions, random forests, and neural networks. All models had poor out-of-sample prediction. Most machine learning models performed similarly to the simpler models. However, neural networks greatly outperformed the three other methods. Neural networks also had good fit to the data ( R 2 between 0.4-0.6, versus <0.3 for all others). Across machine learning models, nine variables were frequently selected or highly weighted as predictors: dental visits, current smoking, self-rated health, serial-seven subtractions, probability of receiving an inheritance, probability of leaving an inheritance of at least $10,000, number of children ever born, African-American race, and gender. Some of the machine learning methods do not improve prediction or fit beyond simpler models, however, neural networks performed well. The predictors identified across models suggest underlying social factors that are important predictors of biological indicators of chronic disease, and that the non-linear and interactive relationships between variables fundamental to the neural network approach may be important to consider.

Fifty years of computer analysis in chest imaging: rule-based, machine learning, deep learning.

PubMed

van Ginneken, Bram

2017-03-01

Half a century ago, the term "computer-aided diagnosis" (CAD) was introduced in the scientific literature. Pulmonary imaging, with chest radiography and computed tomography, has always been one of the focus areas in this field. In this study, I describe how machine learning became the dominant technology for tackling CAD in the lungs, generally producing better results than do classical rule-based approaches, and how the field is now rapidly changing: in the last few years, we have seen how even better results can be obtained with deep learning. The key differences among rule-based processing, machine learning, and deep learning are summarized and illustrated for various applications of CAD in the chest.

Machine Learning Based Classification of Microsatellite Variation: An Effective Approach for Phylogeographic Characterization of Olive Populations.

PubMed

Torkzaban, Bahareh; Kayvanjoo, Amir Hossein; Ardalan, Arman; Mousavi, Soraya; Mariotti, Roberto; Baldoni, Luciana; Ebrahimie, Esmaeil; Ebrahimi, Mansour; Hosseini-Mazinani, Mehdi

2015-01-01

Finding efficient analytical techniques is overwhelmingly turning into a bottleneck for the effectiveness of large biological data. Machine learning offers a novel and powerful tool to advance classification and modeling solutions in molecular biology. However, these methods have been less frequently used with empirical population genetics data. In this study, we developed a new combined approach of data analysis using microsatellite marker data from our previous studies of olive populations using machine learning algorithms. Herein, 267 olive accessions of various origins including 21 reference cultivars, 132 local ecotypes, and 37 wild olive specimens from the Iranian plateau, together with 77 of the most represented Mediterranean varieties were investigated using a finely selected panel of 11 microsatellite markers. We organized data in two '4-targeted' and '16-targeted' experiments. A strategy of assaying different machine based analyses (i.e. data cleaning, feature selection, and machine learning classification) was devised to identify the most informative loci and the most diagnostic alleles to represent the population and the geography of each olive accession. These analyses revealed microsatellite markers with the highest differentiating capacity and proved efficiency for our method of clustering olive accessions to reflect upon their regions of origin. A distinguished highlight of this study was the discovery of the best combination of markers for better differentiating of populations via machine learning models, which can be exploited to distinguish among other biological populations.

Identifying Green Infrastructure from Social Media and Crowdsourcing- An Image Based Machine-Learning Approach.

NASA Astrophysics Data System (ADS)

Rai, A.; Minsker, B. S.

2016-12-01

In this work we introduce a novel dataset GRID: GReen Infrastructure Detection Dataset and a framework for identifying urban green storm water infrastructure (GI) designs (wetlands/ponds, urban trees, and rain gardens/bioswales) from social media and satellite aerial images using computer vision and machine learning methods. Along with the hydrologic benefits of GI, such as reducing runoff volumes and urban heat islands, GI also provides important socio-economic benefits such as stress recovery and community cohesion. However, GI is installed by many different parties and cities typically do not know where GI is located, making study of its impacts or siting new GI difficult. We use object recognition learning methods (template matching, sliding window approach, and Random Hough Forest method) and supervised machine learning algorithms (e.g., support vector machines) as initial screening approaches to detect potential GI sites, which can then be investigated in more detail using on-site surveys. Training data were collected from GPS locations of Flickr and Instagram image postings and Amazon Mechanical Turk identification of each GI type. Sliding window method outperformed other methods and achieved an average F measure, which is combined metric for precision and recall performance measure of 0.78.

A Machine Learning Approach to Student Modeling.

DTIC Science & Technology

1984-05-01

machine learning , and describe ACN, a student modeling system that incorporates this approach. This system begins with a set of overly general rules, which it uses to search a problem space until it arrives at the same answer as the student. The ACM computer program then uses the solution path it has discovered to determine positive and negative instances of its initial rules, and employs a discrimination learning mechanism to place additional conditions on these rules. The revised rules will reproduce the solution path without search, and constitute a cognitive model of

Identifying relevant data for a biological database: handcrafted rules versus machine learning.

PubMed

Sehgal, Aditya Kumar; Das, Sanmay; Noto, Keith; Saier, Milton H; Elkan, Charles

2011-01-01

With well over 1,000 specialized biological databases in use today, the task of automatically identifying novel, relevant data for such databases is increasingly important. In this paper, we describe practical machine learning approaches for identifying MEDLINE documents and Swiss-Prot/TrEMBL protein records, for incorporation into a specialized biological database of transport proteins named TCDB. We show that both learning approaches outperform rules created by hand by a human expert. As one of the first case studies involving two different approaches to updating a deployed database, both the methods compared and the results will be of interest to curators of many specialized databases.

Interactive machine learning for health informatics: when do we need the human-in-the-loop?

PubMed

Holzinger, Andreas

2016-06-01

Machine learning (ML) is the fastest growing field in computer science, and health informatics is among the greatest challenges. The goal of ML is to develop algorithms which can learn and improve over time and can be used for predictions. Most ML researchers concentrate on automatic machine learning (aML), where great advances have been made, for example, in speech recognition, recommender systems, or autonomous vehicles. Automatic approaches greatly benefit from big data with many training sets. However, in the health domain, sometimes we are confronted with a small number of data sets or rare events, where aML-approaches suffer of insufficient training samples. Here interactive machine learning (iML) may be of help, having its roots in reinforcement learning, preference learning, and active learning. The term iML is not yet well used, so we define it as "algorithms that can interact with agents and can optimize their learning behavior through these interactions, where the agents can also be human." This "human-in-the-loop" can be beneficial in solving computationally hard problems, e.g., subspace clustering, protein folding, or k-anonymization of health data, where human expertise can help to reduce an exponential search space through heuristic selection of samples. Therefore, what would otherwise be an NP-hard problem, reduces greatly in complexity through the input and the assistance of a human agent involved in the learning phase.

Experimental Machine Learning of Quantum States

NASA Astrophysics Data System (ADS)

Gao, Jun; Qiao, Lu-Feng; Jiao, Zhi-Qiang; Ma, Yue-Chi; Hu, Cheng-Qiu; Ren, Ruo-Jing; Yang, Ai-Lin; Tang, Hao; Yung, Man-Hong; Jin, Xian-Min

2018-06-01

Quantum information technologies provide promising applications in communication and computation, while machine learning has become a powerful technique for extracting meaningful structures in "big data." A crossover between quantum information and machine learning represents a new interdisciplinary area stimulating progress in both fields. Traditionally, a quantum state is characterized by quantum-state tomography, which is a resource-consuming process when scaled up. Here we experimentally demonstrate a machine-learning approach to construct a quantum-state classifier for identifying the separability of quantum states. We show that it is possible to experimentally train an artificial neural network to efficiently learn and classify quantum states, without the need of obtaining the full information of the states. We also show how adding a hidden layer of neurons to the neural network can significantly boost the performance of the state classifier. These results shed new light on how classification of quantum states can be achieved with limited resources, and represent a step towards machine-learning-based applications in quantum information processing.

Quantum neural network based machine translator for Hindi to English.

PubMed

Narayan, Ravi; Singh, V P; Chakraverty, S

2014-01-01

This paper presents the machine learning based machine translation system for Hindi to English, which learns the semantically correct corpus. The quantum neural based pattern recognizer is used to recognize and learn the pattern of corpus, using the information of part of speech of individual word in the corpus, like a human. The system performs the machine translation using its knowledge gained during the learning by inputting the pair of sentences of Devnagri-Hindi and English. To analyze the effectiveness of the proposed approach, 2600 sentences have been evaluated during simulation and evaluation. The accuracy achieved on BLEU score is 0.7502, on NIST score is 6.5773, on ROUGE-L score is 0.9233, and on METEOR score is 0.5456, which is significantly higher in comparison with Google Translation and Bing Translation for Hindi to English Machine Translation.

A Novel Extreme Learning Machine Classification Model for e-Nose Application Based on the Multiple Kernel Approach.

PubMed

Jian, Yulin; Huang, Daoyu; Yan, Jia; Lu, Kun; Huang, Ying; Wen, Tailai; Zeng, Tanyue; Zhong, Shijie; Xie, Qilong

2017-06-19

A novel classification model, named the quantum-behaved particle swarm optimization (QPSO)-based weighted multiple kernel extreme learning machine (QWMK-ELM), is proposed in this paper. Experimental validation is carried out with two different electronic nose (e-nose) datasets. Being different from the existing multiple kernel extreme learning machine (MK-ELM) algorithms, the combination coefficients of base kernels are regarded as external parameters of single-hidden layer feedforward neural networks (SLFNs). The combination coefficients of base kernels, the model parameters of each base kernel, and the regularization parameter are optimized by QPSO simultaneously before implementing the kernel extreme learning machine (KELM) with the composite kernel function. Four types of common single kernel functions (Gaussian kernel, polynomial kernel, sigmoid kernel, and wavelet kernel) are utilized to constitute different composite kernel functions. Moreover, the method is also compared with other existing classification methods: extreme learning machine (ELM), kernel extreme learning machine (KELM), k-nearest neighbors (KNN), support vector machine (SVM), multi-layer perceptron (MLP), radical basis function neural network (RBFNN), and probabilistic neural network (PNN). The results have demonstrated that the proposed QWMK-ELM outperforms the aforementioned methods, not only in precision, but also in efficiency for gas classification.

Semi-supervised prediction of gene regulatory networks using machine learning algorithms.

PubMed

Patel, Nihir; Wang, Jason T L

2015-10-01

Use of computational methods to predict gene regulatory networks (GRNs) from gene expression data is a challenging task. Many studies have been conducted using unsupervised methods to fulfill the task; however, such methods usually yield low prediction accuracies due to the lack of training data. In this article, we propose semi-supervised methods for GRN prediction by utilizing two machine learning algorithms, namely, support vector machines (SVM) and random forests (RF). The semi-supervised methods make use of unlabelled data for training. We investigated inductive and transductive learning approaches, both of which adopt an iterative procedure to obtain reliable negative training data from the unlabelled data. We then applied our semi-supervised methods to gene expression data of Escherichia coli and Saccharomyces cerevisiae, and evaluated the performance of our methods using the expression data. Our analysis indicated that the transductive learning approach outperformed the inductive learning approach for both organisms. However, there was no conclusive difference identified in the performance of SVM and RF. Experimental results also showed that the proposed semi-supervised methods performed better than existing supervised methods for both organisms.

Decision tree and ensemble learning algorithms with their applications in bioinformatics.

PubMed

Che, Dongsheng; Liu, Qi; Rasheed, Khaled; Tao, Xiuping

2011-01-01

Machine learning approaches have wide applications in bioinformatics, and decision tree is one of the successful approaches applied in this field. In this chapter, we briefly review decision tree and related ensemble algorithms and show the successful applications of such approaches on solving biological problems. We hope that by learning the algorithms of decision trees and ensemble classifiers, biologists can get the basic ideas of how machine learning algorithms work. On the other hand, by being exposed to the applications of decision trees and ensemble algorithms in bioinformatics, computer scientists can get better ideas of which bioinformatics topics they may work on in their future research directions. We aim to provide a platform to bridge the gap between biologists and computer scientists.

Artificial intelligence expert systems with neural network machine learning may assist decision-making for extractions in orthodontic treatment planning.

PubMed

Takada, Kenji

2016-09-01

New approach for the diagnosis of extractions with neural network machine learning. Seok-Ki Jung and Tae-Woo Kim. Am J Orthod Dentofacial Orthop 2016;149:127-33. Not reported. Mathematical modeling. Copyright © 2016 Elsevier Inc. All rights reserved.

Distinguishing Asthma Phenotypes Using Machine Learning Approaches.

PubMed

Howard, Rebecca; Rattray, Magnus; Prosperi, Mattia; Custovic, Adnan

2015-07-01

Asthma is not a single disease, but an umbrella term for a number of distinct diseases, each of which are caused by a distinct underlying pathophysiological mechanism. These discrete disease entities are often labelled as 'asthma endotypes'. The discovery of different asthma subtypes has moved from subjective approaches in which putative phenotypes are assigned by experts to data-driven ones which incorporate machine learning. This review focuses on the methodological developments of one such machine learning technique-latent class analysis-and how it has contributed to distinguishing asthma and wheezing subtypes in childhood. It also gives a clinical perspective, presenting the findings of studies from the past 5 years that used this approach. The identification of true asthma endotypes may be a crucial step towards understanding their distinct pathophysiological mechanisms, which could ultimately lead to more precise prevention strategies, identification of novel therapeutic targets and the development of effective personalized therapies.

Analysis of spectrally resolved autofluorescence images by support vector machines

NASA Astrophysics Data System (ADS)

Mateasik, A.; Chorvat, D.; Chorvatova, A.

2013-02-01

Spectral analysis of the autofluorescence images of isolated cardiac cells was performed to evaluate and to classify the metabolic state of the cells in respect to the responses to metabolic modulators. The classification was done using machine learning approach based on support vector machine with the set of the automatically calculated features from recorded spectral profile of spectral autofluorescence images. This classification method was compared with the classical approach where the individual spectral components contributing to cell autofluorescence were estimated by spectral analysis, namely by blind source separation using non-negative matrix factorization. Comparison of both methods showed that machine learning can effectively classify the spectrally resolved autofluorescence images without the need of detailed knowledge about the sources of autofluorescence and their spectral properties.

Oceanic eddy detection and lifetime forecast using machine learning methods

NASA Astrophysics Data System (ADS)

Ashkezari, Mohammad D.; Hill, Christopher N.; Follett, Christopher N.; Forget, Gaël.; Follows, Michael J.

2016-12-01

We report a novel altimetry-based machine learning approach for eddy identification and characterization. The machine learning models use daily maps of geostrophic velocity anomalies and are trained according to the phase angle between the zonal and meridional components at each grid point. The trained models are then used to identify the corresponding eddy phase patterns and to predict the lifetime of a detected eddy structure. The performance of the proposed method is examined at two dynamically different regions to demonstrate its robust behavior and region independency.

Application of machine learning techniques to lepton energy reconstruction in water Cherenkov detectors

NASA Astrophysics Data System (ADS)

Drakopoulou, E.; Cowan, G. A.; Needham, M. D.; Playfer, S.; Taani, M.

2018-04-01

The application of machine learning techniques to the reconstruction of lepton energies in water Cherenkov detectors is discussed and illustrated for TITUS, a proposed intermediate detector for the Hyper-Kamiokande experiment. It is found that applying these techniques leads to an improvement of more than 50% in the energy resolution for all lepton energies compared to an approach based upon lookup tables. Machine learning techniques can be easily applied to different detector configurations and the results are comparable to likelihood-function based techniques that are currently used.

What subject matter questions motivate the use of machine learning approaches compared to statistical models for probability prediction?

PubMed

Binder, Harald

2014-07-01

This is a discussion of the following papers: "Probability estimation with machine learning methods for dichotomous and multicategory outcome: Theory" by Jochen Kruppa, Yufeng Liu, Gérard Biau, Michael Kohler, Inke R. König, James D. Malley, and Andreas Ziegler; and "Probability estimation with machine learning methods for dichotomous and multicategory outcome: Applications" by Jochen Kruppa, Yufeng Liu, Hans-Christian Diener, Theresa Holste, Christian Weimar, Inke R. König, and Andreas Ziegler. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Machine Learning in Medicine.

PubMed

Deo, Rahul C

2015-11-17

Spurred by advances in processing power, memory, storage, and an unprecedented wealth of data, computers are being asked to tackle increasingly complex learning tasks, often with astonishing success. Computers have now mastered a popular variant of poker, learned the laws of physics from experimental data, and become experts in video games - tasks that would have been deemed impossible not too long ago. In parallel, the number of companies centered on applying complex data analysis to varying industries has exploded, and it is thus unsurprising that some analytic companies are turning attention to problems in health care. The purpose of this review is to explore what problems in medicine might benefit from such learning approaches and use examples from the literature to introduce basic concepts in machine learning. It is important to note that seemingly large enough medical data sets and adequate learning algorithms have been available for many decades, and yet, although there are thousands of papers applying machine learning algorithms to medical data, very few have contributed meaningfully to clinical care. This lack of impact stands in stark contrast to the enormous relevance of machine learning to many other industries. Thus, part of my effort will be to identify what obstacles there may be to changing the practice of medicine through statistical learning approaches, and discuss how these might be overcome. © 2015 American Heart Association, Inc.

Exploring prediction uncertainty of spatial data in geostatistical and machine learning Approaches

NASA Astrophysics Data System (ADS)

Klump, J. F.; Fouedjio, F.

2017-12-01

Geostatistical methods such as kriging with external drift as well as machine learning techniques such as quantile regression forest have been intensively used for modelling spatial data. In addition to providing predictions for target variables, both approaches are able to deliver a quantification of the uncertainty associated with the prediction at a target location. Geostatistical approaches are, by essence, adequate for providing such prediction uncertainties and their behaviour is well understood. However, they often require significant data pre-processing and rely on assumptions that are rarely met in practice. Machine learning algorithms such as random forest regression, on the other hand, require less data pre-processing and are non-parametric. This makes the application of machine learning algorithms to geostatistical problems an attractive proposition. The objective of this study is to compare kriging with external drift and quantile regression forest with respect to their ability to deliver reliable prediction uncertainties of spatial data. In our comparison we use both simulated and real world datasets. Apart from classical performance indicators, comparisons make use of accuracy plots, probability interval width plots, and the visual examinations of the uncertainty maps provided by the two approaches. By comparing random forest regression to kriging we found that both methods produced comparable maps of estimated values for our variables of interest. However, the measure of uncertainty provided by random forest seems to be quite different to the measure of uncertainty provided by kriging. In particular, the lack of spatial context can give misleading results in areas without ground truth data. These preliminary results raise questions about assessing the risks associated with decisions based on the predictions from geostatistical and machine learning algorithms in a spatial context, e.g. mineral exploration.

Piece-wise quadratic approximations of arbitrary error functions for fast and robust machine learning.

PubMed

Gorban, A N; Mirkes, E M; Zinovyev, A

2016-12-01

Most of machine learning approaches have stemmed from the application of minimizing the mean squared distance principle, based on the computationally efficient quadratic optimization methods. However, when faced with high-dimensional and noisy data, the quadratic error functionals demonstrated many weaknesses including high sensitivity to contaminating factors and dimensionality curse. Therefore, a lot of recent applications in machine learning exploited properties of non-quadratic error functionals based on L 1 norm or even sub-linear potentials corresponding to quasinorms L p (0

Prediction of breast cancer risk using a machine learning approach embedded with a locality preserving projection algorithm.

PubMed

Heidari, Morteza; Khuzani, Abolfazl Zargari; Hollingsworth, Alan B; Danala, Gopichandh; Mirniaharikandehei, Seyedehnafiseh; Qiu, Yuchen; Liu, Hong; Zheng, Bin

2018-01-30

In order to automatically identify a set of effective mammographic image features and build an optimal breast cancer risk stratification model, this study aims to investigate advantages of applying a machine learning approach embedded with a locally preserving projection (LPP) based feature combination and regeneration algorithm to predict short-term breast cancer risk. A dataset involving negative mammograms acquired from 500 women was assembled. This dataset was divided into two age-matched classes of 250 high risk cases in which cancer was detected in the next subsequent mammography screening and 250 low risk cases, which remained negative. First, a computer-aided image processing scheme was applied to segment fibro-glandular tissue depicted on mammograms and initially compute 44 features related to the bilateral asymmetry of mammographic tissue density distribution between left and right breasts. Next, a multi-feature fusion based machine learning classifier was built to predict the risk of cancer detection in the next mammography screening. A leave-one-case-out (LOCO) cross-validation method was applied to train and test the machine learning classifier embedded with a LLP algorithm, which generated a new operational vector with 4 features using a maximal variance approach in each LOCO process. Results showed a 9.7% increase in risk prediction accuracy when using this LPP-embedded machine learning approach. An increased trend of adjusted odds ratios was also detected in which odds ratios increased from 1.0 to 11.2. This study demonstrated that applying the LPP algorithm effectively reduced feature dimensionality, and yielded higher and potentially more robust performance in predicting short-term breast cancer risk.

Prediction of breast cancer risk using a machine learning approach embedded with a locality preserving projection algorithm

NASA Astrophysics Data System (ADS)

Heidari, Morteza; Zargari Khuzani, Abolfazl; Hollingsworth, Alan B.; Danala, Gopichandh; Mirniaharikandehei, Seyedehnafiseh; Qiu, Yuchen; Liu, Hong; Zheng, Bin

2018-02-01

In order to automatically identify a set of effective mammographic image features and build an optimal breast cancer risk stratification model, this study aims to investigate advantages of applying a machine learning approach embedded with a locally preserving projection (LPP) based feature combination and regeneration algorithm to predict short-term breast cancer risk. A dataset involving negative mammograms acquired from 500 women was assembled. This dataset was divided into two age-matched classes of 250 high risk cases in which cancer was detected in the next subsequent mammography screening and 250 low risk cases, which remained negative. First, a computer-aided image processing scheme was applied to segment fibro-glandular tissue depicted on mammograms and initially compute 44 features related to the bilateral asymmetry of mammographic tissue density distribution between left and right breasts. Next, a multi-feature fusion based machine learning classifier was built to predict the risk of cancer detection in the next mammography screening. A leave-one-case-out (LOCO) cross-validation method was applied to train and test the machine learning classifier embedded with a LLP algorithm, which generated a new operational vector with 4 features using a maximal variance approach in each LOCO process. Results showed a 9.7% increase in risk prediction accuracy when using this LPP-embedded machine learning approach. An increased trend of adjusted odds ratios was also detected in which odds ratios increased from 1.0 to 11.2. This study demonstrated that applying the LPP algorithm effectively reduced feature dimensionality, and yielded higher and potentially more robust performance in predicting short-term breast cancer risk.

A New Mathematical Framework for Design Under Uncertainty

DTIC Science & Technology

2016-05-05

blending multiple information sources via auto-regressive stochastic modeling. A computationally efficient machine learning framework is developed based on...sion and machine learning approaches; see Fig. 1. This will lead to a comprehensive description of system performance with less uncertainty than in the...Bayesian optimization of super-cavitating hy- drofoils The goal of this study is to demonstrate the capabilities of statistical learning and

Energy-free machine learning force field for aluminum.

PubMed

Kruglov, Ivan; Sergeev, Oleg; Yanilkin, Alexey; Oganov, Artem R

2017-08-17

We used the machine learning technique of Li et al. (PRL 114, 2015) for molecular dynamics simulations. Atomic configurations were described by feature matrix based on internal vectors, and linear regression was used as a learning technique. We implemented this approach in the LAMMPS code. The method was applied to crystalline and liquid aluminum and uranium at different temperatures and densities, and showed the highest accuracy among different published potentials. Phonon density of states, entropy and melting temperature of aluminum were calculated using this machine learning potential. The results are in excellent agreement with experimental data and results of full ab initio calculations.

Toward accelerating landslide mapping with interactive machine learning techniques

NASA Astrophysics Data System (ADS)

Stumpf, André; Lachiche, Nicolas; Malet, Jean-Philippe; Kerle, Norman; Puissant, Anne

2013-04-01

Despite important advances in the development of more automated methods for landslide mapping from optical remote sensing images, the elaboration of inventory maps after major triggering events still remains a tedious task. Image classification with expert defined rules typically still requires significant manual labour for the elaboration and adaption of rule sets for each particular case. Machine learning algorithm, on the contrary, have the ability to learn and identify complex image patterns from labelled examples but may require relatively large amounts of training data. In order to reduce the amount of required training data active learning has evolved as key concept to guide the sampling for applications such as document classification, genetics and remote sensing. The general underlying idea of most active learning approaches is to initialize a machine learning model with a small training set, and to subsequently exploit the model state and/or the data structure to iteratively select the most valuable samples that should be labelled by the user and added in the training set. With relatively few queries and labelled samples, an active learning strategy should ideally yield at least the same accuracy than an equivalent classifier trained with many randomly selected samples. Our study was dedicated to the development of an active learning approach for landslide mapping from VHR remote sensing images with special consideration of the spatial distribution of the samples. The developed approach is a region-based query heuristic that enables to guide the user attention towards few compact spatial batches rather than distributed points resulting in time savings of 50% and more compared to standard active learning techniques. The approach was tested with multi-temporal and multi-sensor satellite images capturing recent large scale triggering events in Brazil and China and demonstrated balanced user's and producer's accuracies between 74% and 80%. The assessment also included an experimental evaluation of the uncertainties of manual mappings from multiple experts and demonstrated strong relationships between the uncertainty of the experts and the machine learning model.

Quantum Neural Network Based Machine Translator for Hindi to English

PubMed Central

Singh, V. P.; Chakraverty, S.

2014-01-01

This paper presents the machine learning based machine translation system for Hindi to English, which learns the semantically correct corpus. The quantum neural based pattern recognizer is used to recognize and learn the pattern of corpus, using the information of part of speech of individual word in the corpus, like a human. The system performs the machine translation using its knowledge gained during the learning by inputting the pair of sentences of Devnagri-Hindi and English. To analyze the effectiveness of the proposed approach, 2600 sentences have been evaluated during simulation and evaluation. The accuracy achieved on BLEU score is 0.7502, on NIST score is 6.5773, on ROUGE-L score is 0.9233, and on METEOR score is 0.5456, which is significantly higher in comparison with Google Translation and Bing Translation for Hindi to English Machine Translation. PMID:24977198

Visible Machine Learning for Biomedicine.

PubMed

Yu, Michael K; Ma, Jianzhu; Fisher, Jasmin; Kreisberg, Jason F; Raphael, Benjamin J; Ideker, Trey

2018-06-14

A major ambition of artificial intelligence lies in translating patient data to successful therapies. Machine learning models face particular challenges in biomedicine, however, including handling of extreme data heterogeneity and lack of mechanistic insight into predictions. Here, we argue for "visible" approaches that guide model structure with experimental biology. Copyright © 2018. Published by Elsevier Inc.

Acquiring Software Design Schemas: A Machine Learning Perspective

NASA Technical Reports Server (NTRS)

Harandi, Mehdi T.; Lee, Hing-Yan

1991-01-01

In this paper, we describe an approach based on machine learning that acquires software design schemas from design cases of existing applications. An overview of the technique, design representation, and acquisition system are presented. the paper also addresses issues associated with generalizing common features such as biases. The generalization process is illustrated using an example.

Applications of Machine Learning for Radiation Therapy.

PubMed

Arimura, Hidetaka; Nakamoto, Takahiro

2016-01-01

Radiation therapy has been highly advanced as image guided radiation therapy (IGRT) by making advantage of image engineering technologies. Recently, novel frameworks based on image engineering technologies as well as machine learning technologies have been studied for sophisticating the radiation therapy. In this review paper, the author introduces several researches of applications of machine learning for radiation therapy. For examples, a method to determine the threshold values for standardized uptake value (SUV) for estimation of gross tumor volume (GTV) in positron emission tomography (PET) images, an approach to estimate the multileaf collimator (MLC) position errors between treatment plans and radiation delivery time, and prediction frameworks for esophageal stenosis and radiation pneumonitis risk after radiation therapy are described. Finally, the author introduces seven issues that one should consider when applying machine learning models to radiation therapy.

Automated Classification of Radiology Reports for Acute Lung Injury: Comparison of Keyword and Machine Learning Based Natural Language Processing Approaches.

PubMed

Solti, Imre; Cooke, Colin R; Xia, Fei; Wurfel, Mark M

2009-11-01

This paper compares the performance of keyword and machine learning-based chest x-ray report classification for Acute Lung Injury (ALI). ALI mortality is approximately 30 percent. High mortality is, in part, a consequence of delayed manual chest x-ray classification. An automated system could reduce the time to recognize ALI and lead to reductions in mortality. For our study, 96 and 857 chest x-ray reports in two corpora were labeled by domain experts for ALI. We developed a keyword and a Maximum Entropy-based classification system. Word unigram and character n-grams provided the features for the machine learning system. The Maximum Entropy algorithm with character 6-gram achieved the highest performance (Recall=0.91, Precision=0.90 and F-measure=0.91) on the 857-report corpus. This study has shown that for the classification of ALI chest x-ray reports, the machine learning approach is superior to the keyword based system and achieves comparable results to highest performing physician annotators.

Automated Classification of Radiology Reports for Acute Lung Injury: Comparison of Keyword and Machine Learning Based Natural Language Processing Approaches

PubMed Central

Solti, Imre; Cooke, Colin R.; Xia, Fei; Wurfel, Mark M.

2010-01-01

This paper compares the performance of keyword and machine learning-based chest x-ray report classification for Acute Lung Injury (ALI). ALI mortality is approximately 30 percent. High mortality is, in part, a consequence of delayed manual chest x-ray classification. An automated system could reduce the time to recognize ALI and lead to reductions in mortality. For our study, 96 and 857 chest x-ray reports in two corpora were labeled by domain experts for ALI. We developed a keyword and a Maximum Entropy-based classification system. Word unigram and character n-grams provided the features for the machine learning system. The Maximum Entropy algorithm with character 6-gram achieved the highest performance (Recall=0.91, Precision=0.90 and F-measure=0.91) on the 857-report corpus. This study has shown that for the classification of ALI chest x-ray reports, the machine learning approach is superior to the keyword based system and achieves comparable results to highest performing physician annotators. PMID:21152268

AstroML: Python-powered Machine Learning for Astronomy

NASA Astrophysics Data System (ADS)

Vander Plas, Jake; Connolly, A. J.; Ivezic, Z.

2014-01-01

As astronomical data sets grow in size and complexity, automated machine learning and data mining methods are becoming an increasingly fundamental component of research in the field. The astroML project (http://astroML.org) provides a common repository for practical examples of the data mining and machine learning tools used and developed by astronomical researchers, written in Python. The astroML module contains a host of general-purpose data analysis and machine learning routines, loaders for openly-available astronomical datasets, and fast implementations of specific computational methods often used in astronomy and astrophysics. The associated website features hundreds of examples of these routines being used for analysis of real astronomical datasets, while the associated textbook provides a curriculum resource for graduate-level courses focusing on practical statistics, machine learning, and data mining approaches within Astronomical research. This poster will highlight several of the more powerful and unique examples of analysis performed with astroML, all of which can be reproduced in their entirety on any computer with the proper packages installed.

Kernel Methods for Mining Instance Data in Ontologies

NASA Astrophysics Data System (ADS)

Bloehdorn, Stephan; Sure, York

The amount of ontologies and meta data available on the Web is constantly growing. The successful application of machine learning techniques for learning of ontologies from textual data, i.e. mining for the Semantic Web, contributes to this trend. However, no principal approaches exist so far for mining from the Semantic Web. We investigate how machine learning algorithms can be made amenable for directly taking advantage of the rich knowledge expressed in ontologies and associated instance data. Kernel methods have been successfully employed in various learning tasks and provide a clean framework for interfacing between non-vectorial data and machine learning algorithms. In this spirit, we express the problem of mining instances in ontologies as the problem of defining valid corresponding kernels. We present a principled framework for designing such kernels by means of decomposing the kernel computation into specialized kernels for selected characteristics of an ontology which can be flexibly assembled and tuned. Initial experiments on real world Semantic Web data enjoy promising results and show the usefulness of our approach.

Can machine learning complement traditional medical device surveillance? A case study of dual-chamber implantable cardioverter-defibrillators.

PubMed

Ross, Joseph S; Bates, Jonathan; Parzynski, Craig S; Akar, Joseph G; Curtis, Jeptha P; Desai, Nihar R; Freeman, James V; Gamble, Ginger M; Kuntz, Richard; Li, Shu-Xia; Marinac-Dabic, Danica; Masoudi, Frederick A; Normand, Sharon-Lise T; Ranasinghe, Isuru; Shaw, Richard E; Krumholz, Harlan M

2017-01-01

Machine learning methods may complement traditional analytic methods for medical device surveillance. Using data from the National Cardiovascular Data Registry for implantable cardioverter-defibrillators (ICDs) linked to Medicare administrative claims for longitudinal follow-up, we applied three statistical approaches to safety-signal detection for commonly used dual-chamber ICDs that used two propensity score (PS) models: one specified by subject-matter experts (PS-SME), and the other one by machine learning-based selection (PS-ML). The first approach used PS-SME and cumulative incidence (time-to-event), the second approach used PS-SME and cumulative risk (Data Extraction and Longitudinal Trend Analysis [DELTA]), and the third approach used PS-ML and cumulative risk (embedded feature selection). Safety-signal surveillance was conducted for eleven dual-chamber ICD models implanted at least 2,000 times over 3 years. Between 2006 and 2010, there were 71,948 Medicare fee-for-service beneficiaries who received dual-chamber ICDs. Cumulative device-specific unadjusted 3-year event rates varied for three surveyed safety signals: death from any cause, 12.8%-20.9%; nonfatal ICD-related adverse events, 19.3%-26.3%; and death from any cause or nonfatal ICD-related adverse event, 27.1%-37.6%. Agreement among safety signals detected/not detected between the time-to-event and DELTA approaches was 90.9% (360 of 396, k =0.068), between the time-to-event and embedded feature-selection approaches was 91.7% (363 of 396, k =-0.028), and between the DELTA and embedded feature selection approaches was 88.1% (349 of 396, k =-0.042). Three statistical approaches, including one machine learning method, identified important safety signals, but without exact agreement. Ensemble methods may be needed to detect all safety signals for further evaluation during medical device surveillance.

Classifying injury narratives of large administrative databases for surveillance-A practical approach combining machine learning ensembles and human review.

PubMed

Marucci-Wellman, Helen R; Corns, Helen L; Lehto, Mark R

2017-01-01

Injury narratives are now available real time and include useful information for injury surveillance and prevention. However, manual classification of the cause or events leading to injury found in large batches of narratives, such as workers compensation claims databases, can be prohibitive. In this study we compare the utility of four machine learning algorithms (Naïve Bayes, Single word and Bi-gram models, Support Vector Machine and Logistic Regression) for classifying narratives into Bureau of Labor Statistics Occupational Injury and Illness event leading to injury classifications for a large workers compensation database. These algorithms are known to do well classifying narrative text and are fairly easy to implement with off-the-shelf software packages such as Python. We propose human-machine learning ensemble approaches which maximize the power and accuracy of the algorithms for machine-assigned codes and allow for strategic filtering of rare, emerging or ambiguous narratives for manual review. We compare human-machine approaches based on filtering on the prediction strength of the classifier vs. agreement between algorithms. Regularized Logistic Regression (LR) was the best performing algorithm alone. Using this algorithm and filtering out the bottom 30% of predictions for manual review resulted in high accuracy (overall sensitivity/positive predictive value of 0.89) of the final machine-human coded dataset. The best pairings of algorithms included Naïve Bayes with Support Vector Machine whereby the triple ensemble NB SW =NB BI-GRAM =SVM had very high performance (0.93 overall sensitivity/positive predictive value and high accuracy (i.e. high sensitivity and positive predictive values)) across both large and small categories leaving 41% of the narratives for manual review. Integrating LR into this ensemble mix improved performance only slightly. For large administrative datasets we propose incorporation of methods based on human-machine pairings such as we have done here, utilizing readily-available off-the-shelf machine learning techniques and resulting in only a fraction of narratives that require manual review. Human-machine ensemble methods are likely to improve performance over total manual coding. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

An Event-Triggered Machine Learning Approach for Accelerometer-Based Fall Detection.

PubMed

Putra, I Putu Edy Suardiyana; Brusey, James; Gaura, Elena; Vesilo, Rein

2017-12-22

The fixed-size non-overlapping sliding window (FNSW) and fixed-size overlapping sliding window (FOSW) approaches are the most commonly used data-segmentation techniques in machine learning-based fall detection using accelerometer sensors. However, these techniques do not segment by fall stages (pre-impact, impact, and post-impact) and thus useful information is lost, which may reduce the detection rate of the classifier. Aligning the segment with the fall stage is difficult, as the segment size varies. We propose an event-triggered machine learning (EvenT-ML) approach that aligns each fall stage so that the characteristic features of the fall stages are more easily recognized. To evaluate our approach, two publicly accessible datasets were used. Classification and regression tree (CART), k -nearest neighbor ( k -NN), logistic regression (LR), and the support vector machine (SVM) were used to train the classifiers. EvenT-ML gives classifier F-scores of 98% for a chest-worn sensor and 92% for a waist-worn sensor, and significantly reduces the computational cost compared with the FNSW- and FOSW-based approaches, with reductions of up to 8-fold and 78-fold, respectively. EvenT-ML achieves a significantly better F-score than existing fall detection approaches. These results indicate that aligning feature segments with fall stages significantly increases the detection rate and reduces the computational cost.

Applications of machine learning in cancer prediction and prognosis.

PubMed

Cruz, Joseph A; Wishart, David S

2007-02-11

Machine learning is a branch of artificial intelligence that employs a variety of statistical, probabilistic and optimization techniques that allows computers to "learn" from past examples and to detect hard-to-discern patterns from large, noisy or complex data sets. This capability is particularly well-suited to medical applications, especially those that depend on complex proteomic and genomic measurements. As a result, machine learning is frequently used in cancer diagnosis and detection. More recently machine learning has been applied to cancer prognosis and prediction. This latter approach is particularly interesting as it is part of a growing trend towards personalized, predictive medicine. In assembling this review we conducted a broad survey of the different types of machine learning methods being used, the types of data being integrated and the performance of these methods in cancer prediction and prognosis. A number of trends are noted, including a growing dependence on protein biomarkers and microarray data, a strong bias towards applications in prostate and breast cancer, and a heavy reliance on "older" technologies such artificial neural networks (ANNs) instead of more recently developed or more easily interpretable machine learning methods. A number of published studies also appear to lack an appropriate level of validation or testing. Among the better designed and validated studies it is clear that machine learning methods can be used to substantially (15-25%) improve the accuracy of predicting cancer susceptibility, recurrence and mortality. At a more fundamental level, it is also evident that machine learning is also helping to improve our basic understanding of cancer development and progression.

Prediction of antiepileptic drug treatment outcomes using machine learning.

PubMed

Colic, Sinisa; Wither, Robert G; Lang, Min; Zhang, Liang; Eubanks, James H; Bardakjian, Berj L

2017-02-01

Antiepileptic drug (AED) treatments produce inconsistent outcomes, often necessitating patients to go through several drug trials until a successful treatment can be found. This study proposes the use of machine learning techniques to predict epilepsy treatment outcomes of commonly used AEDs. Machine learning algorithms were trained and evaluated using features obtained from intracranial electroencephalogram (iEEG) recordings of the epileptiform discharges observed in Mecp2-deficient mouse model of the Rett Syndrome. Previous work have linked the presence of cross-frequency coupling (I CFC ) of the delta (2-5 Hz) rhythm with the fast ripple (400-600 Hz) rhythm in epileptiform discharges. Using the I CFC to label post-treatment outcomes we compared support vector machines (SVMs) and random forest (RF) machine learning classifiers for providing likelihood scores of successful treatment outcomes. (a) There was heterogeneity in AED treatment outcomes, (b) machine learning techniques could be used to rank the efficacy of AEDs by estimating likelihood scores for successful treatment outcome, (c) I CFC features yielded the most effective a priori identification of appropriate AED treatment, and (d) both classifiers performed comparably. Machine learning approaches yielded predictions of successful drug treatment outcomes which in turn could reduce the burdens of drug trials and lead to substantial improvements in patient quality of life.

A Novel Extreme Learning Machine Classification Model for e-Nose Application Based on the Multiple Kernel Approach

PubMed Central

Jian, Yulin; Huang, Daoyu; Yan, Jia; Lu, Kun; Huang, Ying; Wen, Tailai; Zeng, Tanyue; Zhong, Shijie; Xie, Qilong

2017-01-01

A novel classification model, named the quantum-behaved particle swarm optimization (QPSO)-based weighted multiple kernel extreme learning machine (QWMK-ELM), is proposed in this paper. Experimental validation is carried out with two different electronic nose (e-nose) datasets. Being different from the existing multiple kernel extreme learning machine (MK-ELM) algorithms, the combination coefficients of base kernels are regarded as external parameters of single-hidden layer feedforward neural networks (SLFNs). The combination coefficients of base kernels, the model parameters of each base kernel, and the regularization parameter are optimized by QPSO simultaneously before implementing the kernel extreme learning machine (KELM) with the composite kernel function. Four types of common single kernel functions (Gaussian kernel, polynomial kernel, sigmoid kernel, and wavelet kernel) are utilized to constitute different composite kernel functions. Moreover, the method is also compared with other existing classification methods: extreme learning machine (ELM), kernel extreme learning machine (KELM), k-nearest neighbors (KNN), support vector machine (SVM), multi-layer perceptron (MLP), radical basis function neural network (RBFNN), and probabilistic neural network (PNN). The results have demonstrated that the proposed QWMK-ELM outperforms the aforementioned methods, not only in precision, but also in efficiency for gas classification. PMID:28629202

Mortality risk prediction in burn injury: Comparison of logistic regression with machine learning approaches.

PubMed

Stylianou, Neophytos; Akbarov, Artur; Kontopantelis, Evangelos; Buchan, Iain; Dunn, Ken W

2015-08-01

Predicting mortality from burn injury has traditionally employed logistic regression models. Alternative machine learning methods have been introduced in some areas of clinical prediction as the necessary software and computational facilities have become accessible. Here we compare logistic regression and machine learning predictions of mortality from burn. An established logistic mortality model was compared to machine learning methods (artificial neural network, support vector machine, random forests and naïve Bayes) using a population-based (England & Wales) case-cohort registry. Predictive evaluation used: area under the receiver operating characteristic curve; sensitivity; specificity; positive predictive value and Youden's index. All methods had comparable discriminatory abilities, similar sensitivities, specificities and positive predictive values. Although some machine learning methods performed marginally better than logistic regression the differences were seldom statistically significant and clinically insubstantial. Random forests were marginally better for high positive predictive value and reasonable sensitivity. Neural networks yielded slightly better prediction overall. Logistic regression gives an optimal mix of performance and interpretability. The established logistic regression model of burn mortality performs well against more complex alternatives. Clinical prediction with a small set of strong, stable, independent predictors is unlikely to gain much from machine learning outside specialist research contexts. Copyright © 2015 Elsevier Ltd and ISBI. All rights reserved.

Systematic Poisoning Attacks on and Defenses for Machine Learning in Healthcare.

PubMed

Mozaffari-Kermani, Mehran; Sur-Kolay, Susmita; Raghunathan, Anand; Jha, Niraj K

2015-11-01

Machine learning is being used in a wide range of application domains to discover patterns in large datasets. Increasingly, the results of machine learning drive critical decisions in applications related to healthcare and biomedicine. Such health-related applications are often sensitive, and thus, any security breach would be catastrophic. Naturally, the integrity of the results computed by machine learning is of great importance. Recent research has shown that some machine-learning algorithms can be compromised by augmenting their training datasets with malicious data, leading to a new class of attacks called poisoning attacks. Hindrance of a diagnosis may have life-threatening consequences and could cause distrust. On the other hand, not only may a false diagnosis prompt users to distrust the machine-learning algorithm and even abandon the entire system but also such a false positive classification may cause patient distress. In this paper, we present a systematic, algorithm-independent approach for mounting poisoning attacks across a wide range of machine-learning algorithms and healthcare datasets. The proposed attack procedure generates input data, which, when added to the training set, can either cause the results of machine learning to have targeted errors (e.g., increase the likelihood of classification into a specific class), or simply introduce arbitrary errors (incorrect classification). These attacks may be applied to both fixed and evolving datasets. They can be applied even when only statistics of the training dataset are available or, in some cases, even without access to the training dataset, although at a lower efficacy. We establish the effectiveness of the proposed attacks using a suite of six machine-learning algorithms and five healthcare datasets. Finally, we present countermeasures against the proposed generic attacks that are based on tracking and detecting deviations in various accuracy metrics, and benchmark their effectiveness.

Machine learning approaches to analysing textual injury surveillance data: a systematic review.

PubMed

Vallmuur, Kirsten

2015-06-01

To synthesise recent research on the use of machine learning approaches to mining textual injury surveillance data. Systematic review. The electronic databases which were searched included PubMed, Cinahl, Medline, Google Scholar, and Proquest. The bibliography of all relevant articles was examined and associated articles were identified using a snowballing technique. For inclusion, articles were required to meet the following criteria: (a) used a health-related database, (b) focused on injury-related cases, AND used machine learning approaches to analyse textual data. The papers identified through the search were screened resulting in 16 papers selected for review. Articles were reviewed to describe the databases and methodology used, the strength and limitations of different techniques, and quality assurance approaches used. Due to heterogeneity between studies meta-analysis was not performed. Occupational injuries were the focus of half of the machine learning studies and the most common methods described were Bayesian probability or Bayesian network based methods to either predict injury categories or extract common injury scenarios. Models were evaluated through either comparison with gold standard data or content expert evaluation or statistical measures of quality. Machine learning was found to provide high precision and accuracy when predicting a small number of categories, was valuable for visualisation of injury patterns and prediction of future outcomes. However, difficulties related to generalizability, source data quality, complexity of models and integration of content and technical knowledge were discussed. The use of narrative text for injury surveillance has grown in popularity, complexity and quality over recent years. With advances in data mining techniques, increased capacity for analysis of large databases, and involvement of computer scientists in the injury prevention field, along with more comprehensive use and description of quality assurance methods in text mining approaches, it is likely that we will see a continued growth and advancement in knowledge of text mining in the injury field. Copyright © 2015 Elsevier Ltd. All rights reserved.

Machine learning for many-body physics: The case of the Anderson impurity model

DOE PAGES

Arsenault, Louis-François; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; ...

2014-10-31

We applied machine learning methods in order to find the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Furthermore, different methods of parametrizing the Green's function are investigated; a representation in terms of Legendre polynomials is found to be superior due to its limited number of coefficients and its applicability to state of the art methods of solution. The dependence of the errors on the size of the training set is determined. Our results indicate that a machine learning approach to dynamical mean-field theory may be feasible.

Machine learning for many-body physics: The case of the Anderson impurity model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arsenault, Louis-François; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole

We applied machine learning methods in order to find the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Furthermore, different methods of parametrizing the Green's function are investigated; a representation in terms of Legendre polynomials is found to be superior due to its limited number of coefficients and its applicability to state of the art methods of solution. The dependence of the errors on the size of the training set is determined. Our results indicate that a machine learning approach to dynamical mean-field theory may be feasible.

Semisupervised learning using Bayesian interpretation: application to LS-SVM.

PubMed

Adankon, Mathias M; Cheriet, Mohamed; Biem, Alain

2011-04-01

Bayesian reasoning provides an ideal basis for representing and manipulating uncertain knowledge, with the result that many interesting algorithms in machine learning are based on Bayesian inference. In this paper, we use the Bayesian approach with one and two levels of inference to model the semisupervised learning problem and give its application to the successful kernel classifier support vector machine (SVM) and its variant least-squares SVM (LS-SVM). Taking advantage of Bayesian interpretation of LS-SVM, we develop a semisupervised learning algorithm for Bayesian LS-SVM using our approach based on two levels of inference. Experimental results on both artificial and real pattern recognition problems show the utility of our method.

Fault Diagnosis for Rotating Machinery Using Vibration Measurement Deep Statistical Feature Learning.

PubMed

Li, Chuan; Sánchez, René-Vinicio; Zurita, Grover; Cerrada, Mariela; Cabrera, Diego

2016-06-17

Fault diagnosis is important for the maintenance of rotating machinery. The detection of faults and fault patterns is a challenging part of machinery fault diagnosis. To tackle this problem, a model for deep statistical feature learning from vibration measurements of rotating machinery is presented in this paper. Vibration sensor signals collected from rotating mechanical systems are represented in the time, frequency, and time-frequency domains, each of which is then used to produce a statistical feature set. For learning statistical features, real-value Gaussian-Bernoulli restricted Boltzmann machines (GRBMs) are stacked to develop a Gaussian-Bernoulli deep Boltzmann machine (GDBM). The suggested approach is applied as a deep statistical feature learning tool for both gearbox and bearing systems. The fault classification performances in experiments using this approach are 95.17% for the gearbox, and 91.75% for the bearing system. The proposed approach is compared to such standard methods as a support vector machine, GRBM and a combination model. In experiments, the best fault classification rate was detected using the proposed model. The results show that deep learning with statistical feature extraction has an essential improvement potential for diagnosing rotating machinery faults.

Fault Diagnosis for Rotating Machinery Using Vibration Measurement Deep Statistical Feature Learning

PubMed Central

Li, Chuan; Sánchez, René-Vinicio; Zurita, Grover; Cerrada, Mariela; Cabrera, Diego

2016-01-01

Fault diagnosis is important for the maintenance of rotating machinery. The detection of faults and fault patterns is a challenging part of machinery fault diagnosis. To tackle this problem, a model for deep statistical feature learning from vibration measurements of rotating machinery is presented in this paper. Vibration sensor signals collected from rotating mechanical systems are represented in the time, frequency, and time-frequency domains, each of which is then used to produce a statistical feature set. For learning statistical features, real-value Gaussian-Bernoulli restricted Boltzmann machines (GRBMs) are stacked to develop a Gaussian-Bernoulli deep Boltzmann machine (GDBM). The suggested approach is applied as a deep statistical feature learning tool for both gearbox and bearing systems. The fault classification performances in experiments using this approach are 95.17% for the gearbox, and 91.75% for the bearing system. The proposed approach is compared to such standard methods as a support vector machine, GRBM and a combination model. In experiments, the best fault classification rate was detected using the proposed model. The results show that deep learning with statistical feature extraction has an essential improvement potential for diagnosing rotating machinery faults. PMID:27322273

Classification of Breast Cancer Resistant Protein (BCRP) Inhibitors and Non-Inhibitors Using Machine Learning Approaches.

PubMed

Belekar, Vilas; Lingineni, Karthik; Garg, Prabha

2015-01-01

The breast cancer resistant protein (BCRP) is an important transporter and its inhibitors play an important role in cancer treatment by improving the oral bioavailability as well as blood brain barrier (BBB) permeability of anticancer drugs. In this work, a computational model was developed to predict the compounds as BCRP inhibitors or non-inhibitors. Various machine learning approaches like, support vector machine (SVM), k-nearest neighbor (k-NN) and artificial neural network (ANN) were used to develop the models. The Matthews correlation coefficients (MCC) of developed models using ANN, k-NN and SVM are 0.67, 0.71 and 0.77, and prediction accuracies are 85.2%, 88.3% and 90.8% respectively. The developed models were tested with a test set of 99 compounds and further validated with external set of 98 compounds. Distribution plot analysis and various machine learning models were also developed based on druglikeness descriptors. Applicability domain is used to check the prediction reliability of the new molecules.

Enter the machine

NASA Astrophysics Data System (ADS)

Palittapongarnpim, Pantita; Sanders, Barry C.

2018-05-01

Quantum tomography infers quantum states from measurement data, but it becomes infeasible for large systems. Machine learning enables tomography of highly entangled many-body states and suggests a new powerful approach to this problem.

Advanced, Analytic, Automated (AAA) Measurement of Engagement During Learning

PubMed Central

D’Mello, Sidney; Dieterle, Ed; Duckworth, Angela

2017-01-01

It is generally acknowledged that engagement plays a critical role in learning. Unfortunately, the study of engagement has been stymied by a lack of valid and efficient measures. We introduce the advanced, analytic, and automated (AAA) approach to measure engagement at fine-grained temporal resolutions. The AAA measurement approach is grounded in embodied theories of cognition and affect, which advocate a close coupling between thought and action. It uses machine-learned computational models to automatically infer mental states associated with engagement (e.g., interest, flow) from machine-readable behavioral and physiological signals (e.g., facial expressions, eye tracking, click-stream data) and from aspects of the environmental context. We present15 case studies that illustrate the potential of the AAA approach for measuring engagement in digital learning environments. We discuss strengths and weaknesses of the AAA approach, concluding that it has significant promise to catalyze engagement research. PMID:29038607

Advanced, Analytic, Automated (AAA) Measurement of Engagement During Learning.

PubMed

D'Mello, Sidney; Dieterle, Ed; Duckworth, Angela

2017-01-01

It is generally acknowledged that engagement plays a critical role in learning. Unfortunately, the study of engagement has been stymied by a lack of valid and efficient measures. We introduce the advanced, analytic, and automated (AAA) approach to measure engagement at fine-grained temporal resolutions. The AAA measurement approach is grounded in embodied theories of cognition and affect, which advocate a close coupling between thought and action. It uses machine-learned computational models to automatically infer mental states associated with engagement (e.g., interest, flow) from machine-readable behavioral and physiological signals (e.g., facial expressions, eye tracking, click-stream data) and from aspects of the environmental context. We present15 case studies that illustrate the potential of the AAA approach for measuring engagement in digital learning environments. We discuss strengths and weaknesses of the AAA approach, concluding that it has significant promise to catalyze engagement research.

Adiabatic Quantum Anomaly Detection and Machine Learning

NASA Astrophysics Data System (ADS)

Pudenz, Kristen; Lidar, Daniel

2012-02-01

We present methods of anomaly detection and machine learning using adiabatic quantum computing. The machine learning algorithm is a boosting approach which seeks to optimally combine somewhat accurate classification functions to create a unified classifier which is much more accurate than its components. This algorithm then becomes the first part of the larger anomaly detection algorithm. In the anomaly detection routine, we first use adiabatic quantum computing to train two classifiers which detect two sets, the overlap of which forms the anomaly class. We call this the learning phase. Then, in the testing phase, the two learned classification functions are combined to form the final Hamiltonian for an adiabatic quantum computation, the low energy states of which represent the anomalies in a binary vector space.

A MOOC on Approaches to Machine Translation

ERIC Educational Resources Information Center

Costa-jussà, Mart R.; Formiga, Lluís; Torrillas, Oriol; Petit, Jordi; Fonollosa, José A. R.

2015-01-01

This paper describes the design, development, and analysis of a MOOC entitled "Approaches to Machine Translation: Rule-based, statistical and hybrid", and provides lessons learned and conclusions to be taken into account in the future. The course was developed within the Canvas platform, used by recognized European universities. It…

A Machine-Learning-Driven Sky Model.

PubMed

Satylmys, Pynar; Bashford-Rogers, Thomas; Chalmers, Alan; Debattista, Kurt

2017-01-01

Sky illumination is responsible for much of the lighting in a virtual environment. A machine-learning-based approach can compactly represent sky illumination from both existing analytic sky models and from captured environment maps. The proposed approach can approximate the captured lighting at a significantly reduced memory cost and enable smooth transitions of sky lighting to be created from a small set of environment maps captured at discrete times of day. The author's results demonstrate accuracy close to the ground truth for both analytical and capture-based methods. The approach has a low runtime overhead, so it can be used as a generic approach for both offline and real-time applications.

A hybrid genetic algorithm-extreme learning machine approach for accurate significant wave height reconstruction

NASA Astrophysics Data System (ADS)

Alexandre, E.; Cuadra, L.; Nieto-Borge, J. C.; Candil-García, G.; del Pino, M.; Salcedo-Sanz, S.

2015-08-01

Wave parameters computed from time series measured by buoys (significant wave height Hs, mean wave period, etc.) play a key role in coastal engineering and in the design and operation of wave energy converters. Storms or navigation accidents can make measuring buoys break down, leading to missing data gaps. In this paper we tackle the problem of locally reconstructing Hs at out-of-operation buoys by using wave parameters from nearby buoys, based on the spatial correlation among values at neighboring buoy locations. The novelty of our approach for its potential application to problems in coastal engineering is twofold. On one hand, we propose a genetic algorithm hybridized with an extreme learning machine that selects, among the available wave parameters from the nearby buoys, a subset FnSP with nSP parameters that minimizes the Hs reconstruction error. On the other hand, we evaluate to what extent the selected parameters in subset FnSP are good enough in assisting other machine learning (ML) regressors (extreme learning machines, support vector machines and gaussian process regression) to reconstruct Hs. The results show that all the ML method explored achieve a good Hs reconstruction in the two different locations studied (Caribbean Sea and West Atlantic).

Applications of Machine Learning in Cancer Prediction and Prognosis

PubMed Central

Cruz, Joseph A.; Wishart, David S.

2006-01-01

Machine learning is a branch of artificial intelligence that employs a variety of statistical, probabilistic and optimization techniques that allows computers to “learn” from past examples and to detect hard-to-discern patterns from large, noisy or complex data sets. This capability is particularly well-suited to medical applications, especially those that depend on complex proteomic and genomic measurements. As a result, machine learning is frequently used in cancer diagnosis and detection. More recently machine learning has been applied to cancer prognosis and prediction. This latter approach is particularly interesting as it is part of a growing trend towards personalized, predictive medicine. In assembling this review we conducted a broad survey of the different types of machine learning methods being used, the types of data being integrated and the performance of these methods in cancer prediction and prognosis. A number of trends are noted, including a growing dependence on protein biomarkers and microarray data, a strong bias towards applications in prostate and breast cancer, and a heavy reliance on “older” technologies such artificial neural networks (ANNs) instead of more recently developed or more easily interpretable machine learning methods. A number of published studies also appear to lack an appropriate level of validation or testing. Among the better designed and validated studies it is clear that machine learning methods can be used to substantially (15–25%) improve the accuracy of predicting cancer susceptibility, recurrence and mortality. At a more fundamental level, it is also evident that machine learning is also helping to improve our basic understanding of cancer development and progression. PMID:19458758

Two-stage approach to keyword spotting in handwritten documents

NASA Astrophysics Data System (ADS)

Haji, Mehdi; Ameri, Mohammad R.; Bui, Tien D.; Suen, Ching Y.; Ponson, Dominique

2013-12-01

Separation of keywords from non-keywords is the main problem in keyword spotting systems which has traditionally been approached by simplistic methods, such as thresholding of recognition scores. In this paper, we analyze this problem from a machine learning perspective, and we study several standard machine learning algorithms specifically in the context of non-keyword rejection. We propose a two-stage approach to keyword spotting and provide a theoretical analysis of the performance of the system which gives insights on how to design the classifier in order to maximize the overall performance in terms of F-measure.

MapReduce SVM Game

DOE PAGES

Vineyard, Craig M.; Verzi, Stephen J.; James, Conrad D.; ...

2015-08-10

Despite technological advances making computing devices faster, smaller, and more prevalent in today's age, data generation and collection has outpaced data processing capabilities. Simply having more compute platforms does not provide a means of addressing challenging problems in the big data era. Rather, alternative processing approaches are needed and the application of machine learning to big data is hugely important. The MapReduce programming paradigm is an alternative to conventional supercomputing approaches, and requires less stringent data passing constrained problem decompositions. Rather, MapReduce relies upon defining a means of partitioning the desired problem so that subsets may be computed independently andmore » recom- bined to yield the net desired result. However, not all machine learning algorithms are amenable to such an approach. Game-theoretic algorithms are often innately distributed, consisting of local interactions between players without requiring a central authority and are iterative by nature rather than requiring extensive retraining. Effectively, a game-theoretic approach to machine learning is well suited for the MapReduce paradigm and provides a novel, alternative new perspective to addressing the big data problem. In this paper we present a variant of our Support Vector Machine (SVM) Game classifier which may be used in a distributed manner, and show an illustrative example of applying this algorithm.« less

MapReduce SVM Game

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vineyard, Craig M.; Verzi, Stephen J.; James, Conrad D.

Despite technological advances making computing devices faster, smaller, and more prevalent in today's age, data generation and collection has outpaced data processing capabilities. Simply having more compute platforms does not provide a means of addressing challenging problems in the big data era. Rather, alternative processing approaches are needed and the application of machine learning to big data is hugely important. The MapReduce programming paradigm is an alternative to conventional supercomputing approaches, and requires less stringent data passing constrained problem decompositions. Rather, MapReduce relies upon defining a means of partitioning the desired problem so that subsets may be computed independently andmore » recom- bined to yield the net desired result. However, not all machine learning algorithms are amenable to such an approach. Game-theoretic algorithms are often innately distributed, consisting of local interactions between players without requiring a central authority and are iterative by nature rather than requiring extensive retraining. Effectively, a game-theoretic approach to machine learning is well suited for the MapReduce paradigm and provides a novel, alternative new perspective to addressing the big data problem. In this paper we present a variant of our Support Vector Machine (SVM) Game classifier which may be used in a distributed manner, and show an illustrative example of applying this algorithm.« less

Model-based machine learning.

PubMed

Bishop, Christopher M

2013-02-13

Several decades of research in the field of machine learning have resulted in a multitude of different algorithms for solving a broad range of problems. To tackle a new application, a researcher typically tries to map their problem onto one of these existing methods, often influenced by their familiarity with specific algorithms and by the availability of corresponding software implementations. In this study, we describe an alternative methodology for applying machine learning, in which a bespoke solution is formulated for each new application. The solution is expressed through a compact modelling language, and the corresponding custom machine learning code is then generated automatically. This model-based approach offers several major advantages, including the opportunity to create highly tailored models for specific scenarios, as well as rapid prototyping and comparison of a range of alternative models. Furthermore, newcomers to the field of machine learning do not have to learn about the huge range of traditional methods, but instead can focus their attention on understanding a single modelling environment. In this study, we show how probabilistic graphical models, coupled with efficient inference algorithms, provide a very flexible foundation for model-based machine learning, and we outline a large-scale commercial application of this framework involving tens of millions of users. We also describe the concept of probabilistic programming as a powerful software environment for model-based machine learning, and we discuss a specific probabilistic programming language called Infer.NET, which has been widely used in practical applications.

Model-based machine learning

PubMed Central

Bishop, Christopher M.

2013-01-01

Several decades of research in the field of machine learning have resulted in a multitude of different algorithms for solving a broad range of problems. To tackle a new application, a researcher typically tries to map their problem onto one of these existing methods, often influenced by their familiarity with specific algorithms and by the availability of corresponding software implementations. In this study, we describe an alternative methodology for applying machine learning, in which a bespoke solution is formulated for each new application. The solution is expressed through a compact modelling language, and the corresponding custom machine learning code is then generated automatically. This model-based approach offers several major advantages, including the opportunity to create highly tailored models for specific scenarios, as well as rapid prototyping and comparison of a range of alternative models. Furthermore, newcomers to the field of machine learning do not have to learn about the huge range of traditional methods, but instead can focus their attention on understanding a single modelling environment. In this study, we show how probabilistic graphical models, coupled with efficient inference algorithms, provide a very flexible foundation for model-based machine learning, and we outline a large-scale commercial application of this framework involving tens of millions of users. We also describe the concept of probabilistic programming as a powerful software environment for model-based machine learning, and we discuss a specific probabilistic programming language called Infer.NET, which has been widely used in practical applications. PMID:23277612

The Necessity of Machine Learning and Epistemology in the Development of Categorization Theories: A Case Study in Prototype-Exemplar Debate

NASA Astrophysics Data System (ADS)

Gagliardi, Francesco

In the present paper we discuss some aspects of the development of categorization theories concerning cognitive psychology and machine learning. We consider the thirty-year debate between prototype-theory and exemplar-theory in the studies of cognitive psychology regarding the categorization processes. We propose this debate is ill-posed, because it neglects some theoretical and empirical results of machine learning about the bias-variance theorem and the existence of some instance-based classifiers which can embed models subsuming both prototype and exemplar theories. Moreover this debate lies on a epistemological error of pursuing a, so called, experimentum crucis. Then we present how an interdisciplinary approach, based on synthetic method for cognitive modelling, can be useful to progress both the fields of cognitive psychology and machine learning.

Modalities, Relations, and Learning

NASA Astrophysics Data System (ADS)

Müller, Martin Eric

While the popularity of statistical, probabilistic and exhaustive machine learning techniques still increases, relational and logic approaches are still a niche market in research. While the former approaches focus on predictive accuracy, the latter ones prove to be indispensable in knowledge discovery.

Combining Machine Learning Systems and Multiple Docking Simulation Packages to Improve Docking Prediction Reliability for Network Pharmacology

PubMed Central

Hsin, Kun-Yi; Ghosh, Samik; Kitano, Hiroaki

2013-01-01

Increased availability of bioinformatics resources is creating opportunities for the application of network pharmacology to predict drug effects and toxicity resulting from multi-target interactions. Here we present a high-precision computational prediction approach that combines two elaborately built machine learning systems and multiple molecular docking tools to assess binding potentials of a test compound against proteins involved in a complex molecular network. One of the two machine learning systems is a re-scoring function to evaluate binding modes generated by docking tools. The second is a binding mode selection function to identify the most predictive binding mode. Results from a series of benchmark validations and a case study show that this approach surpasses the prediction reliability of other techniques and that it also identifies either primary or off-targets of kinase inhibitors. Integrating this approach with molecular network maps makes it possible to address drug safety issues by comprehensively investigating network-dependent effects of a drug or drug candidate. PMID:24391846

Effective Information Extraction Framework for Heterogeneous Clinical Reports Using Online Machine Learning and Controlled Vocabularies.

PubMed

Zheng, Shuai; Lu, James J; Ghasemzadeh, Nima; Hayek, Salim S; Quyyumi, Arshed A; Wang, Fusheng

2017-05-09

Extracting structured data from narrated medical reports is challenged by the complexity of heterogeneous structures and vocabularies and often requires significant manual effort. Traditional machine-based approaches lack the capability to take user feedbacks for improving the extraction algorithm in real time. Our goal was to provide a generic information extraction framework that can support diverse clinical reports and enables a dynamic interaction between a human and a machine that produces highly accurate results. A clinical information extraction system IDEAL-X has been built on top of online machine learning. It processes one document at a time, and user interactions are recorded as feedbacks to update the learning model in real time. The updated model is used to predict values for extraction in subsequent documents. Once prediction accuracy reaches a user-acceptable threshold, the remaining documents may be batch processed. A customizable controlled vocabulary may be used to support extraction. Three datasets were used for experiments based on report styles: 100 cardiac catheterization procedure reports, 100 coronary angiographic reports, and 100 integrated reports-each combines history and physical report, discharge summary, outpatient clinic notes, outpatient clinic letter, and inpatient discharge medication report. Data extraction was performed by 3 methods: online machine learning, controlled vocabularies, and a combination of these. The system delivers results with F1 scores greater than 95%. IDEAL-X adopts a unique online machine learning-based approach combined with controlled vocabularies to support data extraction for clinical reports. The system can quickly learn and improve, thus it is highly adaptable. ©Shuai Zheng, James J Lu, Nima Ghasemzadeh, Salim S Hayek, Arshed A Quyyumi, Fusheng Wang. Originally published in JMIR Medical Informatics (http://medinform.jmir.org), 09.05.2017.

Seizure Classification From EEG Signals Using Transfer Learning, Semi-Supervised Learning and TSK Fuzzy System.

PubMed

Jiang, Yizhang; Wu, Dongrui; Deng, Zhaohong; Qian, Pengjiang; Wang, Jun; Wang, Guanjin; Chung, Fu-Lai; Choi, Kup-Sze; Wang, Shitong

2017-12-01

Recognition of epileptic seizures from offline EEG signals is very important in clinical diagnosis of epilepsy. Compared with manual labeling of EEG signals by doctors, machine learning approaches can be faster and more consistent. However, the classification accuracy is usually not satisfactory for two main reasons: the distributions of the data used for training and testing may be different, and the amount of training data may not be enough. In addition, most machine learning approaches generate black-box models that are difficult to interpret. In this paper, we integrate transductive transfer learning, semi-supervised learning and TSK fuzzy system to tackle these three problems. More specifically, we use transfer learning to reduce the discrepancy in data distribution between the training and testing data, employ semi-supervised learning to use the unlabeled testing data to remedy the shortage of training data, and adopt TSK fuzzy system to increase model interpretability. Two learning algorithms are proposed to train the system. Our experimental results show that the proposed approaches can achieve better performance than many state-of-the-art seizure classification algorithms.

Effective Information Extraction Framework for Heterogeneous Clinical Reports Using Online Machine Learning and Controlled Vocabularies

PubMed Central

Zheng, Shuai; Ghasemzadeh, Nima; Hayek, Salim S; Quyyumi, Arshed A

2017-01-01

Background Extracting structured data from narrated medical reports is challenged by the complexity of heterogeneous structures and vocabularies and often requires significant manual effort. Traditional machine-based approaches lack the capability to take user feedbacks for improving the extraction algorithm in real time. Objective Our goal was to provide a generic information extraction framework that can support diverse clinical reports and enables a dynamic interaction between a human and a machine that produces highly accurate results. Methods A clinical information extraction system IDEAL-X has been built on top of online machine learning. It processes one document at a time, and user interactions are recorded as feedbacks to update the learning model in real time. The updated model is used to predict values for extraction in subsequent documents. Once prediction accuracy reaches a user-acceptable threshold, the remaining documents may be batch processed. A customizable controlled vocabulary may be used to support extraction. Results Three datasets were used for experiments based on report styles: 100 cardiac catheterization procedure reports, 100 coronary angiographic reports, and 100 integrated reports—each combines history and physical report, discharge summary, outpatient clinic notes, outpatient clinic letter, and inpatient discharge medication report. Data extraction was performed by 3 methods: online machine learning, controlled vocabularies, and a combination of these. The system delivers results with F1 scores greater than 95%. Conclusions IDEAL-X adopts a unique online machine learning–based approach combined with controlled vocabularies to support data extraction for clinical reports. The system can quickly learn and improve, thus it is highly adaptable. PMID:28487265

Predicting a small molecule-kinase interaction map: A machine learning approach

PubMed Central

2011-01-01

Background We present a machine learning approach to the problem of protein ligand interaction prediction. We focus on a set of binding data obtained from 113 different protein kinases and 20 inhibitors. It was attained through ATP site-dependent binding competition assays and constitutes the first available dataset of this kind. We extract information about the investigated molecules from various data sources to obtain an informative set of features. Results A Support Vector Machine (SVM) as well as a decision tree algorithm (C5/See5) is used to learn models based on the available features which in turn can be used for the classification of new kinase-inhibitor pair test instances. We evaluate our approach using different feature sets and parameter settings for the employed classifiers. Moreover, the paper introduces a new way of evaluating predictions in such a setting, where different amounts of information about the binding partners can be assumed to be available for training. Results on an external test set are also provided. Conclusions In most of the cases, the presented approach clearly outperforms the baseline methods used for comparison. Experimental results indicate that the applied machine learning methods are able to detect a signal in the data and predict binding affinity to some extent. For SVMs, the binding prediction can be improved significantly by using features that describe the active site of a kinase. For C5, besides diversity in the feature set, alignment scores of conserved regions turned out to be very useful. PMID:21708012

Space Weather in the Machine Learning Era: A Multidisciplinary Approach

NASA Astrophysics Data System (ADS)

Camporeale, E.; Wing, S.; Johnson, J.; Jackman, C. M.; McGranaghan, R.

2018-01-01

The workshop entitled Space Weather: A Multidisciplinary Approach took place at the Lorentz Center, University of Leiden, Netherlands, on 25-29 September 2017. The aim of this workshop was to bring together members of the Space Weather, Mathematics, Statistics, and Computer Science communities to address the use of advanced techniques such as Machine Learning, Information Theory, and Deep Learning, to better understand the Sun-Earth system and to improve space weather forecasting. Although individual efforts have been made toward this goal, the community consensus is that establishing interdisciplinary collaborations is the most promising strategy for fully utilizing the potential of these advanced techniques in solving Space Weather-related problems.

An automated ranking platform for machine learning regression models for meat spoilage prediction using multi-spectral imaging and metabolic profiling.

PubMed

Estelles-Lopez, Lucia; Ropodi, Athina; Pavlidis, Dimitris; Fotopoulou, Jenny; Gkousari, Christina; Peyrodie, Audrey; Panagou, Efstathios; Nychas, George-John; Mohareb, Fady

2017-09-01

Over the past decade, analytical approaches based on vibrational spectroscopy, hyperspectral/multispectral imagining and biomimetic sensors started gaining popularity as rapid and efficient methods for assessing food quality, safety and authentication; as a sensible alternative to the expensive and time-consuming conventional microbiological techniques. Due to the multi-dimensional nature of the data generated from such analyses, the output needs to be coupled with a suitable statistical approach or machine-learning algorithms before the results can be interpreted. Choosing the optimum pattern recognition or machine learning approach for a given analytical platform is often challenging and involves a comparative analysis between various algorithms in order to achieve the best possible prediction accuracy. In this work, "MeatReg", a web-based application is presented, able to automate the procedure of identifying the best machine learning method for comparing data from several analytical techniques, to predict the counts of microorganisms responsible of meat spoilage regardless of the packaging system applied. In particularly up to 7 regression methods were applied and these are ordinary least squares regression, stepwise linear regression, partial least square regression, principal component regression, support vector regression, random forest and k-nearest neighbours. MeatReg" was tested with minced beef samples stored under aerobic and modified atmosphere packaging and analysed with electronic nose, HPLC, FT-IR, GC-MS and Multispectral imaging instrument. Population of total viable count, lactic acid bacteria, pseudomonads, Enterobacteriaceae and B. thermosphacta, were predicted. As a result, recommendations of which analytical platforms are suitable to predict each type of bacteria and which machine learning methods to use in each case were obtained. The developed system is accessible via the link: www.sorfml.com. Copyright © 2017 Elsevier Ltd. All rights reserved.

Daily sea level prediction at Chiayi coast, Taiwan using extreme learning machine and relevance vector machine

NASA Astrophysics Data System (ADS)

Imani, Moslem; Kao, Huan-Chin; Lan, Wen-Hau; Kuo, Chung-Yen

2018-02-01

The analysis and the prediction of sea level fluctuations are core requirements of marine meteorology and operational oceanography. Estimates of sea level with hours-to-days warning times are especially important for low-lying regions and coastal zone management. The primary purpose of this study is to examine the applicability and capability of extreme learning machine (ELM) and relevance vector machine (RVM) models for predicting sea level variations and compare their performances with powerful machine learning methods, namely, support vector machine (SVM) and radial basis function (RBF) models. The input dataset from the period of January 2004 to May 2011 used in the study was obtained from the Dongshi tide gauge station in Chiayi, Taiwan. Results showed that the ELM and RVM models outperformed the other methods. The performance of the RVM approach was superior in predicting the daily sea level time series given the minimum root mean square error of 34.73 mm and the maximum determination coefficient of 0.93 (R2) during the testing periods. Furthermore, the obtained results were in close agreement with the original tide-gauge data, which indicates that RVM approach is a promising alternative method for time series prediction and could be successfully used for daily sea level forecasts.

Airline Passenger Profiling Based on Fuzzy Deep Machine Learning.

PubMed

Zheng, Yu-Jun; Sheng, Wei-Guo; Sun, Xing-Ming; Chen, Sheng-Yong

2017-12-01

Passenger profiling plays a vital part of commercial aviation security, but classical methods become very inefficient in handling the rapidly increasing amounts of electronic records. This paper proposes a deep learning approach to passenger profiling. The center of our approach is a Pythagorean fuzzy deep Boltzmann machine (PFDBM), whose parameters are expressed by Pythagorean fuzzy numbers such that each neuron can learn how a feature affects the production of the correct output from both the positive and negative sides. We propose a hybrid algorithm combining a gradient-based method and an evolutionary algorithm for training the PFDBM. Based on the novel learning model, we develop a deep neural network (DNN) for classifying normal passengers and potential attackers, and further develop an integrated DNN for identifying group attackers whose individual features are insufficient to reveal the abnormality. Experiments on data sets from Air China show that our approach provides much higher learning ability and classification accuracy than existing profilers. It is expected that the fuzzy deep learning approach can be adapted for a variety of complex pattern analysis tasks.

One-Class Classification-Based Real-Time Activity Error Detection in Smart Homes.

PubMed

Das, Barnan; Cook, Diane J; Krishnan, Narayanan C; Schmitter-Edgecombe, Maureen

2016-08-01

Caring for individuals with dementia is frequently associated with extreme physical and emotional stress, which often leads to depression. Smart home technology and advances in machine learning techniques can provide innovative solutions to reduce caregiver burden. One key service that caregivers provide is prompting individuals with memory limitations to initiate and complete daily activities. We hypothesize that sensor technologies combined with machine learning techniques can automate the process of providing reminder-based interventions. The first step towards automated interventions is to detect when an individual faces difficulty with activities. We propose machine learning approaches based on one-class classification that learn normal activity patterns. When we apply these classifiers to activity patterns that were not seen before, the classifiers are able to detect activity errors, which represent potential prompt situations. We validate our approaches on smart home sensor data obtained from older adult participants, some of whom faced difficulties performing routine activities and thus committed errors.

How can machine-learning methods assist in virtual screening for hyperuricemia? A healthcare machine-learning approach.

PubMed

Ichikawa, Daisuke; Saito, Toki; Ujita, Waka; Oyama, Hiroshi

2016-12-01

Our purpose was to develop a new machine-learning approach (a virtual health check-up) toward identification of those at high risk of hyperuricemia. Applying the system to general health check-ups is expected to reduce medical costs compared with administering an additional test. Data were collected during annual health check-ups performed in Japan between 2011 and 2013 (inclusive). We prepared training and test datasets from the health check-up data to build prediction models; these were composed of 43,524 and 17,789 persons, respectively. Gradient-boosting decision tree (GBDT), random forest (RF), and logistic regression (LR) approaches were trained using the training dataset and were then used to predict hyperuricemia in the test dataset. Undersampling was applied to build the prediction models to deal with the imbalanced class dataset. The results showed that the RF and GBDT approaches afforded the best performances in terms of sensitivity and specificity, respectively. The area under the curve (AUC) values of the models, which reflected the total discriminative ability of the classification, were 0.796 [95% confidence interval (CI): 0.766-0.825] for the GBDT, 0.784 [95% CI: 0.752-0.815] for the RF, and 0.785 [95% CI: 0.752-0.819] for the LR approaches. No significant differences were observed between pairs of each approach. Small changes occurred in the AUCs after applying undersampling to build the models. We developed a virtual health check-up that predicted the development of hyperuricemia using machine-learning methods. The GBDT, RF, and LR methods had similar predictive capability. Undersampling did not remarkably improve predictive power. Copyright © 2016 Elsevier Inc. All rights reserved.

Development and validation of a machine learning algorithm and hybrid system to predict the need for life-saving interventions in trauma patients.

PubMed

Liu, Nehemiah T; Holcomb, John B; Wade, Charles E; Batchinsky, Andriy I; Cancio, Leopoldo C; Darrah, Mark I; Salinas, José

2014-02-01

Accurate and effective diagnosis of actual injury severity can be problematic in trauma patients. Inherent physiologic compensatory mechanisms may prevent accurate diagnosis and mask true severity in many circumstances. The objective of this project was the development and validation of a multiparameter machine learning algorithm and system capable of predicting the need for life-saving interventions (LSIs) in trauma patients. Statistics based on means, slopes, and maxima of various vital sign measurements corresponding to 79 trauma patient records generated over 110,000 feature sets, which were used to develop, train, and implement the system. Comparisons among several machine learning models proved that a multilayer perceptron would best implement the algorithm in a hybrid system consisting of a machine learning component and basic detection rules. Additionally, 295,994 feature sets from 82 h of trauma patient data showed that the system can obtain 89.8 % accuracy within 5 min of recorded LSIs. Use of machine learning technologies combined with basic detection rules provides a potential approach for accurately assessing the need for LSIs in trauma patients. The performance of this system demonstrates that machine learning technology can be implemented in a real-time fashion and potentially used in a critical care environment.

Application of Machine Learning to Proteomics Data: Classification and Biomarker Identification in Postgenomics Biology

PubMed Central

Swan, Anna Louise; Mobasheri, Ali; Allaway, David; Liddell, Susan

2013-01-01

Abstract Mass spectrometry is an analytical technique for the characterization of biological samples and is increasingly used in omics studies because of its targeted, nontargeted, and high throughput abilities. However, due to the large datasets generated, it requires informatics approaches such as machine learning techniques to analyze and interpret relevant data. Machine learning can be applied to MS-derived proteomics data in two ways. First, directly to mass spectral peaks and second, to proteins identified by sequence database searching, although relative protein quantification is required for the latter. Machine learning has been applied to mass spectrometry data from different biological disciplines, particularly for various cancers. The aims of such investigations have been to identify biomarkers and to aid in diagnosis, prognosis, and treatment of specific diseases. This review describes how machine learning has been applied to proteomics tandem mass spectrometry data. This includes how it can be used to identify proteins suitable for use as biomarkers of disease and for classification of samples into disease or treatment groups, which may be applicable for diagnostics. It also includes the challenges faced by such investigations, such as prediction of proteins present, protein quantification, planning for the use of machine learning, and small sample sizes. PMID:24116388

Simulation-driven machine learning: Bearing fault classification

NASA Astrophysics Data System (ADS)

Sobie, Cameron; Freitas, Carina; Nicolai, Mike

2018-01-01

Increasing the accuracy of mechanical fault detection has the potential to improve system safety and economic performance by minimizing scheduled maintenance and the probability of unexpected system failure. Advances in computational performance have enabled the application of machine learning algorithms across numerous applications including condition monitoring and failure detection. Past applications of machine learning to physical failure have relied explicitly on historical data, which limits the feasibility of this approach to in-service components with extended service histories. Furthermore, recorded failure data is often only valid for the specific circumstances and components for which it was collected. This work directly addresses these challenges for roller bearings with race faults by generating training data using information gained from high resolution simulations of roller bearing dynamics, which is used to train machine learning algorithms that are then validated against four experimental datasets. Several different machine learning methodologies are compared starting from well-established statistical feature-based methods to convolutional neural networks, and a novel application of dynamic time warping (DTW) to bearing fault classification is proposed as a robust, parameter free method for race fault detection.

Testing and Validating Machine Learning Classifiers by Metamorphic Testing☆

PubMed Central

Xie, Xiaoyuan; Ho, Joshua W. K.; Murphy, Christian; Kaiser, Gail; Xu, Baowen; Chen, Tsong Yueh

2011-01-01

Machine Learning algorithms have provided core functionality to many application domains - such as bioinformatics, computational linguistics, etc. However, it is difficult to detect faults in such applications because often there is no “test oracle” to verify the correctness of the computed outputs. To help address the software quality, in this paper we present a technique for testing the implementations of machine learning classification algorithms which support such applications. Our approach is based on the technique “metamorphic testing”, which has been shown to be effective to alleviate the oracle problem. Also presented include a case study on a real-world machine learning application framework, and a discussion of how programmers implementing machine learning algorithms can avoid the common pitfalls discovered in our study. We also conduct mutation analysis and cross-validation, which reveal that our method has high effectiveness in killing mutants, and that observing expected cross-validation result alone is not sufficiently effective to detect faults in a supervised classification program. The effectiveness of metamorphic testing is further confirmed by the detection of real faults in a popular open-source classification program. PMID:21532969

A Design for Life: A Consideration of the Learning Legacy of P.H. Pearse's "The Murder Machine"

ERIC Educational Resources Information Center

Cronin, James G. R.

2016-01-01

In the centenary of the death of Patrick Henry Pearse--one of the leaders of Ireland's 1916 Rebellion--it is interesting to reflect on the relevance of his writing for contemporary approaches to lifelong and lifewide learning. Pearse's essay "The Murder Machine" was forged within the tradition of progressive education movements in the…

A novel strategy for classifying the output from an in silico vaccine discovery pipeline for eukaryotic pathogens using machine learning algorithms.

PubMed

Goodswen, Stephen J; Kennedy, Paul J; Ellis, John T

2013-11-02

An in silico vaccine discovery pipeline for eukaryotic pathogens typically consists of several computational tools to predict protein characteristics. The aim of the in silico approach to discovering subunit vaccines is to use predicted characteristics to identify proteins which are worthy of laboratory investigation. A major challenge is that these predictions are inherent with hidden inaccuracies and contradictions. This study focuses on how to reduce the number of false candidates using machine learning algorithms rather than relying on expensive laboratory validation. Proteins from Toxoplasma gondii, Plasmodium sp., and Caenorhabditis elegans were used as training and test datasets. The results show that machine learning algorithms can effectively distinguish expected true from expected false vaccine candidates (with an average sensitivity and specificity of 0.97 and 0.98 respectively), for proteins observed to induce immune responses experimentally. Vaccine candidates from an in silico approach can only be truly validated in a laboratory. Given any in silico output and appropriate training data, the number of false candidates allocated for validation can be dramatically reduced using a pool of machine learning algorithms. This will ultimately save time and money in the laboratory.

A Machine Learning Framework for Plan Payment Risk Adjustment.

PubMed

Rose, Sherri

2016-12-01

To introduce cross-validation and a nonparametric machine learning framework for plan payment risk adjustment and then assess whether they have the potential to improve risk adjustment. 2011-2012 Truven MarketScan database. We compare the performance of multiple statistical approaches within a broad machine learning framework for estimation of risk adjustment formulas. Total annual expenditure was predicted using age, sex, geography, inpatient diagnoses, and hierarchical condition category variables. The methods included regression, penalized regression, decision trees, neural networks, and an ensemble super learner, all in concert with screening algorithms that reduce the set of variables considered. The performance of these methods was compared based on cross-validated R 2 . Our results indicate that a simplified risk adjustment formula selected via this nonparametric framework maintains much of the efficiency of a traditional larger formula. The ensemble approach also outperformed classical regression and all other algorithms studied. The implementation of cross-validated machine learning techniques provides novel insight into risk adjustment estimation, possibly allowing for a simplified formula, thereby reducing incentives for increased coding intensity as well as the ability of insurers to "game" the system with aggressive diagnostic upcoding. © Health Research and Educational Trust.

A novel strategy for classifying the output from an in silico vaccine discovery pipeline for eukaryotic pathogens using machine learning algorithms

PubMed Central

2013-01-01

Background An in silico vaccine discovery pipeline for eukaryotic pathogens typically consists of several computational tools to predict protein characteristics. The aim of the in silico approach to discovering subunit vaccines is to use predicted characteristics to identify proteins which are worthy of laboratory investigation. A major challenge is that these predictions are inherent with hidden inaccuracies and contradictions. This study focuses on how to reduce the number of false candidates using machine learning algorithms rather than relying on expensive laboratory validation. Proteins from Toxoplasma gondii, Plasmodium sp., and Caenorhabditis elegans were used as training and test datasets. Results The results show that machine learning algorithms can effectively distinguish expected true from expected false vaccine candidates (with an average sensitivity and specificity of 0.97 and 0.98 respectively), for proteins observed to induce immune responses experimentally. Conclusions Vaccine candidates from an in silico approach can only be truly validated in a laboratory. Given any in silico output and appropriate training data, the number of false candidates allocated for validation can be dramatically reduced using a pool of machine learning algorithms. This will ultimately save time and money in the laboratory. PMID:24180526

Machine Learning to Predict, Detect, and Intervene Older Adults Vulnerable for Adverse Drug Events in the Emergency Department.

PubMed

Ouchi, Kei; Lindvall, Charlotta; Chai, Peter R; Boyer, Edward W

2018-06-01

Adverse drug events (ADEs) are common and have serious consequences in older adults. ED visits are opportunities to identify and alter the course of such vulnerable patients. Current practice, however, is limited by inaccurate reporting of medication list, time-consuming medication reconciliation, and poor ADE assessment. This manuscript describes a novel approach to predict, detect, and intervene vulnerable older adults at risk of ADE using machine learning. Toxicologists' expertise in ADE is essential to creating the machine learning algorithm. Leveraging the existing electronic health records to better capture older adults at risk of ADE in the ED may improve their care.

Device-Free Localization via an Extreme Learning Machine with Parameterized Geometrical Feature Extraction.

PubMed

Zhang, Jie; Xiao, Wendong; Zhang, Sen; Huang, Shoudong

2017-04-17

Device-free localization (DFL) is becoming one of the new technologies in wireless localization field, due to its advantage that the target to be localized does not need to be attached to any electronic device. In the radio-frequency (RF) DFL system, radio transmitters (RTs) and radio receivers (RXs) are used to sense the target collaboratively, and the location of the target can be estimated by fusing the changes of the received signal strength (RSS) measurements associated with the wireless links. In this paper, we will propose an extreme learning machine (ELM) approach for DFL, to improve the efficiency and the accuracy of the localization algorithm. Different from the conventional machine learning approaches for wireless localization, in which the above differential RSS measurements are trivially used as the only input features, we introduce the parameterized geometrical representation for an affected link, which consists of its geometrical intercepts and differential RSS measurement. Parameterized geometrical feature extraction (PGFE) is performed for the affected links and the features are used as the inputs of ELM. The proposed PGFE-ELM for DFL is trained in the offline phase and performed for real-time localization in the online phase, where the estimated location of the target is obtained through the created ELM. PGFE-ELM has the advantages that the affected links used by ELM in the online phase can be different from those used for training in the offline phase, and can be more robust to deal with the uncertain combination of the detectable wireless links. Experimental results show that the proposed PGFE-ELM can improve the localization accuracy and learning speed significantly compared with a number of the existing machine learning and DFL approaches, including the weighted K-nearest neighbor (WKNN), support vector machine (SVM), back propagation neural network (BPNN), as well as the well-known radio tomographic imaging (RTI) DFL approach.

Device-Free Localization via an Extreme Learning Machine with Parameterized Geometrical Feature Extraction

PubMed Central

Zhang, Jie; Xiao, Wendong; Zhang, Sen; Huang, Shoudong

2017-01-01

Device-free localization (DFL) is becoming one of the new technologies in wireless localization field, due to its advantage that the target to be localized does not need to be attached to any electronic device. In the radio-frequency (RF) DFL system, radio transmitters (RTs) and radio receivers (RXs) are used to sense the target collaboratively, and the location of the target can be estimated by fusing the changes of the received signal strength (RSS) measurements associated with the wireless links. In this paper, we will propose an extreme learning machine (ELM) approach for DFL, to improve the efficiency and the accuracy of the localization algorithm. Different from the conventional machine learning approaches for wireless localization, in which the above differential RSS measurements are trivially used as the only input features, we introduce the parameterized geometrical representation for an affected link, which consists of its geometrical intercepts and differential RSS measurement. Parameterized geometrical feature extraction (PGFE) is performed for the affected links and the features are used as the inputs of ELM. The proposed PGFE-ELM for DFL is trained in the offline phase and performed for real-time localization in the online phase, where the estimated location of the target is obtained through the created ELM. PGFE-ELM has the advantages that the affected links used by ELM in the online phase can be different from those used for training in the offline phase, and can be more robust to deal with the uncertain combination of the detectable wireless links. Experimental results show that the proposed PGFE-ELM can improve the localization accuracy and learning speed significantly compared with a number of the existing machine learning and DFL approaches, including the weighted K-nearest neighbor (WKNN), support vector machine (SVM), back propagation neural network (BPNN), as well as the well-known radio tomographic imaging (RTI) DFL approach. PMID:28420187

Probabilistic and machine learning-based retrieval approaches for biomedical dataset retrieval

PubMed Central

Karisani, Payam; Qin, Zhaohui S; Agichtein, Eugene

2018-01-01

Abstract The bioCADDIE dataset retrieval challenge brought together different approaches to retrieval of biomedical datasets relevant to a user’s query, expressed as a text description of a needed dataset. We describe experiments in applying a data-driven, machine learning-based approach to biomedical dataset retrieval as part of this challenge. We report on a series of experiments carried out to evaluate the performance of both probabilistic and machine learning-driven techniques from information retrieval, as applied to this challenge. Our experiments with probabilistic information retrieval methods, such as query term weight optimization, automatic query expansion and simulated user relevance feedback, demonstrate that automatically boosting the weights of important keywords in a verbose query is more effective than other methods. We also show that although there is a rich space of potential representations and features available in this domain, machine learning-based re-ranking models are not able to improve on probabilistic information retrieval techniques with the currently available training data. The models and algorithms presented in this paper can serve as a viable implementation of a search engine to provide access to biomedical datasets. The retrieval performance is expected to be further improved by using additional training data that is created by expert annotation, or gathered through usage logs, clicks and other processes during natural operation of the system. Database URL: https://github.com/emory-irlab/biocaddie PMID:29688379

A comparison of machine learning and Bayesian modelling for molecular serotyping.

PubMed

Newton, Richard; Wernisch, Lorenz

2017-08-11

Streptococcus pneumoniae is a human pathogen that is a major cause of infant mortality. Identifying the pneumococcal serotype is an important step in monitoring the impact of vaccines used to protect against disease. Genomic microarrays provide an effective method for molecular serotyping. Previously we developed an empirical Bayesian model for the classification of serotypes from a molecular serotyping array. With only few samples available, a model driven approach was the only option. In the meanwhile, several thousand samples have been made available to us, providing an opportunity to investigate serotype classification by machine learning methods, which could complement the Bayesian model. We compare the performance of the original Bayesian model with two machine learning algorithms: Gradient Boosting Machines and Random Forests. We present our results as an example of a generic strategy whereby a preliminary probabilistic model is complemented or replaced by a machine learning classifier once enough data are available. Despite the availability of thousands of serotyping arrays, a problem encountered when applying machine learning methods is the lack of training data containing mixtures of serotypes; due to the large number of possible combinations. Most of the available training data comprises samples with only a single serotype. To overcome the lack of training data we implemented an iterative analysis, creating artificial training data of serotype mixtures by combining raw data from single serotype arrays. With the enhanced training set the machine learning algorithms out perform the original Bayesian model. However, for serotypes currently lacking sufficient training data the best performing implementation was a combination of the results of the Bayesian Model and the Gradient Boosting Machine. As well as being an effective method for classifying biological data, machine learning can also be used as an efficient method for revealing subtle biological insights, which we illustrate with an example.

Friction Laws Derived From the Acoustic Emissions of a Laboratory Fault by Machine Learning

NASA Astrophysics Data System (ADS)

Rouet-Leduc, B.; Hulbert, C.; Ren, C. X.; Bolton, D. C.; Marone, C.; Johnson, P. A.

2017-12-01

Fault friction controls nearly all aspects of fault rupture, yet it is only possible to measure in the laboratory. Here we describe laboratory experiments where acoustic emissions are recorded from the fault. We find that by applying a machine learning approach known as "extreme gradient boosting trees" to the continuous acoustical signal, the fault friction can be directly inferred, showing that instantaneous characteristics of the acoustic signal are a fingerprint of the frictional state. This machine learning-based inference leads to a simple law that links the acoustic signal to the friction state, and holds for every stress cycle the laboratory fault goes through. The approach does not use any other measured parameter than instantaneous statistics of the acoustic signal. This finding may have importance for inferring frictional characteristics from seismic waves in Earth where fault friction cannot be measured.

A Machine Learning Approach for Business Intelligence Analysis using Commercial Shipping Transaction Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bramer, Lisa M.; Chatterjee, Samrat; Holmes, Aimee E.

Business intelligence problems are particularly challenging due to the use of large volume and high velocity data in attempts to model and explain complex underlying phenomena. Incremental machine learning based approaches for summarizing trends and identifying anomalous behavior are often desirable in such conditions to assist domain experts in characterizing their data. The overall goal of this research is to develop a machine learning algorithm that enables predictive analysis on streaming data, detects changes and anomalies in the data, and can evolve based on the dynamic behavior of the data. Commercial shipping transaction data for the U.S. is used tomore » develop and test a Naïve Bayes model that classifies several companies into lines of businesses and demonstrates an ability to predict when the behavior of these companies changes by venturing into other lines of businesses.« less

Quantitative diagnosis of breast tumors by morphometric classification of microenvironmental myoepithelial cells using a machine learning approach

PubMed Central

Yamamoto, Yoichiro; Saito, Akira; Tateishi, Ayako; Shimojo, Hisashi; Kanno, Hiroyuki; Tsuchiya, Shinichi; Ito, Ken-ichi; Cosatto, Eric; Graf, Hans Peter; Moraleda, Rodrigo R.; Eils, Roland; Grabe, Niels

2017-01-01

Machine learning systems have recently received increased attention for their broad applications in several fields. In this study, we show for the first time that histological types of breast tumors can be classified using subtle morphological differences of microenvironmental myoepithelial cell nuclei without any direct information about neoplastic tumor cells. We quantitatively measured 11661 nuclei on the four histological types: normal cases, usual ductal hyperplasia and low/high grade ductal carcinoma in situ (DCIS). Using a machine learning system, we succeeded in classifying the four histological types with 90.9% accuracy. Electron microscopy observations suggested that the activity of typical myoepithelial cells in DCIS was lowered. Through these observations as well as meta-analytic database analyses, we developed a paracrine cross-talk-based biological mechanism of DCIS progressing to invasive cancer. Our observations support novel approaches in clinical computational diagnostics as well as in therapy development against progression. PMID:28440283

Motor-response learning at a process control panel by an autonomous robot

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spelt, P.F.; de Saussure, G.; Lyness, E.

1988-01-01

The Center for Engineering Systems Advanced Research (CESAR) was founded at Oak Ridge National Laboratory (ORNL) by the Department of Energy's Office of Energy Research/Division of Engineering and Geoscience (DOE-OER/DEG) to conduct basic research in the area of intelligent machines. Therefore, researchers at the CESAR Laboratory are engaged in a variety of research activities in the field of machine learning. In this paper, we describe our approach to a class of machine learning which involves motor response acquisition using feedback from trial-and-error learning. Our formulation is being experimentally validated using an autonomous robot, learning tasks of control panel monitoring andmore » manipulation for effect process control. The CLIPS Expert System and the associated knowledge base used by the robot in the learning process, which reside in a hypercube computer aboard the robot, are described in detail. Benchmark testing of the learning process on a robot/control panel simulation system consisting of two intercommunicating computers is presented, along with results of sample problems used to train and test the expert system. These data illustrate machine learning and the resulting performance improvement in the robot for problems similar to, but not identical with, those on which the robot was trained. Conclusions are drawn concerning the learning problems, and implications for future work on machine learning for autonomous robots are discussed. 16 refs., 4 figs., 1 tab.« less

Machine learning methods in chemoinformatics

PubMed Central

Mitchell, John B O

2014-01-01

Machine learning algorithms are generally developed in computer science or adjacent disciplines and find their way into chemical modeling by a process of diffusion. Though particular machine learning methods are popular in chemoinformatics and quantitative structure–activity relationships (QSAR), many others exist in the technical literature. This discussion is methods-based and focused on some algorithms that chemoinformatics researchers frequently use. It makes no claim to be exhaustive. We concentrate on methods for supervised learning, predicting the unknown property values of a test set of instances, usually molecules, based on the known values for a training set. Particularly relevant approaches include Artificial Neural Networks, Random Forest, Support Vector Machine, k-Nearest Neighbors and naïve Bayes classifiers. WIREs Comput Mol Sci 2014, 4:468–481. How to cite this article: WIREs Comput Mol Sci 2014, 4:468–481. doi:10.1002/wcms.1183 PMID:25285160

Characterizing Slow Slip Applying Machine Learning

NASA Astrophysics Data System (ADS)

Hulbert, C.; Rouet-Leduc, B.; Bolton, D. C.; Ren, C. X.; Marone, C.; Johnson, P. A.

2017-12-01

Over the last two decades it has become apparent from strain and GPS measurements, that slow slip on earthquake faults is a widespread phenomenon. Slow slip is also inferred from small amplitude seismic signals known as tremor and low frequency earthquakes (LFE's) and has been reproduced in laboratory studies, providing useful physical insight into the frictional properties associated with the behavior. From such laboratory studies we ask whether we can obtain quantitative information regarding the physics of friction from only the recorded continuous acoustical data originating from the fault zone. We show that by applying machine learning to the acoustical signal, we can infer upcoming slow slip failure initiation as well as the slip termination, and that we can also infer the magnitudes by a second machine learning procedure based on predicted inter-event times. We speculate that by applying this or other machine learning approaches to continuous seismic data, new information regarding the physics of faulting could be obtained.

Combining macula clinical signs and patient characteristics for age-related macular degeneration diagnosis: a machine learning approach.

PubMed

Fraccaro, Paolo; Nicolo, Massimo; Bonetto, Monica; Giacomini, Mauro; Weller, Peter; Traverso, Carlo Enrico; Prosperi, Mattia; OSullivan, Dympna

2015-01-27

To investigate machine learning methods, ranging from simpler interpretable techniques to complex (non-linear) "black-box" approaches, for automated diagnosis of Age-related Macular Degeneration (AMD). Data from healthy subjects and patients diagnosed with AMD or other retinal diseases were collected during routine visits via an Electronic Health Record (EHR) system. Patients' attributes included demographics and, for each eye, presence/absence of major AMD-related clinical signs (soft drusen, retinal pigment epitelium, defects/pigment mottling, depigmentation area, subretinal haemorrhage, subretinal fluid, macula thickness, macular scar, subretinal fibrosis). Interpretable techniques known as white box methods including logistic regression and decision trees as well as less interpreitable techniques known as black box methods, such as support vector machines (SVM), random forests and AdaBoost, were used to develop models (trained and validated on unseen data) to diagnose AMD. The gold standard was confirmed diagnosis of AMD by physicians. Sensitivity, specificity and area under the receiver operating characteristic (AUC) were used to assess performance. Study population included 487 patients (912 eyes). In terms of AUC, random forests, logistic regression and adaboost showed a mean performance of (0.92), followed by SVM and decision trees (0.90). All machine learning models identified soft drusen and age as the most discriminating variables in clinicians' decision pathways to diagnose AMD. Both black-box and white box methods performed well in identifying diagnoses of AMD and their decision pathways. Machine learning models developed through the proposed approach, relying on clinical signs identified by retinal specialists, could be embedded into EHR to provide physicians with real time (interpretable) support.

Phenotyping: Using Machine Learning for Improved Pairwise Genotype Classification Based on Root Traits

PubMed Central

Zhao, Jiangsan; Bodner, Gernot; Rewald, Boris

2016-01-01

Phenotyping local crop cultivars is becoming more and more important, as they are an important genetic source for breeding – especially in regard to inherent root system architectures. Machine learning algorithms are promising tools to assist in the analysis of complex data sets; novel approaches are need to apply them on root phenotyping data of mature plants. A greenhouse experiment was conducted in large, sand-filled columns to differentiate 16 European Pisum sativum cultivars based on 36 manually derived root traits. Through combining random forest and support vector machine models, machine learning algorithms were successfully used for unbiased identification of most distinguishing root traits and subsequent pairwise cultivar differentiation. Up to 86% of pea cultivar pairs could be distinguished based on top five important root traits (Timp5) – Timp5 differed widely between cultivar pairs. Selecting top important root traits (Timp) provided a significant improved classification compared to using all available traits or randomly selected trait sets. The most frequent Timp of mature pea cultivars was total surface area of lateral roots originating from tap root segments at 0–5 cm depth. The high classification rate implies that culturing did not lead to a major loss of variability in root system architecture in the studied pea cultivars. Our results illustrate the potential of machine learning approaches for unbiased (root) trait selection and cultivar classification based on rather small, complex phenotypic data sets derived from pot experiments. Powerful statistical approaches are essential to make use of the increasing amount of (root) phenotyping information, integrating the complex trait sets describing crop cultivars. PMID:27999587

An Analysis of Machine- and Human-Analytics in Classification.

PubMed

Tam, Gary K L; Kothari, Vivek; Chen, Min

2017-01-01

In this work, we present a study that traces the technical and cognitive processes in two visual analytics applications to a common theoretic model of soft knowledge that may be added into a visual analytics process for constructing a decision-tree model. Both case studies involved the development of classification models based on the "bag of features" approach. Both compared a visual analytics approach using parallel coordinates with a machine-learning approach using information theory. Both found that the visual analytics approach had some advantages over the machine learning approach, especially when sparse datasets were used as the ground truth. We examine various possible factors that may have contributed to such advantages, and collect empirical evidence for supporting the observation and reasoning of these factors. We propose an information-theoretic model as a common theoretic basis to explain the phenomena exhibited in these two case studies. Together we provide interconnected empirical and theoretical evidence to support the usefulness of visual analytics.

A comparative study of machine learning models for ethnicity classification

NASA Astrophysics Data System (ADS)

Trivedi, Advait; Bessie Amali, D. Geraldine

2017-11-01

This paper endeavours to adopt a machine learning approach to solve the problem of ethnicity recognition. Ethnicity identification is an important vision problem with its use cases being extended to various domains. Despite the multitude of complexity involved, ethnicity identification comes naturally to humans. This meta information can be leveraged to make several decisions, be it in target marketing or security. With the recent development of intelligent systems a sub module to efficiently capture ethnicity would be useful in several use cases. Several attempts to identify an ideal learning model to represent a multi-ethnic dataset have been recorded. A comparative study of classifiers such as support vector machines, logistic regression has been documented. Experimental results indicate that the logical classifier provides a much accurate classification than the support vector machine.

Nonlinear programming for classification problems in machine learning

NASA Astrophysics Data System (ADS)

Astorino, Annabella; Fuduli, Antonio; Gaudioso, Manlio

2016-10-01

We survey some nonlinear models for classification problems arising in machine learning. In the last years this field has become more and more relevant due to a lot of practical applications, such as text and web classification, object recognition in machine vision, gene expression profile analysis, DNA and protein analysis, medical diagnosis, customer profiling etc. Classification deals with separation of sets by means of appropriate separation surfaces, which is generally obtained by solving a numerical optimization model. While linear separability is the basis of the most popular approach to classification, the Support Vector Machine (SVM), in the recent years using nonlinear separating surfaces has received some attention. The objective of this work is to recall some of such proposals, mainly in terms of the numerical optimization models. In particular we tackle the polyhedral, ellipsoidal, spherical and conical separation approaches and, for some of them, we also consider the semisupervised versions.

Effect of Bayesian Student Modeling on Academic Achievement in Foreign Language Teaching (University Level English Preparatory School Example)

ERIC Educational Resources Information Center

Aslan, Burak Galip; Öztürk, Özlem; Inceoglu, Mustafa Murat

2014-01-01

Considering the increasing importance of adaptive approaches in CALL systems, this study implemented a machine learning based student modeling middleware with Bayesian networks. The profiling approach of the student modeling system is based on Felder and Silverman's Learning Styles Model and Felder and Soloman's Index of Learning Styles…

Mapping groundwater contamination risk of multiple aquifers using multi-model ensemble of machine learning algorithms.

PubMed

Barzegar, Rahim; Moghaddam, Asghar Asghari; Deo, Ravinesh; Fijani, Elham; Tziritis, Evangelos

2018-04-15

Constructing accurate and reliable groundwater risk maps provide scientifically prudent and strategic measures for the protection and management of groundwater. The objectives of this paper are to design and validate machine learning based-risk maps using ensemble-based modelling with an integrative approach. We employ the extreme learning machines (ELM), multivariate regression splines (MARS), M5 Tree and support vector regression (SVR) applied in multiple aquifer systems (e.g. unconfined, semi-confined and confined) in the Marand plain, North West Iran, to encapsulate the merits of individual learning algorithms in a final committee-based ANN model. The DRASTIC Vulnerability Index (VI) ranged from 56.7 to 128.1, categorized with no risk, low and moderate vulnerability thresholds. The correlation coefficient (r) and Willmott's Index (d) between NO 3 concentrations and VI were 0.64 and 0.314, respectively. To introduce improvements in the original DRASTIC method, the vulnerability indices were adjusted by NO 3 concentrations, termed as the groundwater contamination risk (GCR). Seven DRASTIC parameters utilized as the model inputs and GCR values utilized as the outputs of individual machine learning models were served in the fully optimized committee-based ANN-predictive model. The correlation indicators demonstrated that the ELM and SVR models outperformed the MARS and M5 Tree models, by virtue of a larger d and r value. Subsequently, the r and d metrics for the ANN-committee based multi-model in the testing phase were 0.8889 and 0.7913, respectively; revealing the superiority of the integrated (or ensemble) machine learning models when compared with the original DRASTIC approach. The newly designed multi-model ensemble-based approach can be considered as a pragmatic step for mapping groundwater contamination risks of multiple aquifer systems with multi-model techniques, yielding the high accuracy of the ANN committee-based model. Copyright © 2017 Elsevier B.V. All rights reserved.

Machine Learning in Intrusion Detection

DTIC Science & Technology

2005-07-01

machine learning tasks. Anomaly detection provides the core technology for a broad spectrum of security-centric applications. In this dissertation, we examine various aspects of anomaly based intrusion detection in computer security. First, we present a new approach to learn program behavior for intrusion detection. Text categorization techniques are adopted to convert each process to a vector and calculate the similarity between two program activities. Then the k-nearest neighbor classifier is employed to classify program behavior as normal or intrusive. We demonstrate

Machine Learning of Fault Friction

NASA Astrophysics Data System (ADS)

Johnson, P. A.; Rouet-Leduc, B.; Hulbert, C.; Marone, C.; Guyer, R. A.

2017-12-01

We are applying machine learning (ML) techniques to continuous acoustic emission (AE) data from laboratory earthquake experiments. Our goal is to apply explicit ML methods to this acoustic datathe AE in order to infer frictional properties of a laboratory fault. The experiment is a double direct shear apparatus comprised of fault blocks surrounding fault gouge comprised of glass beads or quartz powder. Fault characteristics are recorded, including shear stress, applied load (bulk friction = shear stress/normal load) and shear velocity. The raw acoustic signal is continuously recorded. We rely on explicit decision tree approaches (Random Forest and Gradient Boosted Trees) that allow us to identify important features linked to the fault friction. A training procedure that employs both the AE and the recorded shear stress from the experiment is first conducted. Then, testing takes place on data the algorithm has never seen before, using only the continuous AE signal. We find that these methods provide rich information regarding frictional processes during slip (Rouet-Leduc et al., 2017a; Hulbert et al., 2017). In addition, similar machine learning approaches predict failure times, as well as slip magnitudes in some cases. We find that these methods work for both stick slip and slow slip experiments, for periodic slip and for aperiodic slip. We also derive a fundamental relationship between the AE and the friction describing the frictional behavior of any earthquake slip cycle in a given experiment (Rouet-Leduc et al., 2017b). Our goal is to ultimately scale these approaches to Earth geophysical data to probe fault friction. References Rouet-Leduc, B., C. Hulbert, N. Lubbers, K. Barros, C. Humphreys and P. A. Johnson, Machine learning predicts laboratory earthquakes, in review (2017). https://arxiv.org/abs/1702.05774Rouet-LeDuc, B. et al., Friction Laws Derived From the Acoustic Emissions of a Laboratory Fault by Machine Learning (2017), AGU Fall Meeting Session S025: Earthquake source: from the laboratory to the fieldHulbert, C., Characterizing slow slip applying machine learning (2017), AGU Fall Meeting Session S019: Slow slip, Tectonic Tremor, and the Brittle-to-Ductile Transition Zone: What mechanisms control the diversity of slow and fast earthquakes?

Probability estimation with machine learning methods for dichotomous and multicategory outcome: theory.

PubMed

Kruppa, Jochen; Liu, Yufeng; Biau, Gérard; Kohler, Michael; König, Inke R; Malley, James D; Ziegler, Andreas

2014-07-01

Probability estimation for binary and multicategory outcome using logistic and multinomial logistic regression has a long-standing tradition in biostatistics. However, biases may occur if the model is misspecified. In contrast, outcome probabilities for individuals can be estimated consistently with machine learning approaches, including k-nearest neighbors (k-NN), bagged nearest neighbors (b-NN), random forests (RF), and support vector machines (SVM). Because machine learning methods are rarely used by applied biostatisticians, the primary goal of this paper is to explain the concept of probability estimation with these methods and to summarize recent theoretical findings. Probability estimation in k-NN, b-NN, and RF can be embedded into the class of nonparametric regression learning machines; therefore, we start with the construction of nonparametric regression estimates and review results on consistency and rates of convergence. In SVMs, outcome probabilities for individuals are estimated consistently by repeatedly solving classification problems. For SVMs we review classification problem and then dichotomous probability estimation. Next we extend the algorithms for estimating probabilities using k-NN, b-NN, and RF to multicategory outcomes and discuss approaches for the multicategory probability estimation problem using SVM. In simulation studies for dichotomous and multicategory dependent variables we demonstrate the general validity of the machine learning methods and compare it with logistic regression. However, each method fails in at least one simulation scenario. We conclude with a discussion of the failures and give recommendations for selecting and tuning the methods. Applications to real data and example code are provided in a companion article (doi:10.1002/bimj.201300077). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detecting epileptic seizure with different feature extracting strategies using robust machine learning classification techniques by applying advance parameter optimization approach.

PubMed

Hussain, Lal

2018-06-01

Epilepsy is a neurological disorder produced due to abnormal excitability of neurons in the brain. The research reveals that brain activity is monitored through electroencephalogram (EEG) of patients suffered from seizure to detect the epileptic seizure. The performance of EEG detection based epilepsy require feature extracting strategies. In this research, we have extracted varying features extracting strategies based on time and frequency domain characteristics, nonlinear, wavelet based entropy and few statistical features. A deeper study was undertaken using novel machine learning classifiers by considering multiple factors. The support vector machine kernels are evaluated based on multiclass kernel and box constraint level. Likewise, for K-nearest neighbors (KNN), we computed the different distance metrics, Neighbor weights and Neighbors. Similarly, the decision trees we tuned the paramours based on maximum splits and split criteria and ensemble classifiers are evaluated based on different ensemble methods and learning rate. For training/testing tenfold Cross validation was employed and performance was evaluated in form of TPR, NPR, PPV, accuracy and AUC. In this research, a deeper analysis approach was performed using diverse features extracting strategies using robust machine learning classifiers with more advanced optimal options. Support Vector Machine linear kernel and KNN with City block distance metric give the overall highest accuracy of 99.5% which was higher than using the default parameters for these classifiers. Moreover, highest separation (AUC = 0.9991, 0.9990) were obtained at different kernel scales using SVM. Additionally, the K-nearest neighbors with inverse squared distance weight give higher performance at different Neighbors. Moreover, to distinguish the postictal heart rate oscillations from epileptic ictal subjects, and highest performance of 100% was obtained using different machine learning classifiers.

Can machine learning complement traditional medical device surveillance? A case study of dual-chamber implantable cardioverter–defibrillators

PubMed Central

Ross, Joseph S; Bates, Jonathan; Parzynski, Craig S; Akar, Joseph G; Curtis, Jeptha P; Desai, Nihar R; Freeman, James V; Gamble, Ginger M; Kuntz, Richard; Li, Shu-Xia; Marinac-Dabic, Danica; Masoudi, Frederick A; Normand, Sharon-Lise T; Ranasinghe, Isuru; Shaw, Richard E; Krumholz, Harlan M

2017-01-01

Background Machine learning methods may complement traditional analytic methods for medical device surveillance. Methods and results Using data from the National Cardiovascular Data Registry for implantable cardioverter–defibrillators (ICDs) linked to Medicare administrative claims for longitudinal follow-up, we applied three statistical approaches to safety-signal detection for commonly used dual-chamber ICDs that used two propensity score (PS) models: one specified by subject-matter experts (PS-SME), and the other one by machine learning-based selection (PS-ML). The first approach used PS-SME and cumulative incidence (time-to-event), the second approach used PS-SME and cumulative risk (Data Extraction and Longitudinal Trend Analysis [DELTA]), and the third approach used PS-ML and cumulative risk (embedded feature selection). Safety-signal surveillance was conducted for eleven dual-chamber ICD models implanted at least 2,000 times over 3 years. Between 2006 and 2010, there were 71,948 Medicare fee-for-service beneficiaries who received dual-chamber ICDs. Cumulative device-specific unadjusted 3-year event rates varied for three surveyed safety signals: death from any cause, 12.8%–20.9%; nonfatal ICD-related adverse events, 19.3%–26.3%; and death from any cause or nonfatal ICD-related adverse event, 27.1%–37.6%. Agreement among safety signals detected/not detected between the time-to-event and DELTA approaches was 90.9% (360 of 396, k=0.068), between the time-to-event and embedded feature-selection approaches was 91.7% (363 of 396, k=−0.028), and between the DELTA and embedded feature selection approaches was 88.1% (349 of 396, k=−0.042). Conclusion Three statistical approaches, including one machine learning method, identified important safety signals, but without exact agreement. Ensemble methods may be needed to detect all safety signals for further evaluation during medical device surveillance. PMID:28860874

Deep learning of support vector machines with class probability output networks.

PubMed

Kim, Sangwook; Yu, Zhibin; Kil, Rhee Man; Lee, Minho

2015-04-01

Deep learning methods endeavor to learn features automatically at multiple levels and allow systems to learn complex functions mapping from the input space to the output space for the given data. The ability to learn powerful features automatically is increasingly important as the volume of data and range of applications of machine learning methods continues to grow. This paper proposes a new deep architecture that uses support vector machines (SVMs) with class probability output networks (CPONs) to provide better generalization power for pattern classification problems. As a result, deep features are extracted without additional feature engineering steps, using multiple layers of the SVM classifiers with CPONs. The proposed structure closely approaches the ideal Bayes classifier as the number of layers increases. Using a simulation of classification problems, the effectiveness of the proposed method is demonstrated. Copyright © 2014 Elsevier Ltd. All rights reserved.

A Deep Learning Approach for Fault Diagnosis of Induction Motors in Manufacturing

NASA Astrophysics Data System (ADS)

Shao, Si-Yu; Sun, Wen-Jun; Yan, Ru-Qiang; Wang, Peng; Gao, Robert X.

2017-11-01

Extracting features from original signals is a key procedure for traditional fault diagnosis of induction motors, as it directly influences the performance of fault recognition. However, high quality features need expert knowledge and human intervention. In this paper, a deep learning approach based on deep belief networks (DBN) is developed to learn features from frequency distribution of vibration signals with the purpose of characterizing working status of induction motors. It combines feature extraction procedure with classification task together to achieve automated and intelligent fault diagnosis. The DBN model is built by stacking multiple-units of restricted Boltzmann machine (RBM), and is trained using layer-by-layer pre-training algorithm. Compared with traditional diagnostic approaches where feature extraction is needed, the presented approach has the ability of learning hierarchical representations, which are suitable for fault classification, directly from frequency distribution of the measurement data. The structure of the DBN model is investigated as the scale and depth of the DBN architecture directly affect its classification performance. Experimental study conducted on a machine fault simulator verifies the effectiveness of the deep learning approach for fault diagnosis of induction motors. This research proposes an intelligent diagnosis method for induction motor which utilizes deep learning model to automatically learn features from sensor data and realize working status recognition.

Predicting diabetes mellitus using SMOTE and ensemble machine learning approach: The Henry Ford ExercIse Testing (FIT) project.

PubMed

Alghamdi, Manal; Al-Mallah, Mouaz; Keteyian, Steven; Brawner, Clinton; Ehrman, Jonathan; Sakr, Sherif

2017-01-01

Machine learning is becoming a popular and important approach in the field of medical research. In this study, we investigate the relative performance of various machine learning methods such as Decision Tree, Naïve Bayes, Logistic Regression, Logistic Model Tree and Random Forests for predicting incident diabetes using medical records of cardiorespiratory fitness. In addition, we apply different techniques to uncover potential predictors of diabetes. This FIT project study used data of 32,555 patients who are free of any known coronary artery disease or heart failure who underwent clinician-referred exercise treadmill stress testing at Henry Ford Health Systems between 1991 and 2009 and had a complete 5-year follow-up. At the completion of the fifth year, 5,099 of those patients have developed diabetes. The dataset contained 62 attributes classified into four categories: demographic characteristics, disease history, medication use history, and stress test vital signs. We developed an Ensembling-based predictive model using 13 attributes that were selected based on their clinical importance, Multiple Linear Regression, and Information Gain Ranking methods. The negative effect of the imbalance class of the constructed model was handled by Synthetic Minority Oversampling Technique (SMOTE). The overall performance of the predictive model classifier was improved by the Ensemble machine learning approach using the Vote method with three Decision Trees (Naïve Bayes Tree, Random Forest, and Logistic Model Tree) and achieved high accuracy of prediction (AUC = 0.92). The study shows the potential of ensembling and SMOTE approaches for predicting incident diabetes using cardiorespiratory fitness data.

Interface Metaphors for Interactive Machine Learning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasper, Robert J.; Blaha, Leslie M.

To promote more interactive and dynamic machine learn- ing, we revisit the notion of user-interface metaphors. User-interface metaphors provide intuitive constructs for supporting user needs through interface design elements. A user-interface metaphor provides a visual or action pattern that leverages a user’s knowledge of another domain. Metaphors suggest both the visual representations that should be used in a display as well as the interactions that should be afforded to the user. We argue that user-interface metaphors can also offer a method of extracting interaction-based user feedback for use in machine learning. Metaphors offer indirect, context-based information that can be usedmore » in addition to explicit user inputs, such as user-provided labels. Implicit information from user interactions with metaphors can augment explicit user input for active learning paradigms. Or it might be leveraged in systems where explicit user inputs are more challenging to obtain. Each interaction with the metaphor provides an opportunity to gather data and learn. We argue this approach is especially important in streaming applications, where we desire machine learning systems that can adapt to dynamic, changing data.« less

Quantum-assisted Helmholtz machines: A quantum–classical deep learning framework for industrial datasets in near-term devices

NASA Astrophysics Data System (ADS)

Benedetti, Marcello; Realpe-Gómez, John; Perdomo-Ortiz, Alejandro

2018-07-01

Machine learning has been presented as one of the key applications for near-term quantum technologies, given its high commercial value and wide range of applicability. In this work, we introduce the quantum-assisted Helmholtz machine:a hybrid quantum–classical framework with the potential of tackling high-dimensional real-world machine learning datasets on continuous variables. Instead of using quantum computers only to assist deep learning, as previous approaches have suggested, we use deep learning to extract a low-dimensional binary representation of data, suitable for processing on relatively small quantum computers. Then, the quantum hardware and deep learning architecture work together to train an unsupervised generative model. We demonstrate this concept using 1644 quantum bits of a D-Wave 2000Q quantum device to model a sub-sampled version of the MNIST handwritten digit dataset with 16 × 16 continuous valued pixels. Although we illustrate this concept on a quantum annealer, adaptations to other quantum platforms, such as ion-trap technologies or superconducting gate-model architectures, could be explored within this flexible framework.

Using Learning Analytics for Preserving Academic Integrity

ERIC Educational Resources Information Center

Amigud, Alexander; Arnedo-Moreno, Joan; Daradoumis, Thanasis; Guerrero-Roldan, Ana-Elena

2017-01-01

This paper presents the results of integrating learning analytics into the assessment process to enhance academic integrity in the e-learning environment. The goal of this research is to evaluate the computational-based approach to academic integrity. The machine-learning based framework learns students' patterns of language use from data,…

Partitioned learning of deep Boltzmann machines for SNP data.

PubMed

Hess, Moritz; Lenz, Stefan; Blätte, Tamara J; Bullinger, Lars; Binder, Harald

2017-10-15

Learning the joint distributions of measurements, and in particular identification of an appropriate low-dimensional manifold, has been found to be a powerful ingredient of deep leaning approaches. Yet, such approaches have hardly been applied to single nucleotide polymorphism (SNP) data, probably due to the high number of features typically exceeding the number of studied individuals. After a brief overview of how deep Boltzmann machines (DBMs), a deep learning approach, can be adapted to SNP data in principle, we specifically present a way to alleviate the dimensionality problem by partitioned learning. We propose a sparse regression approach to coarsely screen the joint distribution of SNPs, followed by training several DBMs on SNP partitions that were identified by the screening. Aggregate features representing SNP patterns and the corresponding SNPs are extracted from the DBMs by a combination of statistical tests and sparse regression. In simulated case-control data, we show how this can uncover complex SNP patterns and augment results from univariate approaches, while maintaining type 1 error control. Time-to-event endpoints are considered in an application with acute myeloid leukemia patients, where SNP patterns are modeled after a pre-screening based on gene expression data. The proposed approach identified three SNPs that seem to jointly influence survival in a validation dataset. This indicates the added value of jointly investigating SNPs compared to standard univariate analyses and makes partitioned learning of DBMs an interesting complementary approach when analyzing SNP data. A Julia package is provided at 'http://github.com/binderh/BoltzmannMachines.jl'. binderh@imbi.uni-freiburg.de. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Application of Machine Learning Approaches for Classifying Sitting Posture Based on Force and Acceleration Sensors.

PubMed

Zemp, Roland; Tanadini, Matteo; Plüss, Stefan; Schnüriger, Karin; Singh, Navrag B; Taylor, William R; Lorenzetti, Silvio

2016-01-01

Occupational musculoskeletal disorders, particularly chronic low back pain (LBP), are ubiquitous due to prolonged static sitting or nonergonomic sitting positions. Therefore, the aim of this study was to develop an instrumented chair with force and acceleration sensors to determine the accuracy of automatically identifying the user's sitting position by applying five different machine learning methods (Support Vector Machines, Multinomial Regression, Boosting, Neural Networks, and Random Forest). Forty-one subjects were requested to sit four times in seven different prescribed sitting positions (total 1148 samples). Sixteen force sensor values and the backrest angle were used as the explanatory variables (features) for the classification. The different classification methods were compared by means of a Leave-One-Out cross-validation approach. The best performance was achieved using the Random Forest classification algorithm, producing a mean classification accuracy of 90.9% for subjects with which the algorithm was not familiar. The classification accuracy varied between 81% and 98% for the seven different sitting positions. The present study showed the possibility of accurately classifying different sitting positions by means of the introduced instrumented office chair combined with machine learning analyses. The use of such novel approaches for the accurate assessment of chair usage could offer insights into the relationships between sitting position, sitting behaviour, and the occurrence of musculoskeletal disorders.

Spoken language identification based on the enhanced self-adjusting extreme learning machine approach.

PubMed

Albadr, Musatafa Abbas Abbood; Tiun, Sabrina; Al-Dhief, Fahad Taha; Sammour, Mahmoud A M

2018-01-01

Spoken Language Identification (LID) is the process of determining and classifying natural language from a given content and dataset. Typically, data must be processed to extract useful features to perform LID. The extracting features for LID, based on literature, is a mature process where the standard features for LID have already been developed using Mel-Frequency Cepstral Coefficients (MFCC), Shifted Delta Cepstral (SDC), the Gaussian Mixture Model (GMM) and ending with the i-vector based framework. However, the process of learning based on extract features remains to be improved (i.e. optimised) to capture all embedded knowledge on the extracted features. The Extreme Learning Machine (ELM) is an effective learning model used to perform classification and regression analysis and is extremely useful to train a single hidden layer neural network. Nevertheless, the learning process of this model is not entirely effective (i.e. optimised) due to the random selection of weights within the input hidden layer. In this study, the ELM is selected as a learning model for LID based on standard feature extraction. One of the optimisation approaches of ELM, the Self-Adjusting Extreme Learning Machine (SA-ELM) is selected as the benchmark and improved by altering the selection phase of the optimisation process. The selection process is performed incorporating both the Split-Ratio and K-Tournament methods, the improved SA-ELM is named Enhanced Self-Adjusting Extreme Learning Machine (ESA-ELM). The results are generated based on LID with the datasets created from eight different languages. The results of the study showed excellent superiority relating to the performance of the Enhanced Self-Adjusting Extreme Learning Machine LID (ESA-ELM LID) compared with the SA-ELM LID, with ESA-ELM LID achieving an accuracy of 96.25%, as compared to the accuracy of SA-ELM LID of only 95.00%.

Spoken language identification based on the enhanced self-adjusting extreme learning machine approach

PubMed Central

Tiun, Sabrina; AL-Dhief, Fahad Taha; Sammour, Mahmoud A. M.

2018-01-01

Spoken Language Identification (LID) is the process of determining and classifying natural language from a given content and dataset. Typically, data must be processed to extract useful features to perform LID. The extracting features for LID, based on literature, is a mature process where the standard features for LID have already been developed using Mel-Frequency Cepstral Coefficients (MFCC), Shifted Delta Cepstral (SDC), the Gaussian Mixture Model (GMM) and ending with the i-vector based framework. However, the process of learning based on extract features remains to be improved (i.e. optimised) to capture all embedded knowledge on the extracted features. The Extreme Learning Machine (ELM) is an effective learning model used to perform classification and regression analysis and is extremely useful to train a single hidden layer neural network. Nevertheless, the learning process of this model is not entirely effective (i.e. optimised) due to the random selection of weights within the input hidden layer. In this study, the ELM is selected as a learning model for LID based on standard feature extraction. One of the optimisation approaches of ELM, the Self-Adjusting Extreme Learning Machine (SA-ELM) is selected as the benchmark and improved by altering the selection phase of the optimisation process. The selection process is performed incorporating both the Split-Ratio and K-Tournament methods, the improved SA-ELM is named Enhanced Self-Adjusting Extreme Learning Machine (ESA-ELM). The results are generated based on LID with the datasets created from eight different languages. The results of the study showed excellent superiority relating to the performance of the Enhanced Self-Adjusting Extreme Learning Machine LID (ESA-ELM LID) compared with the SA-ELM LID, with ESA-ELM LID achieving an accuracy of 96.25%, as compared to the accuracy of SA-ELM LID of only 95.00%. PMID:29672546

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.

PubMed

Schroeter, Timon Sebastian; Schwaighofer, Anton; Mika, Sebastian; Ter Laak, Antonius; Suelzle, Detlev; Ganzer, Ursula; Heinrich, Nikolaus; Müller, Klaus-Robert

2007-12-01

We investigate the use of different Machine Learning methods to construct models for aqueous solubility. Models are based on about 4000 compounds, including an in-house set of 632 drug discovery molecules of Bayer Schering Pharma. For each method, we also consider an appropriate method to obtain error bars, in order to estimate the domain of applicability (DOA) for each model. Here, we investigate error bars from a Bayesian model (Gaussian Process (GP)), an ensemble based approach (Random Forest), and approaches based on the Mahalanobis distance to training data (for Support Vector Machine and Ridge Regression models). We evaluate all approaches in terms of their prediction accuracy (in cross-validation, and on an external validation set of 536 molecules) and in how far the individual error bars can faithfully represent the actual prediction error.

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules.

PubMed

Schroeter, Timon Sebastian; Schwaighofer, Anton; Mika, Sebastian; Ter Laak, Antonius; Suelzle, Detlev; Ganzer, Ursula; Heinrich, Nikolaus; Müller, Klaus-Robert

2007-09-01

We investigate the use of different Machine Learning methods to construct models for aqueous solubility. Models are based on about 4000 compounds, including an in-house set of 632 drug discovery molecules of Bayer Schering Pharma. For each method, we also consider an appropriate method to obtain error bars, in order to estimate the domain of applicability (DOA) for each model. Here, we investigate error bars from a Bayesian model (Gaussian Process (GP)), an ensemble based approach (Random Forest), and approaches based on the Mahalanobis distance to training data (for Support Vector Machine and Ridge Regression models). We evaluate all approaches in terms of their prediction accuracy (in cross-validation, and on an external validation set of 536 molecules) and in how far the individual error bars can faithfully represent the actual prediction error.

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

NASA Astrophysics Data System (ADS)

Schroeter, Timon Sebastian; Schwaighofer, Anton; Mika, Sebastian; Ter Laak, Antonius; Suelzle, Detlev; Ganzer, Ursula; Heinrich, Nikolaus; Müller, Klaus-Robert

2007-12-01

We investigate the use of different Machine Learning methods to construct models for aqueous solubility. Models are based on about 4000 compounds, including an in-house set of 632 drug discovery molecules of Bayer Schering Pharma. For each method, we also consider an appropriate method to obtain error bars, in order to estimate the domain of applicability (DOA) for each model. Here, we investigate error bars from a Bayesian model (Gaussian Process (GP)), an ensemble based approach (Random Forest), and approaches based on the Mahalanobis distance to training data (for Support Vector Machine and Ridge Regression models). We evaluate all approaches in terms of their prediction accuracy (in cross-validation, and on an external validation set of 536 molecules) and in how far the individual error bars can faithfully represent the actual prediction error.

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

NASA Astrophysics Data System (ADS)

Schroeter, Timon Sebastian; Schwaighofer, Anton; Mika, Sebastian; Ter Laak, Antonius; Suelzle, Detlev; Ganzer, Ursula; Heinrich, Nikolaus; Müller, Klaus-Robert

2007-09-01

We investigate the use of different Machine Learning methods to construct models for aqueous solubility. Models are based on about 4000 compounds, including an in-house set of 632 drug discovery molecules of Bayer Schering Pharma. For each method, we also consider an appropriate method to obtain error bars, in order to estimate the domain of applicability (DOA) for each model. Here, we investigate error bars from a Bayesian model (Gaussian Process (GP)), an ensemble based approach (Random Forest), and approaches based on the Mahalanobis distance to training data (for Support Vector Machine and Ridge Regression models). We evaluate all approaches in terms of their prediction accuracy (in cross-validation, and on an external validation set of 536 molecules) and in how far the individual error bars can faithfully represent the actual prediction error.

Virtual screening by a new Clustering-based Weighted Similarity Extreme Learning Machine approach

PubMed Central

Kudisthalert, Wasu

2018-01-01

Machine learning techniques are becoming popular in virtual screening tasks. One of the powerful machine learning algorithms is Extreme Learning Machine (ELM) which has been applied to many applications and has recently been applied to virtual screening. We propose the Weighted Similarity ELM (WS-ELM) which is based on a single layer feed-forward neural network in a conjunction of 16 different similarity coefficients as activation function in the hidden layer. It is known that the performance of conventional ELM is not robust due to random weight selection in the hidden layer. Thus, we propose a Clustering-based WS-ELM (CWS-ELM) that deterministically assigns weights by utilising clustering algorithms i.e. k-means clustering and support vector clustering. The experiments were conducted on one of the most challenging datasets–Maximum Unbiased Validation Dataset–which contains 17 activity classes carefully selected from PubChem. The proposed algorithms were then compared with other machine learning techniques such as support vector machine, random forest, and similarity searching. The results show that CWS-ELM in conjunction with support vector clustering yields the best performance when utilised together with Sokal/Sneath(1) coefficient. Furthermore, ECFP_6 fingerprint presents the best results in our framework compared to the other types of fingerprints, namely ECFP_4, FCFP_4, and FCFP_6. PMID:29652912

Survey of Machine Learning Methods for Database Security

NASA Astrophysics Data System (ADS)

Kamra, Ashish; Ber, Elisa

Application of machine learning techniques to database security is an emerging area of research. In this chapter, we present a survey of various approaches that use machine learning/data mining techniques to enhance the traditional security mechanisms of databases. There are two key database security areas in which these techniques have found applications, namely, detection of SQL Injection attacks and anomaly detection for defending against insider threats. Apart from the research prototypes and tools, various third-party commercial products are also available that provide database activity monitoring solutions by profiling database users and applications. We present a survey of such products. We end the chapter with a primer on mechanisms for responding to database anomalies.

Toolkits and Libraries for Deep Learning.

PubMed

Erickson, Bradley J; Korfiatis, Panagiotis; Akkus, Zeynettin; Kline, Timothy; Philbrick, Kenneth

2017-08-01

Deep learning is an important new area of machine learning which encompasses a wide range of neural network architectures designed to complete various tasks. In the medical imaging domain, example tasks include organ segmentation, lesion detection, and tumor classification. The most popular network architecture for deep learning for images is the convolutional neural network (CNN). Whereas traditional machine learning requires determination and calculation of features from which the algorithm learns, deep learning approaches learn the important features as well as the proper weighting of those features to make predictions for new data. In this paper, we will describe some of the libraries and tools that are available to aid in the construction and efficient execution of deep learning as applied to medical images.

Multi-task feature learning by using trace norm regularization

NASA Astrophysics Data System (ADS)

Jiangmei, Zhang; Binfeng, Yu; Haibo, Ji; Wang, Kunpeng

2017-11-01

Multi-task learning can extract the correlation of multiple related machine learning problems to improve performance. This paper considers applying the multi-task learning method to learn a single task. We propose a new learning approach, which employs the mixture of expert model to divide a learning task into several related sub-tasks, and then uses the trace norm regularization to extract common feature representation of these sub-tasks. A nonlinear extension of this approach by using kernel is also provided. Experiments conducted on both simulated and real data sets demonstrate the advantage of the proposed approach.

A Framework for Final Drive Simultaneous Failure Diagnosis Based on Fuzzy Entropy and Sparse Bayesian Extreme Learning Machine

PubMed Central

Ye, Qing; Pan, Hao; Liu, Changhua

2015-01-01

This research proposes a novel framework of final drive simultaneous failure diagnosis containing feature extraction, training paired diagnostic models, generating decision threshold, and recognizing simultaneous failure modes. In feature extraction module, adopt wavelet package transform and fuzzy entropy to reduce noise interference and extract representative features of failure mode. Use single failure sample to construct probability classifiers based on paired sparse Bayesian extreme learning machine which is trained only by single failure modes and have high generalization and sparsity of sparse Bayesian learning approach. To generate optimal decision threshold which can convert probability output obtained from classifiers into final simultaneous failure modes, this research proposes using samples containing both single and simultaneous failure modes and Grid search method which is superior to traditional techniques in global optimization. Compared with other frequently used diagnostic approaches based on support vector machine and probability neural networks, experiment results based on F 1-measure value verify that the diagnostic accuracy and efficiency of the proposed framework which are crucial for simultaneous failure diagnosis are superior to the existing approach. PMID:25722717

Entity recognition in the biomedical domain using a hybrid approach.

PubMed

Basaldella, Marco; Furrer, Lenz; Tasso, Carlo; Rinaldi, Fabio

2017-11-09

This article describes a high-recall, high-precision approach for the extraction of biomedical entities from scientific articles. The approach uses a two-stage pipeline, combining a dictionary-based entity recognizer with a machine-learning classifier. First, the OGER entity recognizer, which has a bias towards high recall, annotates the terms that appear in selected domain ontologies. Subsequently, the Distiller framework uses this information as a feature for a machine learning algorithm to select the relevant entities only. For this step, we compare two different supervised machine-learning algorithms: Conditional Random Fields and Neural Networks. In an in-domain evaluation using the CRAFT corpus, we test the performance of the combined systems when recognizing chemicals, cell types, cellular components, biological processes, molecular functions, organisms, proteins, and biological sequences. Our best system combines dictionary-based candidate generation with Neural-Network-based filtering. It achieves an overall precision of 86% at a recall of 60% on the named entity recognition task, and a precision of 51% at a recall of 49% on the concept recognition task. These results are to our knowledge the best reported so far in this particular task.

Study of Environmental Data Complexity using Extreme Learning Machine

NASA Astrophysics Data System (ADS)

Leuenberger, Michael; Kanevski, Mikhail

2017-04-01

The main goals of environmental data science using machine learning algorithm deal, in a broad sense, around the calibration, the prediction and the visualization of hidden relationship between input and output variables. In order to optimize the models and to understand the phenomenon under study, the characterization of the complexity (at different levels) should be taken into account. Therefore, the identification of the linear or non-linear behavior between input and output variables adds valuable information for the knowledge of the phenomenon complexity. The present research highlights and investigates the different issues that can occur when identifying the complexity (linear/non-linear) of environmental data using machine learning algorithm. In particular, the main attention is paid to the description of a self-consistent methodology for the use of Extreme Learning Machines (ELM, Huang et al., 2006), which recently gained a great popularity. By applying two ELM models (with linear and non-linear activation functions) and by comparing their efficiency, quantification of the linearity can be evaluated. The considered approach is accompanied by simulated and real high dimensional and multivariate data case studies. In conclusion, the current challenges and future development in complexity quantification using environmental data mining are discussed. References - Huang, G.-B., Zhu, Q.-Y., Siew, C.-K., 2006. Extreme learning machine: theory and applications. Neurocomputing 70 (1-3), 489-501. - Kanevski, M., Pozdnoukhov, A., Timonin, V., 2009. Machine Learning for Spatial Environmental Data. EPFL Press; Lausanne, Switzerland, p.392. - Leuenberger, M., Kanevski, M., 2015. Extreme Learning Machines for spatial environmental data. Computers and Geosciences 85, 64-73.

Emotion detection from text

NASA Astrophysics Data System (ADS)

Ramalingam, V. V.; Pandian, A.; Jaiswal, Abhijeet; Bhatia, Nikhar

2018-04-01

This paper presents a novel method based on concept of Machine Learning for Emotion Detection using various algorithms of Support Vector Machine and major emotions described are linked to the Word-Net for enhanced accuracy. The approach proposed plays a promising role to augment the Artificial Intelligence in the near future and could be vital in optimization of Human-Machine Interface.

Using Machine-Learning and Visualisation to Facilitate Learner Interpretation of Source Material

ERIC Educational Resources Information Center

Wolff, Annika; Mulholland, Paul; Zdrahal, Zdenek

2014-01-01

This paper describes an approach for supporting inquiry learning from source materials, realised and tested through a tool-kit. The approach is optimised for tasks that require a student to make interpretations across sets of resources, where opinions and justifications may be hard to articulate. We adopt a dialogue-based approach to learning…

Advanced methods in NDE using machine learning approaches

NASA Astrophysics Data System (ADS)

Wunderlich, Christian; Tschöpe, Constanze; Duckhorn, Frank

2018-04-01

Machine learning (ML) methods and algorithms have been applied recently with great success in quality control and predictive maintenance. Its goal to build new and/or leverage existing algorithms to learn from training data and give accurate predictions, or to find patterns, particularly with new and unseen similar data, fits perfectly to Non-Destructive Evaluation. The advantages of ML in NDE are obvious in such tasks as pattern recognition in acoustic signals or automated processing of images from X-ray, Ultrasonics or optical methods. Fraunhofer IKTS is using machine learning algorithms in acoustic signal analysis. The approach had been applied to such a variety of tasks in quality assessment. The principal approach is based on acoustic signal processing with a primary and secondary analysis step followed by a cognitive system to create model data. Already in the second analysis steps unsupervised learning algorithms as principal component analysis are used to simplify data structures. In the cognitive part of the software further unsupervised and supervised learning algorithms will be trained. Later the sensor signals from unknown samples can be recognized and classified automatically by the algorithms trained before. Recently the IKTS team was able to transfer the software for signal processing and pattern recognition to a small printed circuit board (PCB). Still, algorithms will be trained on an ordinary PC; however, trained algorithms run on the Digital Signal Processor and the FPGA chip. The identical approach will be used for pattern recognition in image analysis of OCT pictures. Some key requirements have to be fulfilled, however. A sufficiently large set of training data, a high signal-to-noise ratio, and an optimized and exact fixation of components are required. The automated testing can be done subsequently by the machine. By integrating the test data of many components along the value chain further optimization including lifetime and durability prediction based on big data becomes possible, even if components are used in different versions or configurations. This is the promise behind German Industry 4.0.

Relative optical navigation around small bodies via Extreme Learning Machine

NASA Astrophysics Data System (ADS)

Law, Andrew M.

To perform close proximity operations under a low-gravity environment, relative and absolute positions are vital information to the maneuver. Hence navigation is inseparably integrated in space travel. Extreme Learning Machine (ELM) is presented as an optical navigation method around small celestial bodies. Optical Navigation uses visual observation instruments such as a camera to acquire useful data and determine spacecraft position. The required input data for operation is merely a single image strip and a nadir image. ELM is a machine learning Single Layer feed-Forward Network (SLFN), a type of neural network (NN). The algorithm is developed on the predicate that input weights and biases can be randomly assigned and does not require back-propagation. The learned model is the output layer weights which are used to calculate a prediction. Together, Extreme Learning Machine Optical Navigation (ELM OpNav) utilizes optical images and ELM algorithm to train the machine to navigate around a target body. In this thesis the asteroid, Vesta, is the designated celestial body. The trained ELMs estimate the position of the spacecraft during operation with a single data set. The results show the approach is promising and potentially suitable for on-board navigation.

Machine Learning for Social Services: A Study of Prenatal Case Management in Illinois.

PubMed

Pan, Ian; Nolan, Laura B; Brown, Rashida R; Khan, Romana; van der Boor, Paul; Harris, Daniel G; Ghani, Rayid

2017-06-01

To evaluate the positive predictive value of machine learning algorithms for early assessment of adverse birth risk among pregnant women as a means of improving the allocation of social services. We used administrative data for 6457 women collected by the Illinois Department of Human Services from July 2014 to May 2015 to develop a machine learning model for adverse birth prediction and improve upon the existing paper-based risk assessment. We compared different models and determined the strongest predictors of adverse birth outcomes using positive predictive value as the metric for selection. Machine learning algorithms performed similarly, outperforming the current paper-based risk assessment by up to 36%; a refined paper-based assessment outperformed the current assessment by up to 22%. We estimate that these improvements will allow 100 to 170 additional high-risk pregnant women screened for program eligibility each year to receive services that would have otherwise been unobtainable. Our analysis exhibits the potential for machine learning to move government agencies toward a more data-informed approach to evaluating risk and providing social services. Overall, such efforts will improve the efficiency of allocating resource-intensive interventions.

Machine learning-based methods for prediction of linear B-cell epitopes.

PubMed

Wang, Hsin-Wei; Pai, Tun-Wen

2014-01-01

B-cell epitope prediction facilitates immunologists in designing peptide-based vaccine, diagnostic test, disease prevention, treatment, and antibody production. In comparison with T-cell epitope prediction, the performance of variable length B-cell epitope prediction is still yet to be satisfied. Fortunately, due to increasingly available verified epitope databases, bioinformaticians could adopt machine learning-based algorithms on all curated data to design an improved prediction tool for biomedical researchers. Here, we have reviewed related epitope prediction papers, especially those for linear B-cell epitope prediction. It should be noticed that a combination of selected propensity scales and statistics of epitope residues with machine learning-based tools formulated a general way for constructing linear B-cell epitope prediction systems. It is also observed from most of the comparison results that the kernel method of support vector machine (SVM) classifier outperformed other machine learning-based approaches. Hence, in this chapter, except reviewing recently published papers, we have introduced the fundamentals of B-cell epitope and SVM techniques. In addition, an example of linear B-cell prediction system based on physicochemical features and amino acid combinations is illustrated in details.

Tomography and generative training with quantum Boltzmann machines

NASA Astrophysics Data System (ADS)

Kieferová, Mária; Wiebe, Nathan

2017-12-01

The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quantum computing in general. Here we provide methods of training quantum Boltzmann machines. Our work generalizes existing methods and provides additional approaches for training quantum neural networks that compare favorably to existing methods. We further demonstrate that quantum Boltzmann machines enable a form of partial quantum state tomography that further provides a generative model for the input quantum state. Classical Boltzmann machines are incapable of this. This verifies the long-conjectured connection between tomography and quantum machine learning. Finally, we prove that classical computers cannot simulate our training process in general unless BQP=BPP , provide lower bounds on the complexity of the training procedures and numerically investigate training for small nonstoquastic Hamiltonians.

Improved detection of chemical substances from colorimetric sensor data using probabilistic machine learning

NASA Astrophysics Data System (ADS)

Mølgaard, Lasse L.; Buus, Ole T.; Larsen, Jan; Babamoradi, Hamid; Thygesen, Ida L.; Laustsen, Milan; Munk, Jens Kristian; Dossi, Eleftheria; O'Keeffe, Caroline; Lässig, Lina; Tatlow, Sol; Sandström, Lars; Jakobsen, Mogens H.

2017-05-01

We present a data-driven machine learning approach to detect drug- and explosives-precursors using colorimetric sensor technology for air-sampling. The sensing technology has been developed in the context of the CRIM-TRACK project. At present a fully- integrated portable prototype for air sampling with disposable sensing chips and automated data acquisition has been developed. The prototype allows for fast, user-friendly sampling, which has made it possible to produce large datasets of colorimetric data for different target analytes in laboratory and simulated real-world application scenarios. To make use of the highly multi-variate data produced from the colorimetric chip a number of machine learning techniques are employed to provide reliable classification of target analytes from confounders found in the air streams. We demonstrate that a data-driven machine learning method using dimensionality reduction in combination with a probabilistic classifier makes it possible to produce informative features and a high detection rate of analytes. Furthermore, the probabilistic machine learning approach provides a means of automatically identifying unreliable measurements that could produce false predictions. The robustness of the colorimetric sensor has been evaluated in a series of experiments focusing on the amphetamine pre-cursor phenylacetone as well as the improvised explosives pre-cursor hydrogen peroxide. The analysis demonstrates that the system is able to detect analytes in clean air and mixed with substances that occur naturally in real-world sampling scenarios. The technology under development in CRIM-TRACK has the potential as an effective tool to control trafficking of illegal drugs, explosive detection, or in other law enforcement applications.

Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4.

PubMed

Xing, Jing; Lu, Wenchao; Liu, Rongfeng; Wang, Yulan; Xie, Yiqian; Zhang, Hao; Shi, Zhe; Jiang, Hao; Liu, Yu-Chih; Chen, Kaixian; Jiang, Hualiang; Luo, Cheng; Zheng, Mingyue

2017-07-24

Bromodomain-containing protein 4 (BRD4) is implicated in the pathogenesis of a number of different cancers, inflammatory diseases and heart failure. Much effort has been dedicated toward discovering novel scaffold BRD4 inhibitors (BRD4is) with different selectivity profiles and potential antiresistance properties. Structure-based drug design (SBDD) and virtual screening (VS) are the most frequently used approaches. Here, we demonstrate a novel, structure-based VS approach that uses machine-learning algorithms trained on the priori structure and activity knowledge to predict the likelihood that a compound is a BRD4i based on its binding pattern with BRD4. In addition to positive experimental data, such as X-ray structures of BRD4-ligand complexes and BRD4 inhibitory potencies, negative data such as false positives (FPs) identified from our earlier ligand screening results were incorporated into our knowledge base. We used the resulting data to train a machine-learning model named BRD4LGR to predict the BRD4i-likeness of a compound. BRD4LGR achieved a 20-30% higher AUC-ROC than that of Glide using the same test set. When conducting in vitro experiments against a library of previously untested, commercially available organic compounds, the second round of VS using BRD4LGR generated 15 new BRD4is. Moreover, inverting the machine-learning model provided easy access to structure-activity relationship (SAR) interpretation for hit-to-lead optimization.

Non-Bayesian Optical Inference Machines

NASA Astrophysics Data System (ADS)

Kadar, Ivan; Eichmann, George

1987-01-01

In a recent paper, Eichmann and Caulfield) presented a preliminary exposition of optical learning machines suited for use in expert systems. In this paper, we extend the previous ideas by introducing learning as a means of reinforcement by information gathering and reasoning with uncertainty in a non-Bayesian framework2. More specifically, the non-Bayesian approach allows the representation of total ignorance (not knowing) as opposed to assuming equally likely prior distributions.

A Machine Learning and Cross-Validation Approach for the Discrimination of Vegetation Physiognomic Types Using Satellite Based Multispectral and Multitemporal Data.

PubMed

Sharma, Ram C; Hara, Keitarou; Hirayama, Hidetake

2017-01-01

This paper presents the performance and evaluation of a number of machine learning classifiers for the discrimination between the vegetation physiognomic classes using the satellite based time-series of the surface reflectance data. Discrimination of six vegetation physiognomic classes, Evergreen Coniferous Forest, Evergreen Broadleaf Forest, Deciduous Coniferous Forest, Deciduous Broadleaf Forest, Shrubs, and Herbs, was dealt with in the research. Rich-feature data were prepared from time-series of the satellite data for the discrimination and cross-validation of the vegetation physiognomic types using machine learning approach. A set of machine learning experiments comprised of a number of supervised classifiers with different model parameters was conducted to assess how the discrimination of vegetation physiognomic classes varies with classifiers, input features, and ground truth data size. The performance of each experiment was evaluated by using the 10-fold cross-validation method. Experiment using the Random Forests classifier provided highest overall accuracy (0.81) and kappa coefficient (0.78). However, accuracy metrics did not vary much with experiments. Accuracy metrics were found to be very sensitive to input features and size of ground truth data. The results obtained in the research are expected to be useful for improving the vegetation physiognomic mapping in Japan.

Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization.

PubMed

Turk, Samo; Merget, Benjamin; Rippmann, Friedrich; Fulle, Simone

2017-12-26

Matched molecular pair (MMP) analyses are widely used in compound optimization projects to gain insights into structure-activity relationships (SAR). The analysis is traditionally done via statistical methods but can also be employed together with machine learning (ML) approaches to extrapolate to novel compounds. The here introduced MMP/ML method combines a fragment-based MMP implementation with different machine learning methods to obtain automated SAR decomposition and prediction. To test the prediction capabilities and model transferability, two different compound optimization scenarios were designed: (1) "new fragments" which occurs when exploring new fragments for a defined compound series and (2) "new static core and transformations" which resembles for instance the identification of a new compound series. Very good results were achieved by all employed machine learning methods especially for the new fragments case, but overall deep neural network models performed best, allowing reliable predictions also for the new static core and transformations scenario, where comprehensive SAR knowledge of the compound series is missing. Furthermore, we show that models trained on all available data have a higher generalizability compared to models trained on focused series and can extend beyond chemical space covered in the training data. Thus, coupling MMP with deep neural networks provides a promising approach to make high quality predictions on various data sets and in different compound optimization scenarios.

Challenges in the Verification of Reinforcement Learning Algorithms

NASA Technical Reports Server (NTRS)

Van Wesel, Perry; Goodloe, Alwyn E.

2017-01-01

Machine learning (ML) is increasingly being applied to a wide array of domains from search engines to autonomous vehicles. These algorithms, however, are notoriously complex and hard to verify. This work looks at the assumptions underlying machine learning algorithms as well as some of the challenges in trying to verify ML algorithms. Furthermore, we focus on the specific challenges of verifying reinforcement learning algorithms. These are highlighted using a specific example. Ultimately, we do not offer a solution to the complex problem of ML verification, but point out possible approaches for verification and interesting research opportunities.

Comparison of machine learning and semi-quantification algorithms for (I123)FP-CIT classification: the beginning of the end for semi-quantification?

PubMed

Taylor, Jonathan Christopher; Fenner, John Wesley

2017-11-29

Semi-quantification methods are well established in the clinic for assisted reporting of (I123) Ioflupane images. Arguably, these are limited diagnostic tools. Recent research has demonstrated the potential for improved classification performance offered by machine learning algorithms. A direct comparison between methods is required to establish whether a move towards widespread clinical adoption of machine learning algorithms is justified. This study compared three machine learning algorithms with that of a range of semi-quantification methods, using the Parkinson's Progression Markers Initiative (PPMI) research database and a locally derived clinical database for validation. Machine learning algorithms were based on support vector machine classifiers with three different sets of features: Voxel intensities Principal components of image voxel intensities Striatal binding radios from the putamen and caudate. Semi-quantification methods were based on striatal binding ratios (SBRs) from both putamina, with and without consideration of the caudates. Normal limits for the SBRs were defined through four different methods: Minimum of age-matched controls Mean minus 1/1.5/2 standard deviations from age-matched controls Linear regression of normal patient data against age (minus 1/1.5/2 standard errors) Selection of the optimum operating point on the receiver operator characteristic curve from normal and abnormal training data Each machine learning and semi-quantification technique was evaluated with stratified, nested 10-fold cross-validation, repeated 10 times. The mean accuracy of the semi-quantitative methods for classification of local data into Parkinsonian and non-Parkinsonian groups varied from 0.78 to 0.87, contrasting with 0.89 to 0.95 for classifying PPMI data into healthy controls and Parkinson's disease groups. The machine learning algorithms gave mean accuracies between 0.88 to 0.92 and 0.95 to 0.97 for local and PPMI data respectively. Classification performance was lower for the local database than the research database for both semi-quantitative and machine learning algorithms. However, for both databases, the machine learning methods generated equal or higher mean accuracies (with lower variance) than any of the semi-quantification approaches. The gain in performance from using machine learning algorithms as compared to semi-quantification was relatively small and may be insufficient, when considered in isolation, to offer significant advantages in the clinical context.

Machine Learning in Radiation Oncology: Opportunities, Requirements, and Needs

PubMed Central

Feng, Mary; Valdes, Gilmer; Dixit, Nayha; Solberg, Timothy D.

2018-01-01

Machine learning (ML) has the potential to revolutionize the field of radiation oncology, but there is much work to be done. In this article, we approach the radiotherapy process from a workflow perspective, identifying specific areas where a data-centric approach using ML could improve the quality and efficiency of patient care. We highlight areas where ML has already been used, and identify areas where we should invest additional resources. We believe that this article can serve as a guide for both clinicians and researchers to start discussing issues that must be addressed in a timely manner. PMID:29719815

Management of business economic growth as function of resource rents

NASA Astrophysics Data System (ADS)

Prljić, Stefan; Nikitović, Zorana; Stojanović, Aleksandra Golubović; Cogoljević, Dušan; Pešić, Gordana; Alizamir, Meysam

2018-02-01

Economic profit could be influenced by economic rents. However natural resource rents provided different impact on the economic growth or economic profit. The main focus of the study was to evaluate the economic growth as function of natural resource rents. For such a purpose machine learning approach, artificial neural network, was used. The used natural resource rents were coal rents, forest rents, mineral rents, natural gas rents and oil rents. Based on the results it is concluded that the machine learning approach could be used as the tool for the economic growth evaluation as function of natural resource rents. Moreover the more advanced approaches should be incorporated to improve more the forecasting accuracy.

Digital imaging biomarkers feed machine learning for melanoma screening.

PubMed

Gareau, Daniel S; Correa da Rosa, Joel; Yagerman, Sarah; Carucci, John A; Gulati, Nicholas; Hueto, Ferran; DeFazio, Jennifer L; Suárez-Fariñas, Mayte; Marghoob, Ashfaq; Krueger, James G

2017-07-01

We developed an automated approach for generating quantitative image analysis metrics (imaging biomarkers) that are then analysed with a set of 13 machine learning algorithms to generate an overall risk score that is called a Q-score. These methods were applied to a set of 120 "difficult" dermoscopy images of dysplastic nevi and melanomas that were subsequently excised/classified. This approach yielded 98% sensitivity and 36% specificity for melanoma detection, approaching sensitivity/specificity of expert lesion evaluation. Importantly, we found strong spectral dependence of many imaging biomarkers in blue or red colour channels, suggesting the need to optimize spectral evaluation of pigmented lesions. © 2016 The Authors. Experimental Dermatology Published by John Wiley & Sons Ltd.

Machine Learning to Improve Energy Expenditure Estimation in Children With Disabilities: A Pilot Study in Duchenne Muscular Dystrophy.

PubMed

Pande, Amit; Mohapatra, Prasant; Nicorici, Alina; Han, Jay J

2016-07-19

Children with physical impairments are at a greater risk for obesity and decreased physical activity. A better understanding of physical activity pattern and energy expenditure (EE) would lead to a more targeted approach to intervention. This study focuses on studying the use of machine-learning algorithms for EE estimation in children with disabilities. A pilot study was conducted on children with Duchenne muscular dystrophy (DMD) to identify important factors for determining EE and develop a novel algorithm to accurately estimate EE from wearable sensor-collected data. There were 7 boys with DMD, 6 healthy control boys, and 22 control adults recruited. Data were collected using smartphone accelerometer and chest-worn heart rate sensors. The gold standard EE values were obtained from the COSMED K4b2 portable cardiopulmonary metabolic unit worn by boys (aged 6-10 years) with DMD and controls. Data from this sensor setup were collected simultaneously during a series of concurrent activities. Linear regression and nonlinear machine-learning-based approaches were used to analyze the relationship between accelerometer and heart rate readings and COSMED values. Existing calorimetry equations using linear regression and nonlinear machine-learning-based models, developed for healthy adults and young children, give low correlation to actual EE values in children with disabilities (14%-40%). The proposed model for boys with DMD uses ensemble machine learning techniques and gives a 91% correlation with actual measured EE values (root mean square error of 0.017). Our results confirm that the methods developed to determine EE using accelerometer and heart rate sensor values in normal adults are not appropriate for children with disabilities and should not be used. A much more accurate model is obtained using machine-learning-based nonlinear regression specifically developed for this target population. ©Amit Pande, Prasant Mohapatra, Alina Nicorici, Jay J Han. Originally published in JMIR Rehabilitation and Assistive Technology (http://rehab.jmir.org), 19.07.2016.

Computational prediction of multidisciplinary team decision-making for adjuvant breast cancer drug therapies: a machine learning approach.

PubMed

Lin, Frank P Y; Pokorny, Adrian; Teng, Christina; Dear, Rachel; Epstein, Richard J

2016-12-01

Multidisciplinary team (MDT) meetings are used to optimise expert decision-making about treatment options, but such expertise is not digitally transferable between centres. To help standardise medical decision-making, we developed a machine learning model designed to predict MDT decisions about adjuvant breast cancer treatments. We analysed MDT decisions regarding adjuvant systemic therapy for 1065 breast cancer cases over eight years. Machine learning classifiers with and without bootstrap aggregation were correlated with MDT decisions (recommended, not recommended, or discussable) regarding adjuvant cytotoxic, endocrine and biologic/targeted therapies, then tested for predictability using stratified ten-fold cross-validations. The predictions so derived were duly compared with those based on published (ESMO and NCCN) cancer guidelines. Machine learning more accurately predicted adjuvant chemotherapy MDT decisions than did simple application of guidelines. No differences were found between MDT- vs. ESMO/NCCN- based decisions to prescribe either adjuvant endocrine (97%, p = 0.44/0.74) or biologic/targeted therapies (98%, p = 0.82/0.59). In contrast, significant discrepancies were evident between MDT- and guideline-based decisions to prescribe chemotherapy (87%, p < 0.01, representing 43% and 53% variations from ESMO/NCCN guidelines, respectively). Using ten-fold cross-validation, the best classifiers achieved areas under the receiver operating characteristic curve (AUC) of 0.940 for chemotherapy (95% C.I., 0.922-0.958), 0.899 for the endocrine therapy (95% C.I., 0.880-0.918), and 0.977 for trastuzumab therapy (95% C.I., 0.955-0.999) respectively. Overall, bootstrap aggregated classifiers performed better among all evaluated machine learning models. A machine learning approach based on clinicopathologic characteristics can predict MDT decisions about adjuvant breast cancer drug therapies. The discrepancy between MDT- and guideline-based decisions regarding adjuvant chemotherapy implies that certain non-clincopathologic criteria, such as patient preference and resource availability, are factored into clinical decision-making by local experts but not captured by guidelines.

Geological applications of machine learning on hyperspectral remote sensing data

NASA Astrophysics Data System (ADS)

Tse, C. H.; Li, Yi-liang; Lam, Edmund Y.

2015-02-01

The CRISM imaging spectrometer orbiting Mars has been producing a vast amount of data in the visible to infrared wavelengths in the form of hyperspectral data cubes. These data, compared with those obtained from previous remote sensing techniques, yield an unprecedented level of detailed spectral resolution in additional to an ever increasing level of spatial information. A major challenge brought about by the data is the burden of processing and interpreting these datasets and extract the relevant information from it. This research aims at approaching the challenge by exploring machine learning methods especially unsupervised learning to achieve cluster density estimation and classification, and ultimately devising an efficient means leading to identification of minerals. A set of software tools have been constructed by Python to access and experiment with CRISM hyperspectral cubes selected from two specific Mars locations. A machine learning pipeline is proposed and unsupervised learning methods were implemented onto pre-processed datasets. The resulting data clusters are compared with the published ASTER spectral library and browse data products from the Planetary Data System (PDS). The result demonstrated that this approach is capable of processing the huge amount of hyperspectral data and potentially providing guidance to scientists for more detailed studies.

Towards Machine Learning of Motor Skills

NASA Astrophysics Data System (ADS)

Peters, Jan; Schaal, Stefan; Schölkopf, Bernhard

Autonomous robots that can adapt to novel situations has been a long standing vision of robotics, artificial intelligence, and cognitive sciences. Early approaches to this goal during the heydays of artificial intelligence research in the late 1980s, however, made it clear that an approach purely based on reasoning or human insights would not be able to model all the perceptuomotor tasks that a robot should fulfill. Instead, new hope was put in the growing wake of machine learning that promised fully adaptive control algorithms which learn both by observation and trial-and-error. However, to date, learning techniques have yet to fulfill this promise as only few methods manage to scale into the high-dimensional domains of manipulator robotics, or even the new upcoming trend of humanoid robotics, and usually scaling was only achieved in precisely pre-structured domains. In this paper, we investigate the ingredients for a general approach to motor skill learning in order to get one step closer towards human-like performance. For doing so, we study two major components for such an approach, i.e., firstly, a theoretically well-founded general approach to representing the required control structures for task representation and execution and, secondly, appropriate learning algorithms which can be applied in this setting.

Recent machine learning advancements in sensor-based mobility analysis: Deep learning for Parkinson's disease assessment.

PubMed

Eskofier, Bjoern M; Lee, Sunghoon I; Daneault, Jean-Francois; Golabchi, Fatemeh N; Ferreira-Carvalho, Gabriela; Vergara-Diaz, Gloria; Sapienza, Stefano; Costante, Gianluca; Klucken, Jochen; Kautz, Thomas; Bonato, Paolo

2016-08-01

The development of wearable sensors has opened the door for long-term assessment of movement disorders. However, there is still a need for developing methods suitable to monitor motor symptoms in and outside the clinic. The purpose of this paper was to investigate deep learning as a method for this monitoring. Deep learning recently broke records in speech and image classification, but it has not been fully investigated as a potential approach to analyze wearable sensor data. We collected data from ten patients with idiopathic Parkinson's disease using inertial measurement units. Several motor tasks were expert-labeled and used for classification. We specifically focused on the detection of bradykinesia. For this, we compared standard machine learning pipelines with deep learning based on convolutional neural networks. Our results showed that deep learning outperformed other state-of-the-art machine learning algorithms by at least 4.6 % in terms of classification rate. We contribute a discussion of the advantages and disadvantages of deep learning for sensor-based movement assessment and conclude that deep learning is a promising method for this field.

Semi-supervised protein subcellular localization.

PubMed

Xu, Qian; Hu, Derek Hao; Xue, Hong; Yu, Weichuan; Yang, Qiang

2009-01-30

Protein subcellular localization is concerned with predicting the location of a protein within a cell using computational method. The location information can indicate key functionalities of proteins. Accurate predictions of subcellular localizations of protein can aid the prediction of protein function and genome annotation, as well as the identification of drug targets. Computational methods based on machine learning, such as support vector machine approaches, have already been widely used in the prediction of protein subcellular localization. However, a major drawback of these machine learning-based approaches is that a large amount of data should be labeled in order to let the prediction system learn a classifier of good generalization ability. However, in real world cases, it is laborious, expensive and time-consuming to experimentally determine the subcellular localization of a protein and prepare instances of labeled data. In this paper, we present an approach based on a new learning framework, semi-supervised learning, which can use much fewer labeled instances to construct a high quality prediction model. We construct an initial classifier using a small set of labeled examples first, and then use unlabeled instances to refine the classifier for future predictions. Experimental results show that our methods can effectively reduce the workload for labeling data using the unlabeled data. Our method is shown to enhance the state-of-the-art prediction results of SVM classifiers by more than 10%.

Machine learning algorithms to classify spinal muscular atrophy subtypes.

PubMed

Srivastava, Tuhin; Darras, Basil T; Wu, Jim S; Rutkove, Seward B

2012-07-24

The development of better biomarkers for disease assessment remains an ongoing effort across the spectrum of neurologic illnesses. One approach for refining biomarkers is based on the concept of machine learning, in which individual, unrelated biomarkers are simultaneously evaluated. In this cross-sectional study, we assess the possibility of using machine learning, incorporating both quantitative muscle ultrasound (QMU) and electrical impedance myography (EIM) data, for classification of muscles affected by spinal muscular atrophy (SMA). Twenty-one normal subjects, 15 subjects with SMA type 2, and 10 subjects with SMA type 3 underwent EIM and QMU measurements of unilateral biceps, wrist extensors, quadriceps, and tibialis anterior. EIM and QMU parameters were then applied in combination using a support vector machine (SVM), a type of machine learning, in an attempt to accurately categorize 165 individual muscles. For all 3 classification problems, normal vs SMA, normal vs SMA 3, and SMA 2 vs SMA 3, use of SVM provided the greatest accuracy in discrimination, surpassing both EIM and QMU individually. For example, the accuracy, as measured by the receiver operating characteristic area under the curve (ROC-AUC) for the SVM discriminating SMA 2 muscles from SMA 3 muscles was 0.928; in comparison, the ROC-AUCs for EIM and QMU parameters alone were only 0.877 (p < 0.05) and 0.627 (p < 0.05), respectively. Combining EIM and QMU data categorizes individual SMA-affected muscles with very high accuracy. Further investigation of this approach for classifying and for following the progression of neuromuscular illness is warranted.

Collaborative Learning: Cognitive and Computational Approaches. Advances in Learning and Instruction Series.

ERIC Educational Resources Information Center

Dillenbourg, Pierre, Ed.

Intended to illustrate the benefits of collaboration between scientists from psychology and computer science, namely machine learning, this book contains the following chapters, most of which are co-authored by scholars from both sides: (1) "Introduction: What Do You Mean by 'Collaborative Learning'?" (Pierre Dillenbourg); (2)…

Cross-platform normalization of microarray and RNA-seq data for machine learning applications

PubMed Central

Thompson, Jeffrey A.; Tan, Jie

2016-01-01

Large, publicly available gene expression datasets are often analyzed with the aid of machine learning algorithms. Although RNA-seq is increasingly the technology of choice, a wealth of expression data already exist in the form of microarray data. If machine learning models built from legacy data can be applied to RNA-seq data, larger, more diverse training datasets can be created and validation can be performed on newly generated data. We developed Training Distribution Matching (TDM), which transforms RNA-seq data for use with models constructed from legacy platforms. We evaluated TDM, as well as quantile normalization, nonparanormal transformation, and a simple log2 transformation, on both simulated and biological datasets of gene expression. Our evaluation included both supervised and unsupervised machine learning approaches. We found that TDM exhibited consistently strong performance across settings and that quantile normalization also performed well in many circumstances. We also provide a TDM package for the R programming language. PMID:26844019

Comparing statistical and machine learning classifiers: alternatives for predictive modeling in human factors research.

PubMed

Carnahan, Brian; Meyer, Gérard; Kuntz, Lois-Ann

2003-01-01

Multivariate classification models play an increasingly important role in human factors research. In the past, these models have been based primarily on discriminant analysis and logistic regression. Models developed from machine learning research offer the human factors professional a viable alternative to these traditional statistical classification methods. To illustrate this point, two machine learning approaches--genetic programming and decision tree induction--were used to construct classification models designed to predict whether or not a student truck driver would pass his or her commercial driver license (CDL) examination. The models were developed and validated using the curriculum scores and CDL exam performances of 37 student truck drivers who had completed a 320-hr driver training course. Results indicated that the machine learning classification models were superior to discriminant analysis and logistic regression in terms of predictive accuracy. Actual or potential applications of this research include the creation of models that more accurately predict human performance outcomes.

Can We Train Machine Learning Methods to Outperform the High-dimensional Propensity Score Algorithm?

PubMed

Karim, Mohammad Ehsanul; Pang, Menglan; Platt, Robert W

2018-03-01

The use of retrospective health care claims datasets is frequently criticized for the lack of complete information on potential confounders. Utilizing patient's health status-related information from claims datasets as surrogates or proxies for mismeasured and unobserved confounders, the high-dimensional propensity score algorithm enables us to reduce bias. Using a previously published cohort study of postmyocardial infarction statin use (1998-2012), we compare the performance of the algorithm with a number of popular machine learning approaches for confounder selection in high-dimensional covariate spaces: random forest, least absolute shrinkage and selection operator, and elastic net. Our results suggest that, when the data analysis is done with epidemiologic principles in mind, machine learning methods perform as well as the high-dimensional propensity score algorithm. Using a plasmode framework that mimicked the empirical data, we also showed that a hybrid of machine learning and high-dimensional propensity score algorithms generally perform slightly better than both in terms of mean squared error, when a bias-based analysis is used.

Quantitative approaches to energy and glucose homeostasis: machine learning and modelling for precision understanding and prediction

PubMed Central

Murphy, Kevin G.; Jones, Nick S.

2018-01-01

Obesity is a major global public health problem. Understanding how energy homeostasis is regulated, and can become dysregulated, is crucial for developing new treatments for obesity. Detailed recording of individual behaviour and new imaging modalities offer the prospect of medically relevant models of energy homeostasis that are both understandable and individually predictive. The profusion of data from these sources has led to an interest in applying machine learning techniques to gain insight from these large, relatively unstructured datasets. We review both physiological models and machine learning results across a diverse range of applications in energy homeostasis, and highlight how modelling and machine learning can work together to improve predictive ability. We collect quantitative details in a comprehensive mathematical supplement. We also discuss the prospects of forecasting homeostatic behaviour and stress the importance of characterizing stochasticity within and between individuals in order to provide practical, tailored forecasts and guidance to combat the spread of obesity. PMID:29367240

A Machine Learning Approach to Pedestrian Detection for Autonomous Vehicles Using High-Definition 3D Range Data

PubMed Central

Navarro, Pedro J.; Fernández, Carlos; Borraz, Raúl; Alonso, Diego

2016-01-01

This article describes an automated sensor-based system to detect pedestrians in an autonomous vehicle application. Although the vehicle is equipped with a broad set of sensors, the article focuses on the processing of the information generated by a Velodyne HDL-64E LIDAR sensor. The cloud of points generated by the sensor (more than 1 million points per revolution) is processed to detect pedestrians, by selecting cubic shapes and applying machine vision and machine learning algorithms to the XY, XZ, and YZ projections of the points contained in the cube. The work relates an exhaustive analysis of the performance of three different machine learning algorithms: k-Nearest Neighbours (kNN), Naïve Bayes classifier (NBC), and Support Vector Machine (SVM). These algorithms have been trained with 1931 samples. The final performance of the method, measured a real traffic scenery, which contained 16 pedestrians and 469 samples of non-pedestrians, shows sensitivity (81.2%), accuracy (96.2%) and specificity (96.8%). PMID:28025565

A Machine Learning Approach to Pedestrian Detection for Autonomous Vehicles Using High-Definition 3D Range Data.

PubMed

Navarro, Pedro J; Fernández, Carlos; Borraz, Raúl; Alonso, Diego

2016-12-23

This article describes an automated sensor-based system to detect pedestrians in an autonomous vehicle application. Although the vehicle is equipped with a broad set of sensors, the article focuses on the processing of the information generated by a Velodyne HDL-64E LIDAR sensor. The cloud of points generated by the sensor (more than 1 million points per revolution) is processed to detect pedestrians, by selecting cubic shapes and applying machine vision and machine learning algorithms to the XY, XZ, and YZ projections of the points contained in the cube. The work relates an exhaustive analysis of the performance of three different machine learning algorithms: k-Nearest Neighbours (kNN), Naïve Bayes classifier (NBC), and Support Vector Machine (SVM). These algorithms have been trained with 1931 samples. The final performance of the method, measured a real traffic scenery, which contained 16 pedestrians and 469 samples of non-pedestrians, shows sensitivity (81.2%), accuracy (96.2%) and specificity (96.8%).

Automatic Earthquake Detection by Active Learning

NASA Astrophysics Data System (ADS)

Bergen, K.; Beroza, G. C.

2017-12-01

In recent years, advances in machine learning have transformed fields such as image recognition, natural language processing and recommender systems. Many of these performance gains have relied on the availability of large, labeled data sets to train high-accuracy models; labeled data sets are those for which each sample includes a target class label, such as waveforms tagged as either earthquakes or noise. Earthquake seismologists are increasingly leveraging machine learning and data mining techniques to detect and analyze weak earthquake signals in large seismic data sets. One of the challenges in applying machine learning to seismic data sets is the limited labeled data problem; learning algorithms need to be given examples of earthquake waveforms, but the number of known events, taken from earthquake catalogs, may be insufficient to build an accurate detector. Furthermore, earthquake catalogs are known to be incomplete, resulting in training data that may be biased towards larger events and contain inaccurate labels. This challenge is compounded by the class imbalance problem; the events of interest, earthquakes, are infrequent relative to noise in continuous data sets, and many learning algorithms perform poorly on rare classes. In this work, we investigate the use of active learning for automatic earthquake detection. Active learning is a type of semi-supervised machine learning that uses a human-in-the-loop approach to strategically supplement a small initial training set. The learning algorithm incorporates domain expertise through interaction between a human expert and the algorithm, with the algorithm actively posing queries to the user to improve detection performance. We demonstrate the potential of active machine learning to improve earthquake detection performance with limited available training data.

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach.

PubMed

Ramakrishnan, Raghunathan; Dral, Pavlo O; Rupp, Matthias; von Lilienfeld, O Anatole

2015-05-12

Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to computationally inexpensive approximate legacy quantum methods. After training, highly accurate predictions of enthalpies, free energies, entropies, and electron correlation energies are possible, for significantly larger molecular sets than used for training. For thermochemical properties of up to 16k isomers of C7H10O2 we present numerical evidence that chemical accuracy can be reached. We also predict electron correlation energy in post Hartree-Fock methods, at the computational cost of Hartree-Fock, and we establish a qualitative relationship between molecular entropy and electron correlation. The transferability of our approach is demonstrated, using semiempirical quantum chemistry and machine learning models trained on 1 and 10% of 134k organic molecules, to reproduce enthalpies of all remaining molecules at density functional theory level of accuracy.

Objective detection of apoptosis in rat renal tissue sections using light microscopy and free image analysis software with subsequent machine learning: Detection of apoptosis in renal tissue.

PubMed

Macedo, Nayana Damiani; Buzin, Aline Rodrigues; de Araujo, Isabela Bastos Binotti Abreu; Nogueira, Breno Valentim; de Andrade, Tadeu Uggere; Endringer, Denise Coutinho; Lenz, Dominik

2017-02-01

The current study proposes an automated machine learning approach for the quantification of cells in cell death pathways according to DNA fragmentation. A total of 17 images of kidney histological slide samples from male Wistar rats were used. The slides were photographed using an Axio Zeiss Vert.A1 microscope with a 40x objective lens coupled with an Axio Cam MRC Zeiss camera and Zen 2012 software. The images were analyzed using CellProfiler (version 2.1.1) and CellProfiler Analyst open-source software. Out of the 10,378 objects, 4970 (47,9%) were identified as TUNEL positive, and 5408 (52,1%) were identified as TUNEL negative. On average, the sensitivity and specificity values of the machine learning approach were 0.80 and 0.77, respectively. Image cytometry provides a quantitative analytical alternative to the more traditional qualitative methods more commonly used in studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

Machine learning methods enable predictive modeling of antibody feature:function relationships in RV144 vaccinees.

PubMed

Choi, Ickwon; Chung, Amy W; Suscovich, Todd J; Rerks-Ngarm, Supachai; Pitisuttithum, Punnee; Nitayaphan, Sorachai; Kaewkungwal, Jaranit; O'Connell, Robert J; Francis, Donald; Robb, Merlin L; Michael, Nelson L; Kim, Jerome H; Alter, Galit; Ackerman, Margaret E; Bailey-Kellogg, Chris

2015-04-01

The adaptive immune response to vaccination or infection can lead to the production of specific antibodies to neutralize the pathogen or recruit innate immune effector cells for help. The non-neutralizing role of antibodies in stimulating effector cell responses may have been a key mechanism of the protection observed in the RV144 HIV vaccine trial. In an extensive investigation of a rich set of data collected from RV144 vaccine recipients, we here employ machine learning methods to identify and model associations between antibody features (IgG subclass and antigen specificity) and effector function activities (antibody dependent cellular phagocytosis, cellular cytotoxicity, and cytokine release). We demonstrate via cross-validation that classification and regression approaches can effectively use the antibody features to robustly predict qualitative and quantitative functional outcomes. This integration of antibody feature and function data within a machine learning framework provides a new, objective approach to discovering and assessing multivariate immune correlates.

Machine Learning Methods Enable Predictive Modeling of Antibody Feature:Function Relationships in RV144 Vaccinees

PubMed Central

Choi, Ickwon; Chung, Amy W.; Suscovich, Todd J.; Rerks-Ngarm, Supachai; Pitisuttithum, Punnee; Nitayaphan, Sorachai; Kaewkungwal, Jaranit; O'Connell, Robert J.; Francis, Donald; Robb, Merlin L.; Michael, Nelson L.; Kim, Jerome H.; Alter, Galit; Ackerman, Margaret E.; Bailey-Kellogg, Chris

2015-01-01

The adaptive immune response to vaccination or infection can lead to the production of specific antibodies to neutralize the pathogen or recruit innate immune effector cells for help. The non-neutralizing role of antibodies in stimulating effector cell responses may have been a key mechanism of the protection observed in the RV144 HIV vaccine trial. In an extensive investigation of a rich set of data collected from RV144 vaccine recipients, we here employ machine learning methods to identify and model associations between antibody features (IgG subclass and antigen specificity) and effector function activities (antibody dependent cellular phagocytosis, cellular cytotoxicity, and cytokine release). We demonstrate via cross-validation that classification and regression approaches can effectively use the antibody features to robustly predict qualitative and quantitative functional outcomes. This integration of antibody feature and function data within a machine learning framework provides a new, objective approach to discovering and assessing multivariate immune correlates. PMID:25874406

Machine learning approach for automated screening of malaria parasite using light microscopic images.

PubMed

Das, Dev Kumar; Ghosh, Madhumala; Pal, Mallika; Maiti, Asok K; Chakraborty, Chandan

2013-02-01

The aim of this paper is to address the development of computer assisted malaria parasite characterization and classification using machine learning approach based on light microscopic images of peripheral blood smears. In doing this, microscopic image acquisition from stained slides, illumination correction and noise reduction, erythrocyte segmentation, feature extraction, feature selection and finally classification of different stages of malaria (Plasmodium vivax and Plasmodium falciparum) have been investigated. The erythrocytes are segmented using marker controlled watershed transformation and subsequently total ninety six features describing shape-size and texture of erythrocytes are extracted in respect to the parasitemia infected versus non-infected cells. Ninety four features are found to be statistically significant in discriminating six classes. Here a feature selection-cum-classification scheme has been devised by combining F-statistic, statistical learning techniques i.e., Bayesian learning and support vector machine (SVM) in order to provide the higher classification accuracy using best set of discriminating features. Results show that Bayesian approach provides the highest accuracy i.e., 84% for malaria classification by selecting 19 most significant features while SVM provides highest accuracy i.e., 83.5% with 9 most significant features. Finally, the performance of these two classifiers under feature selection framework has been compared toward malaria parasite classification. Copyright © 2012 Elsevier Ltd. All rights reserved.

Feature Selection for Speech Emotion Recognition in Spanish and Basque: On the Use of Machine Learning to Improve Human-Computer Interaction

PubMed Central

Arruti, Andoni; Cearreta, Idoia; Álvarez, Aitor; Lazkano, Elena; Sierra, Basilio

2014-01-01

Study of emotions in human–computer interaction is a growing research area. This paper shows an attempt to select the most significant features for emotion recognition in spoken Basque and Spanish Languages using different methods for feature selection. RekEmozio database was used as the experimental data set. Several Machine Learning paradigms were used for the emotion classification task. Experiments were executed in three phases, using different sets of features as classification variables in each phase. Moreover, feature subset selection was applied at each phase in order to seek for the most relevant feature subset. The three phases approach was selected to check the validity of the proposed approach. Achieved results show that an instance-based learning algorithm using feature subset selection techniques based on evolutionary algorithms is the best Machine Learning paradigm in automatic emotion recognition, with all different feature sets, obtaining a mean of 80,05% emotion recognition rate in Basque and a 74,82% in Spanish. In order to check the goodness of the proposed process, a greedy searching approach (FSS-Forward) has been applied and a comparison between them is provided. Based on achieved results, a set of most relevant non-speaker dependent features is proposed for both languages and new perspectives are suggested. PMID:25279686

SubCellProt: predicting protein subcellular localization using machine learning approaches.

PubMed

Garg, Prabha; Sharma, Virag; Chaudhari, Pradeep; Roy, Nilanjan

2009-01-01

High-throughput genome sequencing projects continue to churn out enormous amounts of raw sequence data. However, most of this raw sequence data is unannotated and, hence, not very useful. Among the various approaches to decipher the function of a protein, one is to determine its localization. Experimental approaches for proteome annotation including determination of a protein's subcellular localizations are very costly and labor intensive. Besides the available experimental methods, in silico methods present alternative approaches to accomplish this task. Here, we present two machine learning approaches for prediction of the subcellular localization of a protein from the primary sequence information. Two machine learning algorithms, k Nearest Neighbor (k-NN) and Probabilistic Neural Network (PNN) were used to classify an unknown protein into one of the 11 subcellular localizations. The final prediction is made on the basis of a consensus of the predictions made by two algorithms and a probability is assigned to it. The results indicate that the primary sequence derived features like amino acid composition, sequence order and physicochemical properties can be used to assign subcellular localization with a fair degree of accuracy. Moreover, with the enhanced accuracy of our approach and the definition of a prediction domain, this method can be used for proteome annotation in a high throughput manner. SubCellProt is available at www.databases.niper.ac.in/SubCellProt.

Experimental search for high-temperature ferroelectric perovskites guided by two-step machine learning.

PubMed

Balachandran, Prasanna V; Kowalski, Benjamin; Sehirlioglu, Alp; Lookman, Turab

2018-04-26

Experimental search for high-temperature ferroelectric perovskites is a challenging task due to the vast chemical space and lack of predictive guidelines. Here, we demonstrate a two-step machine learning approach to guide experiments in search of xBi[Formula: see text]O 3 -(1 - x)PbTiO 3 -based perovskites with high ferroelectric Curie temperature. These involve classification learning to screen for compositions in the perovskite structures, and regression coupled to active learning to identify promising perovskites for synthesis and feedback. The problem is challenging because the search space is vast, spanning ~61,500 compositions and only 167 are experimentally studied. Furthermore, not every composition can be synthesized in the perovskite phase. In this work, we predict x, y, Me', and Me″ such that the resulting compositions have both high Curie temperature and form in the perovskite structure. Outcomes from both successful and failed experiments then iteratively refine the machine learning models via an active learning loop. Our approach finds six perovskites out of ten compositions synthesized, including three previously unexplored {Me'Me″} pairs, with 0.2Bi(Fe 0.12 Co 0.88 )O 3 -0.8PbTiO 3 showing the highest measured Curie temperature of 898 K among them.

Machine-learning in grading of gliomas based on multi-parametric magnetic resonance imaging at 3T.

PubMed

Citak-Er, Fusun; Firat, Zeynep; Kovanlikaya, Ilhami; Ture, Ugur; Ozturk-Isik, Esin

2018-06-15

The objective of this study was to assess the contribution of multi-parametric (mp) magnetic resonance imaging (MRI) quantitative features in the machine learning-based grading of gliomas with a multi-region-of-interests approach. Forty-three patients who were newly diagnosed as having a glioma were included in this study. The patients were scanned prior to any therapy using a standard brain tumor magnetic resonance (MR) imaging protocol that included T1 and T2-weighted, diffusion-weighted, diffusion tensor, MR perfusion and MR spectroscopic imaging. Three different regions-of-interest were drawn for each subject to encompass tumor, immediate tumor periphery, and distant peritumoral edema/normal. The normalized mp-MRI features were used to build machine-learning models for differentiating low-grade gliomas (WHO grades I and II) from high grades (WHO grades III and IV). In order to assess the contribution of regional mp-MRI quantitative features to the classification models, a support vector machine-based recursive feature elimination method was applied prior to classification. A machine-learning model based on support vector machine algorithm with linear kernel achieved an accuracy of 93.0%, a specificity of 86.7%, and a sensitivity of 96.4% for the grading of gliomas using ten-fold cross validation based on the proposed subset of the mp-MRI features. In this study, machine-learning based on multiregional and multi-parametric MRI data has proven to be an important tool in grading glial tumors accurately even in this limited patient population. Future studies are needed to investigate the use of machine learning algorithms for brain tumor classification in a larger patient cohort. Copyright © 2018. Published by Elsevier Ltd.

Evaluating data distribution and drift vulnerabilities of machine learning algorithms in secure and adversarial environments

NASA Astrophysics Data System (ADS)

Nelson, Kevin; Corbin, George; Blowers, Misty

2014-05-01

Machine learning is continuing to gain popularity due to its ability to solve problems that are difficult to model using conventional computer programming logic. Much of the current and past work has focused on algorithm development, data processing, and optimization. Lately, a subset of research has emerged which explores issues related to security. This research is gaining traction as systems employing these methods are being applied to both secure and adversarial environments. One of machine learning's biggest benefits, its data-driven versus logic-driven approach, is also a weakness if the data on which the models rely are corrupted. Adversaries could maliciously influence systems which address drift and data distribution changes using re-training and online learning. Our work is focused on exploring the resilience of various machine learning algorithms to these data-driven attacks. In this paper, we present our initial findings using Monte Carlo simulations, and statistical analysis, to explore the maximal achievable shift to a classification model, as well as the required amount of control over the data.

Machine learning for inverse lithography: using stochastic gradient descent for robust photomask synthesis

NASA Astrophysics Data System (ADS)

Jia, Ningning; Y Lam, Edmund

2010-04-01

Inverse lithography technology (ILT) synthesizes photomasks by solving an inverse imaging problem through optimization of an appropriate functional. Much effort on ILT is dedicated to deriving superior masks at a nominal process condition. However, the lower k1 factor causes the mask to be more sensitive to process variations. Robustness to major process variations, such as focus and dose variations, is desired. In this paper, we consider the focus variation as a stochastic variable, and treat the mask design as a machine learning problem. The stochastic gradient descent approach, which is a useful tool in machine learning, is adopted to train the mask design. Compared with previous work, simulation shows that the proposed algorithm is effective in producing robust masks.

ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches.

PubMed

Lei, Tailong; Sun, Huiyong; Kang, Yu; Zhu, Feng; Liu, Hui; Zhou, Wenfang; Wang, Zhe; Li, Dan; Li, Youyong; Hou, Tingjun

2017-11-06

Xenobiotic chemicals and their metabolites are mainly excreted out of our bodies by the urinary tract through the urine. Chemical-induced urinary tract toxicity is one of the main reasons that cause failure during drug development, and it is a common adverse event for medications, natural supplements, and environmental chemicals. Despite its importance, there are only a few in silico models for assessing urinary tract toxicity for a large number of compounds with diverse chemical structures. Here, we developed a series of qualitative and quantitative structure-activity relationship (QSAR) models for predicting urinary tract toxicity. In our study, the recursive feature elimination method incorporated with random forests (RFE-RF) was used for dimension reduction, and then eight machine learning approaches were used for QSAR modeling, i.e., relevance vector machine (RVM), support vector machine (SVM), regularized random forest (RRF), C5.0 trees, eXtreme gradient boosting (XGBoost), AdaBoost.M1, SVM boosting (SVMBoost), and RVM boosting (RVMBoost). For building classification models, the synthetic minority oversampling technique was used to handle the imbalance data set problem. Among all the machine learning approaches, SVMBoost based on the RBF kernel achieves both the best quantitative (q ext 2 = 0.845) and qualitative predictions for the test set (MCC of 0.787, AUC of 0.893, sensitivity of 89.6%, specificity of 94.1%, and global accuracy of 90.8%). The application domains were then analyzed, and all of the tested chemicals fall within the application domain coverage. We also examined the structure features of the chemicals with large prediction errors. In brief, both the regression and classification models developed by the SVMBoost approach have reliable prediction capability for assessing chemical-induced urinary tract toxicity.

Applying a machine learning model using a locally preserving projection based feature regeneration algorithm to predict breast cancer risk

NASA Astrophysics Data System (ADS)

Heidari, Morteza; Zargari Khuzani, Abolfazl; Danala, Gopichandh; Mirniaharikandehei, Seyedehnafiseh; Qian, Wei; Zheng, Bin

2018-03-01

Both conventional and deep machine learning has been used to develop decision-support tools applied in medical imaging informatics. In order to take advantages of both conventional and deep learning approach, this study aims to investigate feasibility of applying a locally preserving projection (LPP) based feature regeneration algorithm to build a new machine learning classifier model to predict short-term breast cancer risk. First, a computer-aided image processing scheme was used to segment and quantify breast fibro-glandular tissue volume. Next, initially computed 44 image features related to the bilateral mammographic tissue density asymmetry were extracted. Then, an LLP-based feature combination method was applied to regenerate a new operational feature vector using a maximal variance approach. Last, a k-nearest neighborhood (KNN) algorithm based machine learning classifier using the LPP-generated new feature vectors was developed to predict breast cancer risk. A testing dataset involving negative mammograms acquired from 500 women was used. Among them, 250 were positive and 250 remained negative in the next subsequent mammography screening. Applying to this dataset, LLP-generated feature vector reduced the number of features from 44 to 4. Using a leave-onecase-out validation method, area under ROC curve produced by the KNN classifier significantly increased from 0.62 to 0.68 (p < 0.05) and odds ratio was 4.60 with a 95% confidence interval of [3.16, 6.70]. Study demonstrated that this new LPP-based feature regeneration approach enabled to produce an optimal feature vector and yield improved performance in assisting to predict risk of women having breast cancer detected in the next subsequent mammography screening.

Predicting Solar Activity Using Machine-Learning Methods

NASA Astrophysics Data System (ADS)

Bobra, M.

2017-12-01

Of all the activity observed on the Sun, two of the most energetic events are flares and coronal mass ejections. However, we do not, as of yet, fully understand the physical mechanism that triggers solar eruptions. A machine-learning algorithm, which is favorable in cases where the amount of data is large, is one way to [1] empirically determine the signatures of this mechanism in solar image data and [2] use them to predict solar activity. In this talk, we discuss the application of various machine learning algorithms - specifically, a Support Vector Machine, a sparse linear regression (Lasso), and Convolutional Neural Network - to image data from the photosphere, chromosphere, transition region, and corona taken by instruments aboard the Solar Dynamics Observatory in order to predict solar activity on a variety of time scales. Such an approach may be useful since, at the present time, there are no physical models of flares available for real-time prediction. We discuss our results (Bobra and Couvidat, 2015; Bobra and Ilonidis, 2016; Jonas et al., 2017) as well as other attempts to predict flares using machine-learning (e.g. Ahmed et al., 2013; Nishizuka et al. 2017) and compare these results with the more traditional techniques used by the NOAA Space Weather Prediction Center (Crown, 2012). We also discuss some of the challenges in using machine-learning algorithms for space science applications.

Learning to predict chemical reactions.

PubMed

Kayala, Matthew A; Azencott, Chloé-Agathe; Chen, Jonathan H; Baldi, Pierre

2011-09-26

Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles, respectively, are not high throughput, are not generalizable or scalable, and lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry data set consisting of 1630 full multistep reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top-ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of nonproductive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system is generalizable, making reasonable predictions over reactants and conditions which the rule-based expert does not handle. A web interface to the machine learning based mechanistic reaction predictor is accessible through our chemoinformatics portal ( http://cdb.ics.uci.edu) under the Toolkits section.

Learning to Predict Chemical Reactions

PubMed Central

Kayala, Matthew A.; Azencott, Chloé-Agathe; Chen, Jonathan H.

2011-01-01

Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles respectively are not high-throughput, are not generalizable or scalable, or lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry dataset consisting of 1630 full multi-step reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval, problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of non-productive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system is generalizable, making reasonable predictions over reactants and conditions which the rule-based expert does not handle. A web interface to the machine learning based mechanistic reaction predictor is accessible through our chemoinformatics portal (http://cdb.ics.uci.edu) under the Toolkits section. PMID:21819139

Teaching Machines, Programming, Computers, and Instructional Technology: The Roots of Performance Technology.

ERIC Educational Resources Information Center

Deutsch, William

1992-01-01

Reviews the history of the development of the field of performance technology. Highlights include early teaching machines, instructional technology, learning theory, programed instruction, the systems approach, needs assessment, branching versus linear program formats, programing languages, and computer-assisted instruction. (LRW)

Feature-Free Activity Classification of Inertial Sensor Data With Machine Vision Techniques: Method, Development, and Evaluation.

PubMed

Dominguez Veiga, Jose Juan; O'Reilly, Martin; Whelan, Darragh; Caulfield, Brian; Ward, Tomas E

2017-08-04

Inertial sensors are one of the most commonly used sources of data for human activity recognition (HAR) and exercise detection (ED) tasks. The time series produced by these sensors are generally analyzed through numerical methods. Machine learning techniques such as random forests or support vector machines are popular in this field for classification efforts, but they need to be supported through the isolation of a potentially large number of additionally crafted features derived from the raw data. This feature preprocessing step can involve nontrivial digital signal processing (DSP) techniques. However, in many cases, the researchers interested in this type of activity recognition problems do not possess the necessary technical background for this feature-set development. The study aimed to present a novel application of established machine vision methods to provide interested researchers with an easier entry path into the HAR and ED fields. This can be achieved by removing the need for deep DSP skills through the use of transfer learning. This can be done by using a pretrained convolutional neural network (CNN) developed for machine vision purposes for exercise classification effort. The new method should simply require researchers to generate plots of the signals that they would like to build classifiers with, store them as images, and then place them in folders according to their training label before retraining the network. We applied a CNN, an established machine vision technique, to the task of ED. Tensorflow, a high-level framework for machine learning, was used to facilitate infrastructure needs. Simple time series plots generated directly from accelerometer and gyroscope signals are used to retrain an openly available neural network (Inception), originally developed for machine vision tasks. Data from 82 healthy volunteers, performing 5 different exercises while wearing a lumbar-worn inertial measurement unit (IMU), was collected. The ability of the proposed method to automatically classify the exercise being completed was assessed using this dataset. For comparative purposes, classification using the same dataset was also performed using the more conventional approach of feature-extraction and classification using random forest classifiers. With the collected dataset and the proposed method, the different exercises could be recognized with a 95.89% (3827/3991) accuracy, which is competitive with current state-of-the-art techniques in ED. The high level of accuracy attained with the proposed approach indicates that the waveform morphologies in the time-series plots for each of the exercises is sufficiently distinct among the participants to allow the use of machine vision approaches. The use of high-level machine learning frameworks, coupled with the novel use of machine vision techniques instead of complex manually crafted features, may facilitate access to research in the HAR field for individuals without extensive digital signal processing or machine learning backgrounds. ©Jose Juan Dominguez Veiga, Martin O'Reilly, Darragh Whelan, Brian Caulfield, Tomas E Ward. Originally published in JMIR Mhealth and Uhealth (http://mhealth.jmir.org), 04.08.2017.

Feature-Free Activity Classification of Inertial Sensor Data With Machine Vision Techniques: Method, Development, and Evaluation

PubMed Central

O'Reilly, Martin; Whelan, Darragh; Caulfield, Brian; Ward, Tomas E

2017-01-01

Background Inertial sensors are one of the most commonly used sources of data for human activity recognition (HAR) and exercise detection (ED) tasks. The time series produced by these sensors are generally analyzed through numerical methods. Machine learning techniques such as random forests or support vector machines are popular in this field for classification efforts, but they need to be supported through the isolation of a potentially large number of additionally crafted features derived from the raw data. This feature preprocessing step can involve nontrivial digital signal processing (DSP) techniques. However, in many cases, the researchers interested in this type of activity recognition problems do not possess the necessary technical background for this feature-set development. Objective The study aimed to present a novel application of established machine vision methods to provide interested researchers with an easier entry path into the HAR and ED fields. This can be achieved by removing the need for deep DSP skills through the use of transfer learning. This can be done by using a pretrained convolutional neural network (CNN) developed for machine vision purposes for exercise classification effort. The new method should simply require researchers to generate plots of the signals that they would like to build classifiers with, store them as images, and then place them in folders according to their training label before retraining the network. Methods We applied a CNN, an established machine vision technique, to the task of ED. Tensorflow, a high-level framework for machine learning, was used to facilitate infrastructure needs. Simple time series plots generated directly from accelerometer and gyroscope signals are used to retrain an openly available neural network (Inception), originally developed for machine vision tasks. Data from 82 healthy volunteers, performing 5 different exercises while wearing a lumbar-worn inertial measurement unit (IMU), was collected. The ability of the proposed method to automatically classify the exercise being completed was assessed using this dataset. For comparative purposes, classification using the same dataset was also performed using the more conventional approach of feature-extraction and classification using random forest classifiers. Results With the collected dataset and the proposed method, the different exercises could be recognized with a 95.89% (3827/3991) accuracy, which is competitive with current state-of-the-art techniques in ED. Conclusions The high level of accuracy attained with the proposed approach indicates that the waveform morphologies in the time-series plots for each of the exercises is sufficiently distinct among the participants to allow the use of machine vision approaches. The use of high-level machine learning frameworks, coupled with the novel use of machine vision techniques instead of complex manually crafted features, may facilitate access to research in the HAR field for individuals without extensive digital signal processing or machine learning backgrounds. PMID:28778851

Quantum adiabatic machine learning

NASA Astrophysics Data System (ADS)

Pudenz, Kristen L.; Lidar, Daniel A.

2013-05-01

We develop an approach to machine learning and anomaly detection via quantum adiabatic evolution. This approach consists of two quantum phases, with some amount of classical preprocessing to set up the quantum problems. In the training phase we identify an optimal set of weak classifiers, to form a single strong classifier. In the testing phase we adiabatically evolve one or more strong classifiers on a superposition of inputs in order to find certain anomalous elements in the classification space. Both the training and testing phases are executed via quantum adiabatic evolution. All quantum processing is strictly limited to two-qubit interactions so as to ensure physical feasibility. We apply and illustrate this approach in detail to the problem of software verification and validation, with a specific example of the learning phase applied to a problem of interest in flight control systems. Beyond this example, the algorithm can be used to attack a broad class of anomaly detection problems.

Machine learning of parameter control doctrine for sensor and communication systems. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamen, R.B.; Dillard, R.A.

Artificial-intelligence approaches to learning were reviewed for their potential contributions to the construction of a system to learn parameter-control doctrine. Separate learning tasks were isolated and several levels of related problems were distinguished. Formulas for providing the learning system with measures of its performance were derived for four kinds of targets.

Machine Learning

NASA Astrophysics Data System (ADS)

Hoffmann, Achim; Mahidadia, Ashesh

The purpose of this chapter is to present fundamental ideas and techniques of machine learning suitable for the field of this book, i.e., for automated scientific discovery. The chapter focuses on those symbolic machine learning methods, which produce results that are suitable to be interpreted and understood by humans. This is particularly important in the context of automated scientific discovery as the scientific theories to be produced by machines are usually meant to be interpreted by humans. This chapter contains some of the most influential ideas and concepts in machine learning research to give the reader a basic insight into the field. After the introduction in Sect. 1, general ideas of how learning problems can be framed are given in Sect. 2. The section provides useful perspectives to better understand what learning algorithms actually do. Section 3 presents the Version space model which is an early learning algorithm as well as a conceptual framework, that provides important insight into the general mechanisms behind most learning algorithms. In section 4, a family of learning algorithms, the AQ family for learning classification rules is presented. The AQ family belongs to the early approaches in machine learning. The next, Sect. 5 presents the basic principles of decision tree learners. Decision tree learners belong to the most influential class of inductive learning algorithms today. Finally, a more recent group of learning systems are presented in Sect. 6, which learn relational concepts within the framework of logic programming. This is a particularly interesting group of learning systems since the framework allows also to incorporate background knowledge which may assist in generalisation. Section 7 discusses Association Rules - a technique that comes from the related field of Data mining. Section 8 presents the basic idea of the Naive Bayesian Classifier. While this is a very popular learning technique, the learning result is not well suited for human comprehension as it is essentially a large collection of probability values. In Sect. 9, we present a generic method for improving accuracy of a given learner by generatingmultiple classifiers using variations of the training data. While this works well in most cases, the resulting classifiers have significantly increased complexity and, hence, tend to destroy the human readability of the learning result that a single learner may produce. Section 10 contains a summary, mentions briefly other techniques not discussed in this chapter and presents outlook on the potential of machine learning in the future.

Clinical data miner: an electronic case report form system with integrated data preprocessing and machine-learning libraries supporting clinical diagnostic model research.

PubMed

Installé, Arnaud Jf; Van den Bosch, Thierry; De Moor, Bart; Timmerman, Dirk

2014-10-20

Using machine-learning techniques, clinical diagnostic model research extracts diagnostic models from patient data. Traditionally, patient data are often collected using electronic Case Report Form (eCRF) systems, while mathematical software is used for analyzing these data using machine-learning techniques. Due to the lack of integration between eCRF systems and mathematical software, extracting diagnostic models is a complex, error-prone process. Moreover, due to the complexity of this process, it is usually only performed once, after a predetermined number of data points have been collected, without insight into the predictive performance of the resulting models. The objective of the study of Clinical Data Miner (CDM) software framework is to offer an eCRF system with integrated data preprocessing and machine-learning libraries, improving efficiency of the clinical diagnostic model research workflow, and to enable optimization of patient inclusion numbers through study performance monitoring. The CDM software framework was developed using a test-driven development (TDD) approach, to ensure high software quality. Architecturally, CDM's design is split over a number of modules, to ensure future extendability. The TDD approach has enabled us to deliver high software quality. CDM's eCRF Web interface is in active use by the studies of the International Endometrial Tumor Analysis consortium, with over 4000 enrolled patients, and more studies planned. Additionally, a derived user interface has been used in six separate interrater agreement studies. CDM's integrated data preprocessing and machine-learning libraries simplify some otherwise manual and error-prone steps in the clinical diagnostic model research workflow. Furthermore, CDM's libraries provide study coordinators with a method to monitor a study's predictive performance as patient inclusions increase. To our knowledge, CDM is the only eCRF system integrating data preprocessing and machine-learning libraries. This integration improves the efficiency of the clinical diagnostic model research workflow. Moreover, by simplifying the generation of learning curves, CDM enables study coordinators to assess more accurately when data collection can be terminated, resulting in better models or lower patient recruitment costs.

Recurrent neural networks with specialized word embeddings for health-domain named-entity recognition.

PubMed

Jauregi Unanue, Iñigo; Zare Borzeshi, Ehsan; Piccardi, Massimo

2017-12-01

Previous state-of-the-art systems on Drug Name Recognition (DNR) and Clinical Concept Extraction (CCE) have focused on a combination of text "feature engineering" and conventional machine learning algorithms such as conditional random fields and support vector machines. However, developing good features is inherently heavily time-consuming. Conversely, more modern machine learning approaches such as recurrent neural networks (RNNs) have proved capable of automatically learning effective features from either random assignments or automated word "embeddings". (i) To create a highly accurate DNR and CCE system that avoids conventional, time-consuming feature engineering. (ii) To create richer, more specialized word embeddings by using health domain datasets such as MIMIC-III. (iii) To evaluate our systems over three contemporary datasets. Two deep learning methods, namely the Bidirectional LSTM and the Bidirectional LSTM-CRF, are evaluated. A CRF model is set as the baseline to compare the deep learning systems to a traditional machine learning approach. The same features are used for all the models. We have obtained the best results with the Bidirectional LSTM-CRF model, which has outperformed all previously proposed systems. The specialized embeddings have helped to cover unusual words in DrugBank and MedLine, but not in the i2b2/VA dataset. We present a state-of-the-art system for DNR and CCE. Automated word embeddings has allowed us to avoid costly feature engineering and achieve higher accuracy. Nevertheless, the embeddings need to be retrained over datasets that are adequate for the domain, in order to adequately cover the domain-specific vocabulary. Copyright © 2017 Elsevier Inc. All rights reserved.

Machine-learning-assisted materials discovery using failed experiments

NASA Astrophysics Data System (ADS)

Raccuglia, Paul; Elbert, Katherine C.; Adler, Philip D. F.; Falk, Casey; Wenny, Malia B.; Mollo, Aurelio; Zeller, Matthias; Friedler, Sorelle A.; Schrier, Joshua; Norquist, Alexander J.

2016-05-01

Inorganic-organic hybrid materials such as organically templated metal oxides, metal-organic frameworks (MOFs) and organohalide perovskites have been studied for decades, and hydrothermal and (non-aqueous) solvothermal syntheses have produced thousands of new materials that collectively contain nearly all the metals in the periodic table. Nevertheless, the formation of these compounds is not fully understood, and development of new compounds relies primarily on exploratory syntheses. Simulation- and data-driven approaches (promoted by efforts such as the Materials Genome Initiative) provide an alternative to experimental trial-and-error. Three major strategies are: simulation-based predictions of physical properties (for example, charge mobility, photovoltaic properties, gas adsorption capacity or lithium-ion intercalation) to identify promising target candidates for synthetic efforts; determination of the structure-property relationship from large bodies of experimental data, enabled by integration with high-throughput synthesis and measurement tools; and clustering on the basis of similar crystallographic structure (for example, zeolite structure classification or gas adsorption properties). Here we demonstrate an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites. We used information on ‘dark’ reactions—failed or unsuccessful hydrothermal syntheses—collected from archived laboratory notebooks from our laboratory, and added physicochemical property descriptions to the raw notebook information using cheminformatics techniques. We used the resulting data to train a machine-learning model to predict reaction success. When carrying out hydrothermal synthesis experiments using previously untested, commercially available organic building blocks, our machine-learning model outperformed traditional human strategies, and successfully predicted conditions for new organically templated inorganic product formation with a success rate of 89 per cent. Inverting the machine-learning model reveals new hypotheses regarding the conditions for successful product formation.

Information extraction from multi-institutional radiology reports.

PubMed

Hassanpour, Saeed; Langlotz, Curtis P

2016-01-01

The radiology report is the most important source of clinical imaging information. It documents critical information about the patient's health and the radiologist's interpretation of medical findings. It also communicates information to the referring physicians and records that information for future clinical and research use. Although efforts to structure some radiology report information through predefined templates are beginning to bear fruit, a large portion of radiology report information is entered in free text. The free text format is a major obstacle for rapid extraction and subsequent use of information by clinicians, researchers, and healthcare information systems. This difficulty is due to the ambiguity and subtlety of natural language, complexity of described images, and variations among different radiologists and healthcare organizations. As a result, radiology reports are used only once by the clinician who ordered the study and rarely are used again for research and data mining. In this work, machine learning techniques and a large multi-institutional radiology report repository are used to extract the semantics of the radiology report and overcome the barriers to the re-use of radiology report information in clinical research and other healthcare applications. We describe a machine learning system to annotate radiology reports and extract report contents according to an information model. This information model covers the majority of clinically significant contents in radiology reports and is applicable to a wide variety of radiology study types. Our automated approach uses discriminative sequence classifiers for named-entity recognition to extract and organize clinically significant terms and phrases consistent with the information model. We evaluated our information extraction system on 150 radiology reports from three major healthcare organizations and compared its results to a commonly used non-machine learning information extraction method. We also evaluated the generalizability of our approach across different organizations by training and testing our system on data from different organizations. Our results show the efficacy of our machine learning approach in extracting the information model's elements (10-fold cross-validation average performance: precision: 87%, recall: 84%, F1 score: 85%) and its superiority and generalizability compared to the common non-machine learning approach (p-value<0.05). Our machine learning information extraction approach provides an effective automatic method to annotate and extract clinically significant information from a large collection of free text radiology reports. This information extraction system can help clinicians better understand the radiology reports and prioritize their review process. In addition, the extracted information can be used by researchers to link radiology reports to information from other data sources such as electronic health records and the patient's genome. Extracted information also can facilitate disease surveillance, real-time clinical decision support for the radiologist, and content-based image retrieval. Copyright © 2015 Elsevier B.V. All rights reserved.

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets.

PubMed

Korotcov, Alexandru; Tkachenko, Valery; Russo, Daniel P; Ekins, Sean

2017-12-04

Machine learning methods have been applied to many data sets in pharmaceutical research for several decades. The relative ease and availability of fingerprint type molecular descriptors paired with Bayesian methods resulted in the widespread use of this approach for a diverse array of end points relevant to drug discovery. Deep learning is the latest machine learning algorithm attracting attention for many of pharmaceutical applications from docking to virtual screening. Deep learning is based on an artificial neural network with multiple hidden layers and has found considerable traction for many artificial intelligence applications. We have previously suggested the need for a comparison of different machine learning methods with deep learning across an array of varying data sets that is applicable to pharmaceutical research. End points relevant to pharmaceutical research include absorption, distribution, metabolism, excretion, and toxicity (ADME/Tox) properties, as well as activity against pathogens and drug discovery data sets. In this study, we have used data sets for solubility, probe-likeness, hERG, KCNQ1, bubonic plague, Chagas, tuberculosis, and malaria to compare different machine learning methods using FCFP6 fingerprints. These data sets represent whole cell screens, individual proteins, physicochemical properties as well as a data set with a complex end point. Our aim was to assess whether deep learning offered any improvement in testing when assessed using an array of metrics including AUC, F1 score, Cohen's kappa, Matthews correlation coefficient and others. Based on ranked normalized scores for the metrics or data sets Deep Neural Networks (DNN) ranked higher than SVM, which in turn was ranked higher than all the other machine learning methods. Visualizing these properties for training and test sets using radar type plots indicates when models are inferior or perhaps over trained. These results also suggest the need for assessing deep learning further using multiple metrics with much larger scale comparisons, prospective testing as well as assessment of different fingerprints and DNN architectures beyond those used.

Segmentation of white matter hyperintensities using convolutional neural networks with global spatial information in routine clinical brain MRI with none or mild vascular pathology.

PubMed

Rachmadi, Muhammad Febrian; Valdés-Hernández, Maria Del C; Agan, Maria Leonora Fatimah; Di Perri, Carol; Komura, Taku

2018-06-01

We propose an adaptation of a convolutional neural network (CNN) scheme proposed for segmenting brain lesions with considerable mass-effect, to segment white matter hyperintensities (WMH) characteristic of brains with none or mild vascular pathology in routine clinical brain magnetic resonance images (MRI). This is a rather difficult segmentation problem because of the small area (i.e., volume) of the WMH and their similarity to non-pathological brain tissue. We investigate the effectiveness of the 2D CNN scheme by comparing its performance against those obtained from another deep learning approach: Deep Boltzmann Machine (DBM), two conventional machine learning approaches: Support Vector Machine (SVM) and Random Forest (RF), and a public toolbox: Lesion Segmentation Tool (LST), all reported to be useful for segmenting WMH in MRI. We also introduce a way to incorporate spatial information in convolution level of CNN for WMH segmentation named global spatial information (GSI). Analysis of covariance corroborated known associations between WMH progression, as assessed by all methods evaluated, and demographic and clinical data. Deep learning algorithms outperform conventional machine learning algorithms by excluding MRI artefacts and pathologies that appear similar to WMH. Our proposed approach of incorporating GSI also successfully helped CNN to achieve better automatic WMH segmentation regardless of network's settings tested. The mean Dice Similarity Coefficient (DSC) values for LST-LGA, SVM, RF, DBM, CNN and CNN-GSI were 0.2963, 0.1194, 0.1633, 0.3264, 0.5359 and 5389 respectively. Crown Copyright © 2018. Published by Elsevier Ltd. All rights reserved.

Volumetric brain magnetic resonance imaging predicts functioning in bipolar disorder: A machine learning approach.

PubMed

Sartori, Juliana M; Reckziegel, Ramiro; Passos, Ives Cavalcante; Czepielewski, Leticia S; Fijtman, Adam; Sodré, Leonardo A; Massuda, Raffael; Goi, Pedro D; Vianna-Sulzbach, Miréia; Cardoso, Taiane de Azevedo; Kapczinski, Flávio; Mwangi, Benson; Gama, Clarissa S

2018-08-01

Neuroimaging studies have been steadily explored in Bipolar Disorder (BD) in the last decades. Neuroanatomical changes tend to be more pronounced in patients with repeated episodes. Although the role of such changes in cognition and memory is well established, daily-life functioning impairments bulge among the consequences of the proposed progression. The objective of this study was to analyze MRI volumetric modifications in BD and healthy controls (HC) as possible predictors of daily-life functioning through a machine learning approach. Ninety-four participants (35 DSM-IV BD type I and 59 HC) underwent clinical and functioning assessments, and structural MRI. Functioning was assessed using the Functioning Assessment Short Test (FAST). The machine learning analysis was used to identify possible candidates of regional brain volumes that could predict functioning status, through a support vector regression algorithm. Patients with BD and HC did not differ in age, education and marital status. There were significant differences between groups in gender, BMI, FAST score, and employment status. There was significant correlation between observed and predicted FAST score for patients with BD, but not for controls. According to the model, the brain structures volumes that could predict FAST scores were: left superior frontal cortex, left rostral medial frontal cortex, right white matter total volume and right lateral ventricle volume. The machine learning approach demonstrated that brain volume changes in MRI were predictors of FAST score in patients with BD and could identify specific brain areas related to functioning impairment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Revealing Alzheimer's disease genes spectrum in the whole-genome by machine learning.

PubMed

Huang, Xiaoyan; Liu, Hankui; Li, Xinming; Guan, Liping; Li, Jiankang; Tellier, Laurent Christian Asker M; Yang, Huanming; Wang, Jian; Zhang, Jianguo

2018-01-10

Alzheimer's disease (AD) is an important, progressive neurodegenerative disease, with a complex genetic architecture. A key goal of biomedical research is to seek out disease risk genes, and to elucidate the function of these risk genes in the development of disease. For this purpose, expanding the AD-associated gene set is necessary. In past research, the prediction methods for AD related genes has been limited in their exploration of the target genome regions. We here present a genome-wide method for AD candidate genes predictions. We present a machine learning approach (SVM), based upon integrating gene expression data with human brain-specific gene network data, to discover the full spectrum of AD genes across the whole genome. We classified AD candidate genes with an accuracy and the area under the receiver operating characteristic (ROC) curve of 84.56% and 94%. Our approach provides a supplement for the spectrum of AD-associated genes extracted from more than 20,000 genes in a genome wide scale. In this study, we have elucidated the whole-genome spectrum of AD, using a machine learning approach. Through this method, we expect for the candidate gene catalogue to provide a more comprehensive annotation of AD for researchers.

Training Scalable Restricted Boltzmann Machines Using a Quantum Annealer

NASA Astrophysics Data System (ADS)

Kumar, V.; Bass, G.; Dulny, J., III

2016-12-01

Machine learning and the optimization involved therein is of critical importance for commercial and military applications. Due to the computational complexity of many-variable optimization, the conventional approach is to employ meta-heuristic techniques to find suboptimal solutions. Quantum Annealing (QA) hardware offers a completely novel approach with the potential to obtain significantly better solutions with large speed-ups compared to traditional computing. In this presentation, we describe our development of new machine learning algorithms tailored for QA hardware. We are training restricted Boltzmann machines (RBMs) using QA hardware on large, high-dimensional commercial datasets. Traditional optimization heuristics such as contrastive divergence and other closely related techniques are slow to converge, especially on large datasets. Recent studies have indicated that QA hardware when used as a sampler provides better training performance compared to conventional approaches. Most of these studies have been limited to moderately-sized datasets due to the hardware restrictions imposed by exisitng QA devices, which make it difficult to solve real-world problems at scale. In this work we develop novel strategies to circumvent this issue. We discuss scale-up techniques such as enhanced embedding and partitioned RBMs which allow large commercial datasets to be learned using QA hardware. We present our initial results obtained by training an RBM as an autoencoder on an image dataset. The results obtained so far indicate that the convergence rates can be improved significantly by increasing RBM network connectivity. These ideas can be readily applied to generalized Boltzmann machines and we are currently investigating this in an ongoing project.

Information extraction from dynamic PS-InSAR time series using machine learning

NASA Astrophysics Data System (ADS)

van de Kerkhof, B.; Pankratius, V.; Chang, L.; van Swol, R.; Hanssen, R. F.

2017-12-01

Due to the increasing number of SAR satellites, with shorter repeat intervals and higher resolutions, SAR data volumes are exploding. Time series analyses of SAR data, i.e. Persistent Scatterer (PS) InSAR, enable the deformation monitoring of the built environment at an unprecedented scale, with hundreds of scatterers per km2, updated weekly. Potential hazards, e.g. due to failure of aging infrastructure, can be detected at an early stage. Yet, this requires the operational data processing of billions of measurement points, over hundreds of epochs, updating this data set dynamically as new data come in, and testing whether points (start to) behave in an anomalous way. Moreover, the quality of PS-InSAR measurements is ambiguous and heterogeneous, which will yield false positives and false negatives. Such analyses are numerically challenging. Here we extract relevant information from PS-InSAR time series using machine learning algorithms. We cluster (group together) time series with similar behaviour, even though they may not be spatially close, such that the results can be used for further analysis. First we reduce the dimensionality of the dataset in order to be able to cluster the data, since applying clustering techniques on high dimensional datasets often result in unsatisfying results. Our approach is to apply t-distributed Stochastic Neighbor Embedding (t-SNE), a machine learning algorithm for dimensionality reduction of high-dimensional data to a 2D or 3D map, and cluster this result using Density-Based Spatial Clustering of Applications with Noise (DBSCAN). The results show that we are able to detect and cluster time series with similar behaviour, which is the starting point for more extensive analysis into the underlying driving mechanisms. The results of the methods are compared to conventional hypothesis testing as well as a Self-Organising Map (SOM) approach. Hypothesis testing is robust and takes the stochastic nature of the observations into account, but is time consuming. Therefore, we successively apply our machine learning approach with the hypothesis testing approach in order to benefit from both the reduced computation time of the machine learning approach as from the robust quality metrics of hypothesis testing. We acknowledge support from NASA AISTNNX15AG84G (PI V. Pankratius)

A machine learning approach to the accurate prediction of monitor units for a compact proton machine.

PubMed

Sun, Baozhou; Lam, Dao; Yang, Deshan; Grantham, Kevin; Zhang, Tiezhi; Mutic, Sasa; Zhao, Tianyu

2018-05-01

Clinical treatment planning systems for proton therapy currently do not calculate monitor units (MUs) in passive scatter proton therapy due to the complexity of the beam delivery systems. Physical phantom measurements are commonly employed to determine the field-specific output factors (OFs) but are often subject to limited machine time, measurement uncertainties and intensive labor. In this study, a machine learning-based approach was developed to predict output (cGy/MU) and derive MUs, incorporating the dependencies on gantry angle and field size for a single-room proton therapy system. The goal of this study was to develop a secondary check tool for OF measurements and eventually eliminate patient-specific OF measurements. The OFs of 1754 fields previously measured in a water phantom with calibrated ionization chambers and electrometers for patient-specific fields with various range and modulation width combinations for 23 options were included in this study. The training data sets for machine learning models in three different methods (Random Forest, XGBoost and Cubist) included 1431 (~81%) OFs. Ten-fold cross-validation was used to prevent "overfitting" and to validate each model. The remaining 323 (~19%) OFs were used to test the trained models. The difference between the measured and predicted values from machine learning models was analyzed. Model prediction accuracy was also compared with that of the semi-empirical model developed by Kooy (Phys. Med. Biol. 50, 2005). Additionally, gantry angle dependence of OFs was measured for three groups of options categorized on the selection of the second scatters. Field size dependence of OFs was investigated for the measurements with and without patient-specific apertures. All three machine learning methods showed higher accuracy than the semi-empirical model which shows considerably large discrepancy of up to 7.7% for the treatment fields with full range and full modulation width. The Cubist-based solution outperformed all other models (P < 0.001) with the mean absolute discrepancy of 0.62% and maximum discrepancy of 3.17% between the measured and predicted OFs. The OFs showed a small dependence on gantry angle for small and deep options while they were constant for large options. The OF decreased by 3%-4% as the field radius was reduced to 2.5 cm. Machine learning methods can be used to predict OF for double-scatter proton machines with greater prediction accuracy than the most popular semi-empirical prediction model. By incorporating the gantry angle dependence and field size dependence, the machine learning-based methods can be used for a sanity check of OF measurements and bears the potential to eliminate the time-consuming patient-specific OF measurements. © 2018 American Association of Physicists in Medicine.

Interpreting linear support vector machine models with heat map molecule coloring

PubMed Central

2011-01-01

Background Model-based virtual screening plays an important role in the early drug discovery stage. The outcomes of high-throughput screenings are a valuable source for machine learning algorithms to infer such models. Besides a strong performance, the interpretability of a machine learning model is a desired property to guide the optimization of a compound in later drug discovery stages. Linear support vector machines showed to have a convincing performance on large-scale data sets. The goal of this study is to present a heat map molecule coloring technique to interpret linear support vector machine models. Based on the weights of a linear model, the visualization approach colors each atom and bond of a compound according to its importance for activity. Results We evaluated our approach on a toxicity data set, a chromosome aberration data set, and the maximum unbiased validation data sets. The experiments show that our method sensibly visualizes structure-property and structure-activity relationships of a linear support vector machine model. The coloring of ligands in the binding pocket of several crystal structures of a maximum unbiased validation data set target indicates that our approach assists to determine the correct ligand orientation in the binding pocket. Additionally, the heat map coloring enables the identification of substructures important for the binding of an inhibitor. Conclusions In combination with heat map coloring, linear support vector machine models can help to guide the modification of a compound in later stages of drug discovery. Particularly substructures identified as important by our method might be a starting point for optimization of a lead compound. The heat map coloring should be considered as complementary to structure based modeling approaches. As such, it helps to get a better understanding of the binding mode of an inhibitor. PMID:21439031

The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction

PubMed Central

Peng, Jiangjun; Leung, Yee; Leung, Kwong-Sak; Wong, Man-Hon; Lu, Gang; Ballester, Pedro J.

2018-01-01

It has recently been claimed that the outstanding performance of machine-learning scoring functions (SFs) is exclusively due to the presence of training complexes with highly similar proteins to those in the test set. Here, we revisit this question using 24 similarity-based training sets, a widely used test set, and four SFs. Three of these SFs employ machine learning instead of the classical linear regression approach of the fourth SF (X-Score which has the best test set performance out of 16 classical SFs). We have found that random forest (RF)-based RF-Score-v3 outperforms X-Score even when 68% of the most similar proteins are removed from the training set. In addition, unlike X-Score, RF-Score-v3 is able to keep learning with an increasing training set size, becoming substantially more predictive than X-Score when the full 1105 complexes are used for training. These results show that machine-learning SFs owe a substantial part of their performance to training on complexes with dissimilar proteins to those in the test set, against what has been previously concluded using the same data. Given that a growing amount of structural and interaction data will be available from academic and industrial sources, this performance gap between machine-learning SFs and classical SFs is expected to enlarge in the future. PMID:29538331

The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.

PubMed

Li, Hongjian; Peng, Jiangjun; Leung, Yee; Leung, Kwong-Sak; Wong, Man-Hon; Lu, Gang; Ballester, Pedro J

2018-03-14

It has recently been claimed that the outstanding performance of machine-learning scoring functions (SFs) is exclusively due to the presence of training complexes with highly similar proteins to those in the test set. Here, we revisit this question using 24 similarity-based training sets, a widely used test set, and four SFs. Three of these SFs employ machine learning instead of the classical linear regression approach of the fourth SF (X-Score which has the best test set performance out of 16 classical SFs). We have found that random forest (RF)-based RF-Score-v3 outperforms X-Score even when 68% of the most similar proteins are removed from the training set. In addition, unlike X-Score, RF-Score-v3 is able to keep learning with an increasing training set size, becoming substantially more predictive than X-Score when the full 1105 complexes are used for training. These results show that machine-learning SFs owe a substantial part of their performance to training on complexes with dissimilar proteins to those in the test set, against what has been previously concluded using the same data. Given that a growing amount of structural and interaction data will be available from academic and industrial sources, this performance gap between machine-learning SFs and classical SFs is expected to enlarge in the future.

An Analysis of the Nonlinear Spectral Mixing of Didymium and Soda-Lime Glass Beads Using Hyperspectral Imagery (HSI) Microscopy

DTIC Science & Technology

2014-05-01

2001). Learning with Kernels: Support Vector Machines , Regularization, Optimization, and Beyond. The MIT Press, Cambridge, MA, 644 p. [26] Banerjee...A., Burlina, P., and Broadwater, J., (2007). A Machine Learning Approach for finding hyperspectral endmembers. Proceedings of the IEEE International... lime glass beads using hyperspectral imagery (HSI) microscopy Ronald G. Resmini1*, Robert S. Rand2, David W. Allen3, and Christopher J. Deloye1

A Generalized Approach to Soil Strength Prediction With Machine Learning Methods

DTIC Science & Technology

2006-07-01

Machine Learning Methods” Peter M. Semen Master of Science Committee Susan P. McGrath, Ph.D. (Chair) Laura R. Ray, Ph.D. Sally A. Shoop ...to participate and provide valuable input, despite a heavy workload. And to Dr. Sally Shoop who championed the work throughout and had the...would also like to thank Dr. Shoop and Dr. Charles Ryerson for their careful oversight of the Opportune Landing Site program and making sure that

Brainstorming: weighted voting prediction of inhibitors for protein targets.

PubMed

Plewczynski, Dariusz

2011-09-01

The "Brainstorming" approach presented in this paper is a weighted voting method that can improve the quality of predictions generated by several machine learning (ML) methods. First, an ensemble of heterogeneous ML algorithms is trained on available experimental data, then all solutions are gathered and a consensus is built between them. The final prediction is performed using a voting procedure, whereby the vote of each method is weighted according to a quality coefficient calculated using multivariable linear regression (MLR). The MLR optimization procedure is very fast, therefore no additional computational cost is introduced by using this jury approach. Here, brainstorming is applied to selecting actives from large collections of compounds relating to five diverse biological targets of medicinal interest, namely HIV-reverse transcriptase, cyclooxygenase-2, dihydrofolate reductase, estrogen receptor, and thrombin. The MDL Drug Data Report (MDDR) database was used for selecting known inhibitors for these protein targets, and experimental data was then used to train a set of machine learning methods. The benchmark dataset (available at http://bio.icm.edu.pl/∼darman/chemoinfo/benchmark.tar.gz ) can be used for further testing of various clustering and machine learning methods when predicting the biological activity of compounds. Depending on the protein target, the overall recall value is raised by at least 20% in comparison to any single machine learning method (including ensemble methods like random forest) and unweighted simple majority voting procedures.

A cooperative approach among methods for photometric redshifts estimation: an application to KiDS data

NASA Astrophysics Data System (ADS)

Cavuoti, S.; Tortora, C.; Brescia, M.; Longo, G.; Radovich, M.; Napolitano, N. R.; Amaro, V.; Vellucci, C.; La Barbera, F.; Getman, F.; Grado, A.

2017-04-01

Photometric redshifts (photo-z) are fundamental in galaxy surveys to address different topics, from gravitational lensing and dark matter distribution to galaxy evolution. The Kilo Degree Survey (KiDS), I.e. the European Southern Observatory (ESO) public survey on the VLT Survey Telescope (VST), provides the unprecedented opportunity to exploit a large galaxy data set with an exceptional image quality and depth in the optical wavebands. Using a KiDS subset of about 25000 galaxies with measured spectroscopic redshifts, we have derived photo-z using (I) three different empirical methods based on supervised machine learning; (II) the Bayesian photometric redshift model (or BPZ); and (III) a classical spectral energy distribution (SED) template fitting procedure (LE PHARE). We confirm that, in the regions of the photometric parameter space properly sampled by the spectroscopic templates, machine learning methods provide better redshift estimates, with a lower scatter and a smaller fraction of outliers. SED fitting techniques, however, provide useful information on the galaxy spectral type, which can be effectively used to constrain systematic errors and to better characterize potential catastrophic outliers. Such classification is then used to specialize the training of regression machine learning models, by demonstrating that a hybrid approach, involving SED fitting and machine learning in a single collaborative framework, can be effectively used to improve the accuracy of photo-z estimates.

Two Machine Learning Approaches for Short-Term Wind Speed Time-Series Prediction.

PubMed

Ak, Ronay; Fink, Olga; Zio, Enrico

2016-08-01

The increasing liberalization of European electricity markets, the growing proportion of intermittent renewable energy being fed into the energy grids, and also new challenges in the patterns of energy consumption (such as electric mobility) require flexible and intelligent power grids capable of providing efficient, reliable, economical, and sustainable energy production and distribution. From the supplier side, particularly, the integration of renewable energy sources (e.g., wind and solar) into the grid imposes an engineering and economic challenge because of the limited ability to control and dispatch these energy sources due to their intermittent characteristics. Time-series prediction of wind speed for wind power production is a particularly important and challenging task, wherein prediction intervals (PIs) are preferable results of the prediction, rather than point estimates, because they provide information on the confidence in the prediction. In this paper, two different machine learning approaches to assess PIs of time-series predictions are considered and compared: 1) multilayer perceptron neural networks trained with a multiobjective genetic algorithm and 2) extreme learning machines combined with the nearest neighbors approach. The proposed approaches are applied for short-term wind speed prediction from a real data set of hourly wind speed measurements for the region of Regina in Saskatchewan, Canada. Both approaches demonstrate good prediction precision and provide complementary advantages with respect to different evaluation criteria.

As above, so below? Towards understanding inverse models in BCI

NASA Astrophysics Data System (ADS)

Lindgren, Jussi T.

2018-02-01

Objective. In brain-computer interfaces (BCI), measurements of the user’s brain activity are classified into commands for the computer. With EEG-based BCIs, the origins of the classified phenomena are often considered to be spatially localized in the cortical volume and mixed in the EEG. We investigate if more accurate BCIs can be obtained by reconstructing the source activities in the volume. Approach. We contrast the physiology-driven source reconstruction with data-driven representations obtained by statistical machine learning. We explain these approaches in a common linear dictionary framework and review the different ways to obtain the dictionary parameters. We consider the effect of source reconstruction on some major difficulties in BCI classification, namely information loss, feature selection and nonstationarity of the EEG. Main results. Our analysis suggests that the approaches differ mainly in their parameter estimation. Physiological source reconstruction may thus be expected to improve BCI accuracy if machine learning is not used or where it produces less optimal parameters. We argue that the considered difficulties of surface EEG classification can remain in the reconstructed volume and that data-driven techniques are still necessary. Finally, we provide some suggestions for comparing approaches. Significance. The present work illustrates the relationships between source reconstruction and machine learning-based approaches for EEG data representation. The provided analysis and discussion should help in understanding, applying, comparing and improving such techniques in the future.

Prediction of hot spot residues at protein-protein interfaces by combining machine learning and energy-based methods.

PubMed

Lise, Stefano; Archambeau, Cedric; Pontil, Massimiliano; Jones, David T

2009-10-30

Alanine scanning mutagenesis is a powerful experimental methodology for investigating the structural and energetic characteristics of protein complexes. Individual amino-acids are systematically mutated to alanine and changes in free energy of binding (DeltaDeltaG) measured. Several experiments have shown that protein-protein interactions are critically dependent on just a few residues ("hot spots") at the interface. Hot spots make a dominant contribution to the free energy of binding and if mutated they can disrupt the interaction. As mutagenesis studies require significant experimental efforts, there is a need for accurate and reliable computational methods. Such methods would also add to our understanding of the determinants of affinity and specificity in protein-protein recognition. We present a novel computational strategy to identify hot spot residues, given the structure of a complex. We consider the basic energetic terms that contribute to hot spot interactions, i.e. van der Waals potentials, solvation energy, hydrogen bonds and Coulomb electrostatics. We treat them as input features and use machine learning algorithms such as Support Vector Machines and Gaussian Processes to optimally combine and integrate them, based on a set of training examples of alanine mutations. We show that our approach is effective in predicting hot spots and it compares favourably to other available methods. In particular we find the best performances using Transductive Support Vector Machines, a semi-supervised learning scheme. When hot spots are defined as those residues for which DeltaDeltaG >or= 2 kcal/mol, our method achieves a precision and a recall respectively of 56% and 65%. We have developed an hybrid scheme in which energy terms are used as input features of machine learning models. This strategy combines the strengths of machine learning and energy-based methods. Although so far these two types of approaches have mainly been applied separately to biomolecular problems, the results of our investigation indicate that there are substantial benefits to be gained by their integration.

Differential spatial activity patterns of acupuncture by a machine learning based analysis

NASA Astrophysics Data System (ADS)

You, Youbo; Bai, Lijun; Xue, Ting; Zhong, Chongguang; Liu, Zhenyu; Tian, Jie

2011-03-01

Acupoint specificity, lying at the core of the Traditional Chinese Medicine, underlies the theoretical basis of acupuncture application. However, recent studies have reported that acupuncture stimulation at nonacupoint and acupoint can both evoke similar signal intensity decreases in multiple regions. And these regions were spatially overlapped. We used a machine learning based Support Vector Machine (SVM) approach to elucidate the specific neural response pattern induced by acupuncture stimulation. Group analysis demonstrated that stimulation at two different acupoints (belong to the same nerve segment but different meridians) could elicit distinct neural response patterns. Our findings may provide evidence for acupoint specificity.

Can machine-learning improve cardiovascular risk prediction using routine clinical data?

PubMed Central

Kai, Joe; Garibaldi, Jonathan M.; Qureshi, Nadeem

2017-01-01

Background Current approaches to predict cardiovascular risk fail to identify many people who would benefit from preventive treatment, while others receive unnecessary intervention. Machine-learning offers opportunity to improve accuracy by exploiting complex interactions between risk factors. We assessed whether machine-learning can improve cardiovascular risk prediction. Methods Prospective cohort study using routine clinical data of 378,256 patients from UK family practices, free from cardiovascular disease at outset. Four machine-learning algorithms (random forest, logistic regression, gradient boosting machines, neural networks) were compared to an established algorithm (American College of Cardiology guidelines) to predict first cardiovascular event over 10-years. Predictive accuracy was assessed by area under the ‘receiver operating curve’ (AUC); and sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV) to predict 7.5% cardiovascular risk (threshold for initiating statins). Findings 24,970 incident cardiovascular events (6.6%) occurred. Compared to the established risk prediction algorithm (AUC 0.728, 95% CI 0.723–0.735), machine-learning algorithms improved prediction: random forest +1.7% (AUC 0.745, 95% CI 0.739–0.750), logistic regression +3.2% (AUC 0.760, 95% CI 0.755–0.766), gradient boosting +3.3% (AUC 0.761, 95% CI 0.755–0.766), neural networks +3.6% (AUC 0.764, 95% CI 0.759–0.769). The highest achieving (neural networks) algorithm predicted 4,998/7,404 cases (sensitivity 67.5%, PPV 18.4%) and 53,458/75,585 non-cases (specificity 70.7%, NPV 95.7%), correctly predicting 355 (+7.6%) more patients who developed cardiovascular disease compared to the established algorithm. Conclusions Machine-learning significantly improves accuracy of cardiovascular risk prediction, increasing the number of patients identified who could benefit from preventive treatment, while avoiding unnecessary treatment of others. PMID:28376093

Can machine-learning improve cardiovascular risk prediction using routine clinical data?

PubMed

Weng, Stephen F; Reps, Jenna; Kai, Joe; Garibaldi, Jonathan M; Qureshi, Nadeem

2017-01-01

Current approaches to predict cardiovascular risk fail to identify many people who would benefit from preventive treatment, while others receive unnecessary intervention. Machine-learning offers opportunity to improve accuracy by exploiting complex interactions between risk factors. We assessed whether machine-learning can improve cardiovascular risk prediction. Prospective cohort study using routine clinical data of 378,256 patients from UK family practices, free from cardiovascular disease at outset. Four machine-learning algorithms (random forest, logistic regression, gradient boosting machines, neural networks) were compared to an established algorithm (American College of Cardiology guidelines) to predict first cardiovascular event over 10-years. Predictive accuracy was assessed by area under the 'receiver operating curve' (AUC); and sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV) to predict 7.5% cardiovascular risk (threshold for initiating statins). 24,970 incident cardiovascular events (6.6%) occurred. Compared to the established risk prediction algorithm (AUC 0.728, 95% CI 0.723-0.735), machine-learning algorithms improved prediction: random forest +1.7% (AUC 0.745, 95% CI 0.739-0.750), logistic regression +3.2% (AUC 0.760, 95% CI 0.755-0.766), gradient boosting +3.3% (AUC 0.761, 95% CI 0.755-0.766), neural networks +3.6% (AUC 0.764, 95% CI 0.759-0.769). The highest achieving (neural networks) algorithm predicted 4,998/7,404 cases (sensitivity 67.5%, PPV 18.4%) and 53,458/75,585 non-cases (specificity 70.7%, NPV 95.7%), correctly predicting 355 (+7.6%) more patients who developed cardiovascular disease compared to the established algorithm. Machine-learning significantly improves accuracy of cardiovascular risk prediction, increasing the number of patients identified who could benefit from preventive treatment, while avoiding unnecessary treatment of others.

Candidate gene prioritization by network analysis of differential expression using machine learning approaches

PubMed Central

2010-01-01

Background Discovering novel disease genes is still challenging for diseases for which no prior knowledge - such as known disease genes or disease-related pathways - is available. Performing genetic studies frequently results in large lists of candidate genes of which only few can be followed up for further investigation. We have recently developed a computational method for constitutional genetic disorders that identifies the most promising candidate genes by replacing prior knowledge by experimental data of differential gene expression between affected and healthy individuals. To improve the performance of our prioritization strategy, we have extended our previous work by applying different machine learning approaches that identify promising candidate genes by determining whether a gene is surrounded by highly differentially expressed genes in a functional association or protein-protein interaction network. Results We have proposed three strategies scoring disease candidate genes relying on network-based machine learning approaches, such as kernel ridge regression, heat kernel, and Arnoldi kernel approximation. For comparison purposes, a local measure based on the expression of the direct neighbors is also computed. We have benchmarked these strategies on 40 publicly available knockout experiments in mice, and performance was assessed against results obtained using a standard procedure in genetics that ranks candidate genes based solely on their differential expression levels (Simple Expression Ranking). Our results showed that our four strategies could outperform this standard procedure and that the best results were obtained using the Heat Kernel Diffusion Ranking leading to an average ranking position of 8 out of 100 genes, an AUC value of 92.3% and an error reduction of 52.8% relative to the standard procedure approach which ranked the knockout gene on average at position 17 with an AUC value of 83.7%. Conclusion In this study we could identify promising candidate genes using network based machine learning approaches even if no knowledge is available about the disease or phenotype. PMID:20840752

Intelligent path loss prediction engine design using machine learning in the urban outdoor environment

NASA Astrophysics Data System (ADS)

Wang, Ruichen; Lu, Jingyang; Xu, Yiran; Shen, Dan; Chen, Genshe; Pham, Khanh; Blasch, Erik

2018-05-01

Due to the progressive expansion of public mobile networks and the dramatic growth of the number of wireless users in recent years, researchers are motivated to study the radio propagation in urban environments and develop reliable and fast path loss prediction models. During last decades, different types of propagation models are developed for urban scenario path loss predictions such as the Hata model and the COST 231 model. In this paper, the path loss prediction model is thoroughly investigated using machine learning approaches. Different non-linear feature selection methods are deployed and investigated to reduce the computational complexity. The simulation results are provided to demonstratethe validity of the machine learning based path loss prediction engine, which can correctly determine the signal propagation in a wireless urban setting.

AutoQSAR: an automated machine learning tool for best-practice quantitative structure-activity relationship modeling.

PubMed

Dixon, Steven L; Duan, Jianxin; Smith, Ethan; Von Bargen, Christopher D; Sherman, Woody; Repasky, Matthew P

2016-10-01

We introduce AutoQSAR, an automated machine-learning application to build, validate and deploy quantitative structure-activity relationship (QSAR) models. The process of descriptor generation, feature selection and the creation of a large number of QSAR models has been automated into a single workflow within AutoQSAR. The models are built using a variety of machine-learning methods, and each model is scored using a novel approach. Effectiveness of the method is demonstrated through comparison with literature QSAR models using identical datasets for six end points: protein-ligand binding affinity, solubility, blood-brain barrier permeability, carcinogenicity, mutagenicity and bioaccumulation in fish. AutoQSAR demonstrates similar or better predictive performance as compared with published results for four of the six endpoints while requiring minimal human time and expertise.

Comparing deep neural network and other machine learning algorithms for stroke prediction in a large-scale population-based electronic medical claims database.

PubMed

Chen-Ying Hung; Wei-Chen Chen; Po-Tsun Lai; Ching-Heng Lin; Chi-Chun Lee

2017-07-01

Electronic medical claims (EMCs) can be used to accurately predict the occurrence of a variety of diseases, which can contribute to precise medical interventions. While there is a growing interest in the application of machine learning (ML) techniques to address clinical problems, the use of deep-learning in healthcare have just gained attention recently. Deep learning, such as deep neural network (DNN), has achieved impressive results in the areas of speech recognition, computer vision, and natural language processing in recent years. However, deep learning is often difficult to comprehend due to the complexities in its framework. Furthermore, this method has not yet been demonstrated to achieve a better performance comparing to other conventional ML algorithms in disease prediction tasks using EMCs. In this study, we utilize a large population-based EMC database of around 800,000 patients to compare DNN with three other ML approaches for predicting 5-year stroke occurrence. The result shows that DNN and gradient boosting decision tree (GBDT) can result in similarly high prediction accuracies that are better compared to logistic regression (LR) and support vector machine (SVM) approaches. Meanwhile, DNN achieves optimal results by using lesser amounts of patient data when comparing to GBDT method.

Geologic Carbon Sequestration Leakage Detection: A Physics-Guided Machine Learning Approach

NASA Astrophysics Data System (ADS)

Lin, Y.; Harp, D. R.; Chen, B.; Pawar, R.

2017-12-01

One of the risks of large-scale geologic carbon sequestration is the potential migration of fluids out of the storage formations. Accurate and fast detection of this fluids migration is not only important but also challenging, due to the large subsurface uncertainty and complex governing physics. Traditional leakage detection and monitoring techniques rely on geophysical observations including pressure. However, the resulting accuracy of these methods is limited because of indirect information they provide requiring expert interpretation, therefore yielding in-accurate estimates of leakage rates and locations. In this work, we develop a novel machine-learning technique based on support vector regression to effectively and efficiently predict the leakage locations and leakage rates based on limited number of pressure observations. Compared to the conventional data-driven approaches, which can be usually seem as a "black box" procedure, we develop a physics-guided machine learning method to incorporate the governing physics into the learning procedure. To validate the performance of our proposed leakage detection method, we employ our method to both 2D and 3D synthetic subsurface models. Our novel CO2 leakage detection method has shown high detection accuracy in the example problems.

Machine learning properties of materials and molecules with entropy-regularized kernels

NASA Astrophysics Data System (ADS)

Ceriotti, Michele; Bartók, Albert; CsáNyi, GáBor; de, Sandip

Application of machine-learning methods to physics, chemistry and materials science is gaining traction as a strategy to obtain accurate predictions of the properties of matter at a fraction of the typical cost of quantum mechanical electronic structure calculations. In this endeavor, one can leverage general-purpose frameworks for supervised-learning. It is however very important that the input data - for instance the positions of atoms in a molecule or solid - is processed into a form that reflects all the underlying physical symmetries of the problem, and that possesses the regularity properties that are required by machine-learning algorithms. Here we introduce a general strategy to build a representation of this kind. We will start from existing approaches to compare local environments (basically, groups of atoms), and combine them using techniques borrowed from optimal transport theory, discussing the relation between this idea and additive energy decompositions. We will present a few examples demonstrating the potential of this approach as a tool to predict molecular and materials' properties with an accuracy on par with state-of-the-art electronic structure methods. MARVEL NCCR (Swiss National Science Foundation) and ERC StG HBMAP (European Research Council, G.A. 677013).

Machine learning-based coreference resolution of concepts in clinical documents

PubMed Central

Ware, Henry; Mullett, Charles J; El-Rawas, Oussama

2012-01-01

Objective Coreference resolution of concepts, although a very active area in the natural language processing community, has not yet been widely applied to clinical documents. Accordingly, the 2011 i2b2 competition focusing on this area is a timely and useful challenge. The objective of this research was to collate coreferent chains of concepts from a corpus of clinical documents. These concepts are in the categories of person, problems, treatments, and tests. Design A machine learning approach based on graphical models was employed to cluster coreferent concepts. Features selected were divided into domain independent and domain specific sets. Training was done with the i2b2 provided training set of 489 documents with 6949 chains. Testing was done on 322 documents. Results The learning engine, using the un-weighted average of three different measurement schemes, resulted in an F measure of 0.8423 where no domain specific features were included and 0.8483 where the feature set included both domain independent and domain specific features. Conclusion Our machine learning approach is a promising solution for recognizing coreferent concepts, which in turn is useful for practical applications such as the assembly of problem and medication lists from clinical documents. PMID:22582205

The Impact of an Inquiry Approach to Learning in a Technology-Rich Environment.

ERIC Educational Resources Information Center

Peck, Jacqueline K.; Hughes, Sharon V.

The impact of an inquiry approach on both teaching and learning in a technology-rich grade-1 classroom participating in the Cooperative Alliance for Gifted Education (CAGE) is described. CAGE is a partnership project that combines the resources of the Cleveland (Ohio) public schools, Kent State University, and International Business Machines Corp.…

Machine Learning Control For Highly Reconfigurable High-Order Systems

DTIC Science & Technology

2015-01-02

develop and flight test a Reinforcement Learning based approach for autonomous tracking of ground targets using a fixed wing Unmanned...Reinforcement Learning - based algorithms are developed for learning agents’ time dependent dynamics while also learning to control them. Three algorithms...to a wide range of engineering- based problems . Implementation of these solutions, however, is often complicated by the hysteretic, non-linear,

Recent advances in environmental data mining

NASA Astrophysics Data System (ADS)

Leuenberger, Michael; Kanevski, Mikhail

2016-04-01

Due to the large amount and complexity of data available nowadays in geo- and environmental sciences, we face the need to develop and incorporate more robust and efficient methods for their analysis, modelling and visualization. An important part of these developments deals with an elaboration and application of a contemporary and coherent methodology following the process from data collection to the justification and communication of the results. Recent fundamental progress in machine learning (ML) can considerably contribute to the development of the emerging field - environmental data science. The present research highlights and investigates the different issues that can occur when dealing with environmental data mining using cutting-edge machine learning algorithms. In particular, the main attention is paid to the description of the self-consistent methodology and two efficient algorithms - Random Forest (RF, Breiman, 2001) and Extreme Learning Machines (ELM, Huang et al., 2006), which recently gained a great popularity. Despite the fact that they are based on two different concepts, i.e. decision trees vs artificial neural networks, they both propose promising results for complex, high dimensional and non-linear data modelling. In addition, the study discusses several important issues of data driven modelling, including feature selection and uncertainties. The approach considered is accompanied by simulated and real data case studies from renewable resources assessment and natural hazards tasks. In conclusion, the current challenges and future developments in statistical environmental data learning are discussed. References - Breiman, L., 2001. Random Forests. Machine Learning 45 (1), 5-32. - Huang, G.-B., Zhu, Q.-Y., Siew, C.-K., 2006. Extreme learning machine: theory and applications. Neurocomputing 70 (1-3), 489-501. - Kanevski, M., Pozdnoukhov, A., Timonin, V., 2009. Machine Learning for Spatial Environmental Data. EPFL Press; Lausanne, Switzerland, p.392. - Leuenberger, M., Kanevski, M., 2015. Extreme Learning Machines for spatial environmental data. Computers and Geosciences 85, 64-73.

A Novel Application of Machine Learning Methods to Model Microcontroller Upset Due to Intentional Electromagnetic Interference

NASA Astrophysics Data System (ADS)

Bilalic, Rusmir

A novel application of support vector machines (SVMs), artificial neural networks (ANNs), and Gaussian processes (GPs) for machine learning (GPML) to model microcontroller unit (MCU) upset due to intentional electromagnetic interference (IEMI) is presented. In this approach, an MCU performs a counting operation (0-7) while electromagnetic interference in the form of a radio frequency (RF) pulse is direct-injected into the MCU clock line. Injection times with respect to the clock signal are the clock low, clock rising edge, clock high, and the clock falling edge periods in the clock window during which the MCU is performing initialization and executing the counting procedure. The intent is to cause disruption in the counting operation and model the probability of effect (PoE) using machine learning tools. Five experiments were executed as part of this research, each of which contained a set of 38,300 training points and 38,300 test points, for a total of 383,000 total points with the following experiment variables: injection times with respect to the clock signal, injected RF power, injected RF pulse width, and injected RF frequency. For the 191,500 training points, the average training error was 12.47%, while for the 191,500 test points the average test error was 14.85%, meaning that on average, the machine was able to predict MCU upset with an 85.15% accuracy. Leaving out the results for the worst-performing model (SVM with a linear kernel), the test prediction accuracy for the remaining machines is almost 89%. All three machine learning methods (ANNs, SVMs, and GPML) showed excellent and consistent results in their ability to model and predict the PoE on an MCU due to IEMI. The GP approach performed best during training with a 7.43% average training error, while the ANN technique was most accurate during the test with a 10.80% error.

A Cognitive Computing Approach for Classification of Complaints in the Insurance Industry

NASA Astrophysics Data System (ADS)

Forster, J.; Entrup, B.

2017-10-01

In this paper we present and evaluate a cognitive computing approach for classification of dissatisfaction and four complaint specific complaint classes in correspondence documents between insurance clients and an insurance company. A cognitive computing approach includes the combination classical natural language processing methods, machine learning algorithms and the evaluation of hypothesis. The approach combines a MaxEnt machine learning algorithm with language modelling, tf-idf and sentiment analytics to create a multi-label text classification model. The result is trained and tested with a set of 2500 original insurance communication documents written in German, which have been manually annotated by the partnering insurance company. With a F1-Score of 0.9, a reliable text classification component has been implemented and evaluated. A final outlook towards a cognitive computing insurance assistant is given in the end.

Automated analysis of high-content microscopy data with deep learning.

PubMed

Kraus, Oren Z; Grys, Ben T; Ba, Jimmy; Chong, Yolanda; Frey, Brendan J; Boone, Charles; Andrews, Brenda J

2017-04-18

Existing computational pipelines for quantitative analysis of high-content microscopy data rely on traditional machine learning approaches that fail to accurately classify more than a single dataset without substantial tuning and training, requiring extensive analysis. Here, we demonstrate that the application of deep learning to biological image data can overcome the pitfalls associated with conventional machine learning classifiers. Using a deep convolutional neural network (DeepLoc) to analyze yeast cell images, we show improved performance over traditional approaches in the automated classification of protein subcellular localization. We also demonstrate the ability of DeepLoc to classify highly divergent image sets, including images of pheromone-arrested cells with abnormal cellular morphology, as well as images generated in different genetic backgrounds and in different laboratories. We offer an open-source implementation that enables updating DeepLoc on new microscopy datasets. This study highlights deep learning as an important tool for the expedited analysis of high-content microscopy data. © 2017 The Authors. Published under the terms of the CC BY 4.0 license.

The use of machine learning for the identification of peripheral artery disease and future mortality risk.

PubMed

Ross, Elsie Gyang; Shah, Nigam H; Dalman, Ronald L; Nead, Kevin T; Cooke, John P; Leeper, Nicholas J

2016-11-01

A key aspect of the precision medicine effort is the development of informatics tools that can analyze and interpret "big data" sets in an automated and adaptive fashion while providing accurate and actionable clinical information. The aims of this study were to develop machine learning algorithms for the identification of disease and the prognostication of mortality risk and to determine whether such models perform better than classical statistical analyses. Focusing on peripheral artery disease (PAD), patient data were derived from a prospective, observational study of 1755 patients who presented for elective coronary angiography. We employed multiple supervised machine learning algorithms and used diverse clinical, demographic, imaging, and genomic information in a hypothesis-free manner to build models that could identify patients with PAD and predict future mortality. Comparison was made to standard stepwise linear regression models. Our machine-learned models outperformed stepwise logistic regression models both for the identification of patients with PAD (area under the curve, 0.87 vs 0.76, respectively; P = .03) and for the prediction of future mortality (area under the curve, 0.76 vs 0.65, respectively; P = .10). Both machine-learned models were markedly better calibrated than the stepwise logistic regression models, thus providing more accurate disease and mortality risk estimates. Machine learning approaches can produce more accurate disease classification and prediction models. These tools may prove clinically useful for the automated identification of patients with highly morbid diseases for which aggressive risk factor management can improve outcomes. Copyright © 2016 Society for Vascular Surgery. Published by Elsevier Inc. All rights reserved.

The influence of negative training set size on machine learning-based virtual screening.

PubMed

Kurczab, Rafał; Smusz, Sabina; Bojarski, Andrzej J

2014-01-01

The paper presents a thorough analysis of the influence of the number of negative training examples on the performance of machine learning methods. The impact of this rather neglected aspect of machine learning methods application was examined for sets containing a fixed number of positive and a varying number of negative examples randomly selected from the ZINC database. An increase in the ratio of positive to negative training instances was found to greatly influence most of the investigated evaluating parameters of ML methods in simulated virtual screening experiments. In a majority of cases, substantial increases in precision and MCC were observed in conjunction with some decreases in hit recall. The analysis of dynamics of those variations let us recommend an optimal composition of training data. The study was performed on several protein targets, 5 machine learning algorithms (SMO, Naïve Bayes, Ibk, J48 and Random Forest) and 2 types of molecular fingerprints (MACCS and CDK FP). The most effective classification was provided by the combination of CDK FP with SMO or Random Forest algorithms. The Naïve Bayes models appeared to be hardly sensitive to changes in the number of negative instances in the training set. In conclusion, the ratio of positive to negative training instances should be taken into account during the preparation of machine learning experiments, as it might significantly influence the performance of particular classifier. What is more, the optimization of negative training set size can be applied as a boosting-like approach in machine learning-based virtual screening.

The influence of negative training set size on machine learning-based virtual screening

PubMed Central

2014-01-01

Background The paper presents a thorough analysis of the influence of the number of negative training examples on the performance of machine learning methods. Results The impact of this rather neglected aspect of machine learning methods application was examined for sets containing a fixed number of positive and a varying number of negative examples randomly selected from the ZINC database. An increase in the ratio of positive to negative training instances was found to greatly influence most of the investigated evaluating parameters of ML methods in simulated virtual screening experiments. In a majority of cases, substantial increases in precision and MCC were observed in conjunction with some decreases in hit recall. The analysis of dynamics of those variations let us recommend an optimal composition of training data. The study was performed on several protein targets, 5 machine learning algorithms (SMO, Naïve Bayes, Ibk, J48 and Random Forest) and 2 types of molecular fingerprints (MACCS and CDK FP). The most effective classification was provided by the combination of CDK FP with SMO or Random Forest algorithms. The Naïve Bayes models appeared to be hardly sensitive to changes in the number of negative instances in the training set. Conclusions In conclusion, the ratio of positive to negative training instances should be taken into account during the preparation of machine learning experiments, as it might significantly influence the performance of particular classifier. What is more, the optimization of negative training set size can be applied as a boosting-like approach in machine learning-based virtual screening. PMID:24976867

Clustering and Candidate Motif Detection in Exosomal miRNAs by Application of Machine Learning Algorithms.

PubMed

Gaur, Pallavi; Chaturvedi, Anoop

2017-07-22

The clustering pattern and motifs give immense information about any biological data. An application of machine learning algorithms for clustering and candidate motif detection in miRNAs derived from exosomes is depicted in this paper. Recent progress in the field of exosome research and more particularly regarding exosomal miRNAs has led much bioinformatic-based research to come into existence. The information on clustering pattern and candidate motifs in miRNAs of exosomal origin would help in analyzing existing, as well as newly discovered miRNAs within exosomes. Along with obtaining clustering pattern and candidate motifs in exosomal miRNAs, this work also elaborates the usefulness of the machine learning algorithms that can be efficiently used and executed on various programming languages/platforms. Data were clustered and sequence candidate motifs were detected successfully. The results were compared and validated with some available web tools such as 'BLASTN' and 'MEME suite'. The machine learning algorithms for aforementioned objectives were applied successfully. This work elaborated utility of machine learning algorithms and language platforms to achieve the tasks of clustering and candidate motif detection in exosomal miRNAs. With the information on mentioned objectives, deeper insight would be gained for analyses of newly discovered miRNAs in exosomes which are considered to be circulating biomarkers. In addition, the execution of machine learning algorithms on various language platforms gives more flexibility to users to try multiple iterations according to their requirements. This approach can be applied to other biological data-mining tasks as well.

PredPsych: A toolbox for predictive machine learning-based approach in experimental psychology research.

PubMed

Koul, Atesh; Becchio, Cristina; Cavallo, Andrea

2017-12-12

Recent years have seen an increased interest in machine learning-based predictive methods for analyzing quantitative behavioral data in experimental psychology. While these methods can achieve relatively greater sensitivity compared to conventional univariate techniques, they still lack an established and accessible implementation. The aim of current work was to build an open-source R toolbox - "PredPsych" - that could make these methods readily available to all psychologists. PredPsych is a user-friendly, R toolbox based on machine-learning predictive algorithms. In this paper, we present the framework of PredPsych via the analysis of a recently published multiple-subject motion capture dataset. In addition, we discuss examples of possible research questions that can be addressed with the machine-learning algorithms implemented in PredPsych and cannot be easily addressed with univariate statistical analysis. We anticipate that PredPsych will be of use to researchers with limited programming experience not only in the field of psychology, but also in that of clinical neuroscience, enabling computational assessment of putative bio-behavioral markers for both prognosis and diagnosis.

Intelligent power management in a vehicular system with multiple power sources

NASA Astrophysics Data System (ADS)

Murphey, Yi L.; Chen, ZhiHang; Kiliaris, Leonidas; Masrur, M. Abul

This paper presents an optimal online power management strategy applied to a vehicular power system that contains multiple power sources and deals with largely fluctuated load requests. The optimal online power management strategy is developed using machine learning and fuzzy logic. A machine learning algorithm has been developed to learn the knowledge about minimizing power loss in a Multiple Power Sources and Loads (M_PS&LD) system. The algorithm exploits the fact that different power sources used to deliver a load request have different power losses under different vehicle states. The machine learning algorithm is developed to train an intelligent power controller, an online fuzzy power controller, FPC_MPS, that has the capability of finding combinations of power sources that minimize power losses while satisfying a given set of system and component constraints during a drive cycle. The FPC_MPS was implemented in two simulated systems, a power system of four power sources, and a vehicle system of three power sources. Experimental results show that the proposed machine learning approach combined with fuzzy control is a promising technology for intelligent vehicle power management in a M_PS&LD power system.

Support Vector Machines for Differential Prediction

PubMed Central

Kuusisto, Finn; Santos Costa, Vitor; Nassif, Houssam; Burnside, Elizabeth; Page, David; Shavlik, Jude

2015-01-01

Machine learning is continually being applied to a growing set of fields, including the social sciences, business, and medicine. Some fields present problems that are not easily addressed using standard machine learning approaches and, in particular, there is growing interest in differential prediction. In this type of task we are interested in producing a classifier that specifically characterizes a subgroup of interest by maximizing the difference in predictive performance for some outcome between subgroups in a population. We discuss adapting maximum margin classifiers for differential prediction. We first introduce multiple approaches that do not affect the key properties of maximum margin classifiers, but which also do not directly attempt to optimize a standard measure of differential prediction. We next propose a model that directly optimizes a standard measure in this field, the uplift measure. We evaluate our models on real data from two medical applications and show excellent results. PMID:26158123

Support Vector Machines for Differential Prediction.

PubMed

Kuusisto, Finn; Santos Costa, Vitor; Nassif, Houssam; Burnside, Elizabeth; Page, David; Shavlik, Jude

Machine learning is continually being applied to a growing set of fields, including the social sciences, business, and medicine. Some fields present problems that are not easily addressed using standard machine learning approaches and, in particular, there is growing interest in differential prediction . In this type of task we are interested in producing a classifier that specifically characterizes a subgroup of interest by maximizing the difference in predictive performance for some outcome between subgroups in a population. We discuss adapting maximum margin classifiers for differential prediction. We first introduce multiple approaches that do not affect the key properties of maximum margin classifiers, but which also do not directly attempt to optimize a standard measure of differential prediction. We next propose a model that directly optimizes a standard measure in this field, the uplift measure. We evaluate our models on real data from two medical applications and show excellent results.

Applications of Machine Learning to Downscaling and Verification

NASA Astrophysics Data System (ADS)

Prudden, R.

2017-12-01

Downscaling, sometimes known as super-resolution, means converting model data into a more detailed local forecast. It is a problem which could be highly amenable to machine learning approaches, provided that sufficient historical forecast data and observations are available. It is also closely linked to the subject of verification, since improving a forecast requires a way to measure that improvement. This talk will describe some early work towards downscaling Met Office ensemble forecasts, and discuss how the output may be usefully evaluated.

Machine Learning Methods for Production Cases Analysis

NASA Astrophysics Data System (ADS)

Mokrova, Nataliya V.; Mokrov, Alexander M.; Safonova, Alexandra V.; Vishnyakov, Igor V.

2018-03-01

Approach to analysis of events occurring during the production process were proposed. Described machine learning system is able to solve classification tasks related to production control and hazard identification at an early stage. Descriptors of the internal production network data were used for training and testing of applied models. k-Nearest Neighbors and Random forest methods were used to illustrate and analyze proposed solution. The quality of the developed classifiers was estimated using standard statistical metrics, such as precision, recall and accuracy.

Computer-Aided Diagnosis for Breast Ultrasound Using Computerized BI-RADS Features and Machine Learning Methods.

PubMed

Shan, Juan; Alam, S Kaisar; Garra, Brian; Zhang, Yingtao; Ahmed, Tahira

2016-04-01

This work identifies effective computable features from the Breast Imaging Reporting and Data System (BI-RADS), to develop a computer-aided diagnosis (CAD) system for breast ultrasound. Computerized features corresponding to ultrasound BI-RADs categories were designed and tested using a database of 283 pathology-proven benign and malignant lesions. Features were selected based on classification performance using a "bottom-up" approach for different machine learning methods, including decision tree, artificial neural network, random forest and support vector machine. Using 10-fold cross-validation on the database of 283 cases, the highest area under the receiver operating characteristic (ROC) curve (AUC) was 0.84 from a support vector machine with 77.7% overall accuracy; the highest overall accuracy, 78.5%, was from a random forest with the AUC 0.83. Lesion margin and orientation were optimum features common to all of the different machine learning methods. These features can be used in CAD systems to help distinguish benign from worrisome lesions. Copyright © 2016 World Federation for Ultrasound in Medicine & Biology. All rights reserved.

Online Sequential Projection Vector Machine with Adaptive Data Mean Update

PubMed Central

Chen, Lin; Jia, Ji-Ting; Zhang, Qiong; Deng, Wan-Yu; Wei, Wei

2016-01-01

We propose a simple online learning algorithm especial for high-dimensional data. The algorithm is referred to as online sequential projection vector machine (OSPVM) which derives from projection vector machine and can learn from data in one-by-one or chunk-by-chunk mode. In OSPVM, data centering, dimension reduction, and neural network training are integrated seamlessly. In particular, the model parameters including (1) the projection vectors for dimension reduction, (2) the input weights, biases, and output weights, and (3) the number of hidden nodes can be updated simultaneously. Moreover, only one parameter, the number of hidden nodes, needs to be determined manually, and this makes it easy for use in real applications. Performance comparison was made on various high-dimensional classification problems for OSPVM against other fast online algorithms including budgeted stochastic gradient descent (BSGD) approach, adaptive multihyperplane machine (AMM), primal estimated subgradient solver (Pegasos), online sequential extreme learning machine (OSELM), and SVD + OSELM (feature selection based on SVD is performed before OSELM). The results obtained demonstrated the superior generalization performance and efficiency of the OSPVM. PMID:27143958

Online Sequential Projection Vector Machine with Adaptive Data Mean Update.

PubMed

Chen, Lin; Jia, Ji-Ting; Zhang, Qiong; Deng, Wan-Yu; Wei, Wei

2016-01-01

We propose a simple online learning algorithm especial for high-dimensional data. The algorithm is referred to as online sequential projection vector machine (OSPVM) which derives from projection vector machine and can learn from data in one-by-one or chunk-by-chunk mode. In OSPVM, data centering, dimension reduction, and neural network training are integrated seamlessly. In particular, the model parameters including (1) the projection vectors for dimension reduction, (2) the input weights, biases, and output weights, and (3) the number of hidden nodes can be updated simultaneously. Moreover, only one parameter, the number of hidden nodes, needs to be determined manually, and this makes it easy for use in real applications. Performance comparison was made on various high-dimensional classification problems for OSPVM against other fast online algorithms including budgeted stochastic gradient descent (BSGD) approach, adaptive multihyperplane machine (AMM), primal estimated subgradient solver (Pegasos), online sequential extreme learning machine (OSELM), and SVD + OSELM (feature selection based on SVD is performed before OSELM). The results obtained demonstrated the superior generalization performance and efficiency of the OSPVM.

A Naive Bayes machine learning approach to risk prediction using censored, time-to-event data.

PubMed

Wolfson, Julian; Bandyopadhyay, Sunayan; Elidrisi, Mohamed; Vazquez-Benitez, Gabriela; Vock, David M; Musgrove, Donald; Adomavicius, Gediminas; Johnson, Paul E; O'Connor, Patrick J

2015-09-20

Predicting an individual's risk of experiencing a future clinical outcome is a statistical task with important consequences for both practicing clinicians and public health experts. Modern observational databases such as electronic health records provide an alternative to the longitudinal cohort studies traditionally used to construct risk models, bringing with them both opportunities and challenges. Large sample sizes and detailed covariate histories enable the use of sophisticated machine learning techniques to uncover complex associations and interactions, but observational databases are often 'messy', with high levels of missing data and incomplete patient follow-up. In this paper, we propose an adaptation of the well-known Naive Bayes machine learning approach to time-to-event outcomes subject to censoring. We compare the predictive performance of our method with the Cox proportional hazards model which is commonly used for risk prediction in healthcare populations, and illustrate its application to prediction of cardiovascular risk using an electronic health record dataset from a large Midwest integrated healthcare system. Copyright © 2015 John Wiley & Sons, Ltd.

An illustration of new methods in machine condition monitoring, Part I: stochastic resonance

NASA Astrophysics Data System (ADS)

Worden, K.; Antoniadou, I.; Marchesiello, S.; Mba, C.; Garibaldi, L.

2017-05-01

There have been many recent developments in the application of data-based methods to machine condition monitoring. A powerful methodology based on machine learning has emerged, where diagnostics are based on a two-step procedure: extraction of damage-sensitive features, followed by unsupervised learning (novelty detection) or supervised learning (classification). The objective of the current pair of papers is simply to illustrate one state-of-the-art procedure for each step, using synthetic data representative of reality in terms of size and complexity. The first paper in the pair will deal with feature extraction. Although some papers have appeared in the recent past considering stochastic resonance as a means of amplifying damage information in signals, they have largely relied on ad hoc specifications of the resonator used. In contrast, the current paper will adopt a principled optimisation-based approach to the resonator design. The paper will also show that a discrete dynamical system can provide all the benefits of a continuous system, but also provide a considerable speed-up in terms of simulation time in order to facilitate the optimisation approach.

Machine learning Z2 quantum spin liquids with quasiparticle statistics

NASA Astrophysics Data System (ADS)

Zhang, Yi; Melko, Roger G.; Kim, Eun-Ah

2017-12-01

After decades of progress and effort, obtaining a phase diagram for a strongly correlated topological system still remains a challenge. Although in principle one could turn to Wilson loops and long-range entanglement, evaluating these nonlocal observables at many points in phase space can be prohibitively costly. With growing excitement over topological quantum computation comes the need for an efficient approach for obtaining topological phase diagrams. Here we turn to machine learning using quantum loop topography (QLT), a notion we have recently introduced. Specifically, we propose a construction of QLT that is sensitive to quasiparticle statistics. We then use mutual statistics between the spinons and visons to detect a Z2 quantum spin liquid in a multiparameter phase space. We successfully obtain the quantum phase boundary between the topological and trivial phases using a simple feed-forward neural network. Furthermore, we demonstrate advantages of our approach for the evaluation of phase diagrams relating to speed and storage. Such statistics-based machine learning of topological phases opens new efficient routes to studying topological phase diagrams in strongly correlated systems.

Feature selection and classification of protein-protein complexes based on their binding affinities using machine learning approaches.

PubMed

Yugandhar, K; Gromiha, M Michael

2014-09-01

Protein-protein interactions are intrinsic to virtually every cellular process. Predicting the binding affinity of protein-protein complexes is one of the challenging problems in computational and molecular biology. In this work, we related sequence features of protein-protein complexes with their binding affinities using machine learning approaches. We set up a database of 185 protein-protein complexes for which the interacting pairs are heterodimers and their experimental binding affinities are available. On the other hand, we have developed a set of 610 features from the sequences of protein complexes and utilized Ranker search method, which is the combination of Attribute evaluator and Ranker method for selecting specific features. We have analyzed several machine learning algorithms to discriminate protein-protein complexes into high and low affinity groups based on their Kd values. Our results showed a 10-fold cross-validation accuracy of 76.1% with the combination of nine features using support vector machines. Further, we observed accuracy of 83.3% on an independent test set of 30 complexes. We suggest that our method would serve as an effective tool for identifying the interacting partners in protein-protein interaction networks and human-pathogen interactions based on the strength of interactions. © 2014 Wiley Periodicals, Inc.

Photometric Supernova Classification with Machine Learning

NASA Astrophysics Data System (ADS)

Lochner, Michelle; McEwen, Jason D.; Peiris, Hiranya V.; Lahav, Ofer; Winter, Max K.

2016-08-01

Automated photometric supernova classification has become an active area of research in recent years in light of current and upcoming imaging surveys such as the Dark Energy Survey (DES) and the Large Synoptic Survey Telescope, given that spectroscopic confirmation of type for all supernovae discovered will be impossible. Here, we develop a multi-faceted classification pipeline, combining existing and new approaches. Our pipeline consists of two stages: extracting descriptive features from the light curves and classification using a machine learning algorithm. Our feature extraction methods vary from model-dependent techniques, namely SALT2 fits, to more independent techniques that fit parametric models to curves, to a completely model-independent wavelet approach. We cover a range of representative machine learning algorithms, including naive Bayes, k-nearest neighbors, support vector machines, artificial neural networks, and boosted decision trees (BDTs). We test the pipeline on simulated multi-band DES light curves from the Supernova Photometric Classification Challenge. Using the commonly used area under the curve (AUC) of the Receiver Operating Characteristic as a metric, we find that the SALT2 fits and the wavelet approach, with the BDTs algorithm, each achieve an AUC of 0.98, where 1 represents perfect classification. We find that a representative training set is essential for good classification, whatever the feature set or algorithm, with implications for spectroscopic follow-up. Importantly, we find that by using either the SALT2 or the wavelet feature sets with a BDT algorithm, accurate classification is possible purely from light curve data, without the need for any redshift information.

Synergies Between Quantum Mechanics and Machine Learning in Reaction Prediction.

PubMed

Sadowski, Peter; Fooshee, David; Subrahmanya, Niranjan; Baldi, Pierre

2016-11-28

Machine learning (ML) and quantum mechanical (QM) methods can be used in two-way synergy to build chemical reaction expert systems. The proposed ML approach identifies electron sources and sinks among reactants and then ranks all source-sink pairs. This addresses a bottleneck of QM calculations by providing a prioritized list of mechanistic reaction steps. QM modeling can then be used to compute the transition states and activation energies of the top-ranked reactions, providing additional or improved examples of ranked source-sink pairs. Retraining the ML model closes the loop, producing more accurate predictions from a larger training set. The approach is demonstrated in detail using a small set of organic radical reactions.

Machine-learning approach for local classification of crystalline structures in multiphase systems

NASA Astrophysics Data System (ADS)

Dietz, C.; Kretz, T.; Thoma, M. H.

2017-07-01

Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions. This leads to insights into highly disturbed crystalline structures.

Predicting Mouse Liver Microsomal Stability with “Pruned” Machine Learning Models and Public Data

PubMed Central

Perryman, Alexander L.; Stratton, Thomas P.; Ekins, Sean; Freundlich, Joel S.

2015-01-01

Purpose Mouse efficacy studies are a critical hurdle to advance translational research of potential therapeutic compounds for many diseases. Although mouse liver microsomal (MLM) stability studies are not a perfect surrogate for in vivo studies of metabolic clearance, they are the initial model system used to assess metabolic stability. Consequently, we explored the development of machine learning models that can enhance the probability of identifying compounds possessing MLM stability. Methods Published assays on MLM half-life values were identified in PubChem, reformatted, and curated to create a training set with 894 unique small molecules. These data were used to construct machine learning models assessed with internal cross-validation, external tests with a published set of antitubercular compounds, and independent validation with an additional diverse set of 571 compounds (PubChem data on percent metabolism). Results “Pruning” out the moderately unstable/moderately stable compounds from the training set produced models with superior predictive power. Bayesian models displayed the best predictive power for identifying compounds with a half-life ≥1 hour. Conclusions Our results suggest the pruning strategy may be of general benefit to improve test set enrichment and provide machine learning models with enhanced predictive value for the MLM stability of small organic molecules. This study represents the most exhaustive study to date of using machine learning approaches with MLM data from public sources. PMID:26415647

Predicting Mouse Liver Microsomal Stability with "Pruned" Machine Learning Models and Public Data.

PubMed

Perryman, Alexander L; Stratton, Thomas P; Ekins, Sean; Freundlich, Joel S

2016-02-01

Mouse efficacy studies are a critical hurdle to advance translational research of potential therapeutic compounds for many diseases. Although mouse liver microsomal (MLM) stability studies are not a perfect surrogate for in vivo studies of metabolic clearance, they are the initial model system used to assess metabolic stability. Consequently, we explored the development of machine learning models that can enhance the probability of identifying compounds possessing MLM stability. Published assays on MLM half-life values were identified in PubChem, reformatted, and curated to create a training set with 894 unique small molecules. These data were used to construct machine learning models assessed with internal cross-validation, external tests with a published set of antitubercular compounds, and independent validation with an additional diverse set of 571 compounds (PubChem data on percent metabolism). "Pruning" out the moderately unstable / moderately stable compounds from the training set produced models with superior predictive power. Bayesian models displayed the best predictive power for identifying compounds with a half-life ≥1 h. Our results suggest the pruning strategy may be of general benefit to improve test set enrichment and provide machine learning models with enhanced predictive value for the MLM stability of small organic molecules. This study represents the most exhaustive study to date of using machine learning approaches with MLM data from public sources.

A Symbiotic Framework for coupling Machine Learning and Geosciences in Prediction and Predictability

NASA Astrophysics Data System (ADS)

Ravela, S.

2017-12-01

In this presentation we review the two directions of a symbiotic relationship between machine learning and the geosciences in relation to prediction and predictability. In the first direction, we develop ensemble, information theoretic and manifold learning framework to adaptively improve state and parameter estimates in nonlinear high-dimensional non-Gaussian problems, showing in particular that tractable variational approaches can be produced. We demonstrate these applications in the context of autonomous mapping of environmental coherent structures and other idealized problems. In the reverse direction, we show that data assimilation, particularly probabilistic approaches for filtering and smoothing offer a novel and useful way to train neural networks, and serve as a better basis than gradient based approaches when we must quantify uncertainty in association with nonlinear, chaotic processes. In many inference problems in geosciences we seek to build reduced models to characterize local sensitivies, adjoints or other mechanisms that propagate innovations and errors. Here, the particular use of neural approaches for such propagation trained using ensemble data assimilation provides a novel framework. Through these two examples of inference problems in the earth sciences, we show that not only is learning useful to broaden existing methodology, but in reverse, geophysical methodology can be used to influence paradigms in learning.

Identifying seizure onset zone from electrocorticographic recordings: A machine learning approach based on phase locking value.

PubMed

Elahian, Bahareh; Yeasin, Mohammed; Mudigoudar, Basanagoud; Wheless, James W; Babajani-Feremi, Abbas

2017-10-01

Using a novel technique based on phase locking value (PLV), we investigated the potential for features extracted from electrocorticographic (ECoG) recordings to serve as biomarkers to identify the seizure onset zone (SOZ). We computed the PLV between the phase of the amplitude of high gamma activity (80-150Hz) and the phase of lower frequency rhythms (4-30Hz) from ECoG recordings obtained from 10 patients with epilepsy (21 seizures). We extracted five features from the PLV and used a machine learning approach based on logistic regression to build a model that classifies electrodes as SOZ or non-SOZ. More than 96% of electrodes identified as the SOZ by our algorithm were within the resected area in six seizure-free patients. In four non-seizure-free patients, more than 31% of the identified SOZ electrodes by our algorithm were outside the resected area. In addition, we observed that the seizure outcome in non-seizure-free patients correlated with the number of non-resected SOZ electrodes identified by our algorithm. This machine learning approach, based on features extracted from the PLV, effectively identified electrodes within the SOZ. The approach has the potential to assist clinicians in surgical decision-making when pre-surgical intracranial recordings are utilized. Copyright © 2017 British Epilepsy Association. Published by Elsevier Ltd. All rights reserved.

An Application of the Geo-Semantic Micro-services in Seamless Data-Model Integration

NASA Astrophysics Data System (ADS)

Jiang, P.; Elag, M.; Kumar, P.; Liu, R.; Hu, Y.; Marini, L.; Peckham, S. D.; Hsu, L.

2016-12-01

We are applying machine learning (ML) techniques to continuous acoustic emission (AE) data from laboratory earthquake experiments. Our goal is to apply explicit ML methods to this acoustic datathe AE in order to infer frictional properties of a laboratory fault. The experiment is a double direct shear apparatus comprised of fault blocks surrounding fault gouge comprised of glass beads or quartz powder. Fault characteristics are recorded, including shear stress, applied load (bulk friction = shear stress/normal load) and shear velocity. The raw acoustic signal is continuously recorded. We rely on explicit decision tree approaches (Random Forest and Gradient Boosted Trees) that allow us to identify important features linked to the fault friction. A training procedure that employs both the AE and the recorded shear stress from the experiment is first conducted. Then, testing takes place on data the algorithm has never seen before, using only the continuous AE signal. We find that these methods provide rich information regarding frictional processes during slip (Rouet-Leduc et al., 2017a; Hulbert et al., 2017). In addition, similar machine learning approaches predict failure times, as well as slip magnitudes in some cases. We find that these methods work for both stick slip and slow slip experiments, for periodic slip and for aperiodic slip. We also derive a fundamental relationship between the AE and the friction describing the frictional behavior of any earthquake slip cycle in a given experiment (Rouet-Leduc et al., 2017b). Our goal is to ultimately scale these approaches to Earth geophysical data to probe fault friction. References Rouet-Leduc, B., C. Hulbert, N. Lubbers, K. Barros, C. Humphreys and P. A. Johnson, Machine learning predicts laboratory earthquakes, in review (2017). https://arxiv.org/abs/1702.05774Rouet-LeDuc, B. et al., Friction Laws Derived From the Acoustic Emissions of a Laboratory Fault by Machine Learning (2017), AGU Fall Meeting Session S025: Earthquake source: from the laboratory to the fieldHulbert, C., Characterizing slow slip applying machine learning (2017), AGU Fall Meeting Session S019: Slow slip, Tectonic Tremor, and the Brittle-to-Ductile Transition Zone: What mechanisms control the diversity of slow and fast earthquakes?

Understanding the dynamics of terrorism events with multiple-discipline datasets and machine learning approach

PubMed Central

Ding, Fangyu; Ge, Quansheng; Fu, Jingying; Hao, Mengmeng

2017-01-01

Terror events can cause profound consequences for the whole society. Finding out the regularity of terrorist attacks has important meaning for the global counter-terrorism strategy. In the present study, we demonstrate a novel method using relatively popular and robust machine learning methods to simulate the risk of terrorist attacks at a global scale based on multiple resources, long time series and globally distributed datasets. Historical data from 1970 to 2015 was adopted to train and evaluate machine learning models. The model performed fairly well in predicting the places where terror events might occur in 2015, with a success rate of 96.6%. Moreover, it is noteworthy that the model with optimized tuning parameter values successfully predicted 2,037 terrorism event locations where a terrorist attack had never happened before. PMID:28591138

Understanding the dynamics of terrorism events with multiple-discipline datasets and machine learning approach.

PubMed

Ding, Fangyu; Ge, Quansheng; Jiang, Dong; Fu, Jingying; Hao, Mengmeng

2017-01-01

Terror events can cause profound consequences for the whole society. Finding out the regularity of terrorist attacks has important meaning for the global counter-terrorism strategy. In the present study, we demonstrate a novel method using relatively popular and robust machine learning methods to simulate the risk of terrorist attacks at a global scale based on multiple resources, long time series and globally distributed datasets. Historical data from 1970 to 2015 was adopted to train and evaluate machine learning models. The model performed fairly well in predicting the places where terror events might occur in 2015, with a success rate of 96.6%. Moreover, it is noteworthy that the model with optimized tuning parameter values successfully predicted 2,037 terrorism event locations where a terrorist attack had never happened before.

Machine-learning in astronomy

NASA Astrophysics Data System (ADS)

Hobson, Michael; Graff, Philip; Feroz, Farhan; Lasenby, Anthony

2014-05-01

Machine-learning methods may be used to perform many tasks required in the analysis of astronomical data, including: data description and interpretation, pattern recognition, prediction, classification, compression, inference and many more. An intuitive and well-established approach to machine learning is the use of artificial neural networks (NNs), which consist of a group of interconnected nodes, each of which processes information that it receives and then passes this product on to other nodes via weighted connections. In particular, I discuss the first public release of the generic neural network training algorithm, called SkyNet, and demonstrate its application to astronomical problems focusing on its use in the BAMBI package for accelerated Bayesian inference in cosmology, and the identification of gamma-ray bursters. The SkyNet and BAMBI packages, which are fully parallelised using MPI, are available at http://www.mrao.cam.ac.uk/software/.

What is the machine learning?

NASA Astrophysics Data System (ADS)

Chang, Spencer; Cohen, Timothy; Ostdiek, Bryan

2018-03-01

Applications of machine learning tools to problems of physical interest are often criticized for producing sensitivity at the expense of transparency. To address this concern, we explore a data planing procedure for identifying combinations of variables—aided by physical intuition—that can discriminate signal from background. Weights are introduced to smooth away the features in a given variable(s). New networks are then trained on this modified data. Observed decreases in sensitivity diagnose the variable's discriminating power. Planing also allows the investigation of the linear versus nonlinear nature of the boundaries between signal and background. We demonstrate the efficacy of this approach using a toy example, followed by an application to an idealized heavy resonance scenario at the Large Hadron Collider. By unpacking the information being utilized by these algorithms, this method puts in context what it means for a machine to learn.

Big data integration for regional hydrostratigraphic mapping

NASA Astrophysics Data System (ADS)

Friedel, M. J.

2013-12-01

Numerical models provide a way to evaluate groundwater systems, but determining the hydrostratigraphic units (HSUs) used in devising these models remains subjective, nonunique, and uncertain. A novel geophysical-hydrogeologic data integration scheme is proposed to constrain the estimation of continuous HSUs. First, machine-learning and multivariate statistical techniques are used to simultaneously integrate borehole hydrogeologic (lithology, hydraulic conductivity, aqueous field parameters, dissolved constituents) and geophysical (gamma, spontaneous potential, and resistivity) measurements. Second, airborne electromagnetic measurements are numerically inverted to obtain subsurface resistivity structure at randomly selected locations. Third, the machine-learning algorithm is trained using the borehole hydrostratigraphic units and inverted airborne resistivity profiles. The trained machine-learning algorithm is then used to estimate HSUs at independent resistivity profile locations. We demonstrate efficacy of the proposed approach to map the hydrostratigraphy of a heterogeneous surficial aquifer in northwestern Nebraska.

Detection of distorted frames in retinal video-sequences via machine learning

NASA Astrophysics Data System (ADS)

Kolar, Radim; Liberdova, Ivana; Odstrcilik, Jan; Hracho, Michal; Tornow, Ralf P.

2017-07-01

This paper describes detection of distorted frames in retinal sequences based on set of global features extracted from each frame. The feature vector is consequently used in classification step, in which three types of classifiers are tested. The best classification accuracy 96% has been achieved with support vector machine approach.

THE WORLD OF TEACHING MACHINES, PROGRAMED LEARNING AND SELF-INSTRUCTIONAL DEVICES.

ERIC Educational Resources Information Center

FOLTZ, CHARLES I.

TEACHING MACHINES HAVE SEVERAL ADVANTAGES--TIME IS SAVED, CORRECT RESPONSE IS REINFORCED IMMEDIATELY, AND STUDENTS ARE NOT PUBLICLY CONFRONTED WITH FAILURE. THERE ARE TWO APPROACHES TO THE PROGRAMED INSTRUCTION INTRINSIC TO THEIR USE--ONE (THE SKINNER METHOD) IS BASED ON FILLING IN BLANK SPACES, THE OTHER (THE CROWDER METHOD) EMPLOYS…

The Bread and Butter of Classical Organizational Approaches: The Time-and-Motion Study

ERIC Educational Resources Information Center

Peterson, Dan W.

2007-01-01

The thought of learning about the principles of classical management and the machine metaphor of organizing can get many organizational communication students yawning just by seeing the subject in a syllabus. Abundant movie and television examples associated with the machine-like nature of workplace productivity are often used to demonstrate…

Convolutional Neural Network Based on Extreme Learning Machine for Maritime Ships Recognition in Infrared Images.

PubMed

Khellal, Atmane; Ma, Hongbin; Fei, Qing

2018-05-09

The success of Deep Learning models, notably convolutional neural networks (CNNs), makes them the favorable solution for object recognition systems in both visible and infrared domains. However, the lack of training data in the case of maritime ships research leads to poor performance due to the problem of overfitting. In addition, the back-propagation algorithm used to train CNN is very slow and requires tuning many hyperparameters. To overcome these weaknesses, we introduce a new approach fully based on Extreme Learning Machine (ELM) to learn useful CNN features and perform a fast and accurate classification, which is suitable for infrared-based recognition systems. The proposed approach combines an ELM based learning algorithm to train CNN for discriminative features extraction and an ELM based ensemble for classification. The experimental results on VAIS dataset, which is the largest dataset of maritime ships, confirm that the proposed approach outperforms the state-of-the-art models in term of generalization performance and training speed. For instance, the proposed model is up to 950 times faster than the traditional back-propagation based training of convolutional neural networks, primarily for low-level features extraction.

LeadMine: a grammar and dictionary driven approach to entity recognition.

PubMed

Lowe, Daniel M; Sayle, Roger A

2015-01-01

Chemical entity recognition has traditionally been performed by machine learning approaches. Here we describe an approach using grammars and dictionaries. This approach has the advantage that the entities found can be directly related to a given grammar or dictionary, which allows the type of an entity to be known and, if an entity is misannotated, indicates which resource should be corrected. As recognition is driven by what is expected, if spelling errors occur, they can be corrected. Correcting such errors is highly useful when attempting to lookup an entity in a database or, in the case of chemical names, converting them to structures. Our system uses a mixture of expertly curated grammars and dictionaries, as well as dictionaries automatically derived from public resources. We show that the heuristics developed to filter our dictionary of trivial chemical names (from PubChem) yields a better performing dictionary than the previously published Jochem dictionary. Our final system performs post-processing steps to modify the boundaries of entities and to detect abbreviations. These steps are shown to significantly improve performance (2.6% and 4.0% F1-score respectively). Our complete system, with incremental post-BioCreative workshop improvements, achieves 89.9% precision and 85.4% recall (87.6% F1-score) on the CHEMDNER test set. Grammar and dictionary approaches can produce results at least as good as the current state of the art in machine learning approaches. While machine learning approaches are commonly thought of as "black box" systems, our approach directly links the output entities to the input dictionaries and grammars. Our approach also allows correction of errors in detected entities, which can assist with entity resolution.

LeadMine: a grammar and dictionary driven approach to entity recognition

PubMed Central

2015-01-01

Background Chemical entity recognition has traditionally been performed by machine learning approaches. Here we describe an approach using grammars and dictionaries. This approach has the advantage that the entities found can be directly related to a given grammar or dictionary, which allows the type of an entity to be known and, if an entity is misannotated, indicates which resource should be corrected. As recognition is driven by what is expected, if spelling errors occur, they can be corrected. Correcting such errors is highly useful when attempting to lookup an entity in a database or, in the case of chemical names, converting them to structures. Results Our system uses a mixture of expertly curated grammars and dictionaries, as well as dictionaries automatically derived from public resources. We show that the heuristics developed to filter our dictionary of trivial chemical names (from PubChem) yields a better performing dictionary than the previously published Jochem dictionary. Our final system performs post-processing steps to modify the boundaries of entities and to detect abbreviations. These steps are shown to significantly improve performance (2.6% and 4.0% F1-score respectively). Our complete system, with incremental post-BioCreative workshop improvements, achieves 89.9% precision and 85.4% recall (87.6% F1-score) on the CHEMDNER test set. Conclusions Grammar and dictionary approaches can produce results at least as good as the current state of the art in machine learning approaches. While machine learning approaches are commonly thought of as "black box" systems, our approach directly links the output entities to the input dictionaries and grammars. Our approach also allows correction of errors in detected entities, which can assist with entity resolution. PMID:25810776

[Application of Mass Spectrometry to the Diagnosis of Cancer--Chairman's Introductory Remarks].

PubMed

Yatomi, Yutaka

2015-09-01

In this symposium, the latest application of mass spectrometry to laboratory medicine, i.e., to the early diagnosis of cancer, was introduced. Dr. Masaru YOSHIDA, who has been using metabolome analysis to discover biomarker candidates for gastroenterological diseases, presented an automated early diagnosis system for early stages of colon cancer based on metabolome analysis and using a minute amount of blood. On the other hand, Dr. Sen TAKEDA, who has developed a new approach by employing both mass spectrometry and machine-learning for cancer diagnosis, presented a device for the clinical diagnosis of cancer using probe electrospray ionization (PESI) and machine-learning called the dual penalized logistic regression machine (dPLRM).

Accelerating the discovery of hidden two-dimensional magnets using machine learning and first principle calculations

NASA Astrophysics Data System (ADS)

Miyazato, Itsuki; Tanaka, Yuzuru; Takahashi, Keisuke

2018-02-01

Two-dimensional (2D) magnets are explored in terms of data science and first principle calculations. Machine learning determines four descriptors for predicting the magnetic moments of 2D materials within reported 216 2D materials data. With the trained machine, 254 2D materials are predicted to have high magnetic moments. First principle calculations are performed to evaluate the predicted 254 2D materials where eight undiscovered stable 2D materials with high magnetic moments are revealed. The approach taken in this work indicates that undiscovered materials can be surfaced by utilizing data science and materials data, leading to an innovative way of discovering hidden materials.

Modeling Electronic Quantum Transport with Machine Learning

DOE PAGES

Lopez Bezanilla, Alejandro; von Lilienfeld Toal, Otto A.

2014-06-11

We present a machine learning approach to solve electronic quantum transport equations of one-dimensional nanostructures. The transmission coefficients of disordered systems were computed to provide training and test data sets to the machine. The system’s representation encodes energetic as well as geometrical information to characterize similarities between disordered configurations, while the Euclidean norm is used as a measure of similarity. Errors for out-of-sample predictions systematically decrease with training set size, enabling the accurate and fast prediction of new transmission coefficients. The remarkable performance of our model to capture the complexity of interference phenomena lends further support to its viability inmore » dealing with transport problems of undulatory nature.« less

Integrating machine learning techniques and high-resolution imagery to generate GIS-ready information for urban water consumption studies

NASA Astrophysics Data System (ADS)

Wolf, Nils; Hof, Angela

2012-10-01

Urban sprawl driven by shifts in tourism development produces new suburban landscapes of water consumption on Mediterranean coasts. Golf courses, ornamental, 'Atlantic' gardens and swimming pools are the most striking artefacts of this transformation, threatening the local water supply systems and exacerbating water scarcity. In the face of climate change, urban landscape irrigation is becoming increasingly important from a resource management point of view. This paper adopts urban remote sensing towards a targeted mapping approach using machine learning techniques and highresolution satellite imagery (WorldView-2) to generate GIS-ready information for urban water consumption studies. Swimming pools, vegetation and - as a subgroup of vegetation - turf grass are extracted as important determinants of water consumption. For image analysis, the complex nature of urban environments suggests spatial-spectral classification, i.e. the complementary use of the spectral signature and spatial descriptors. Multiscale image segmentation provides means to extract the spatial descriptors - namely object feature layers - which can be concatenated at pixel level to the spectral signature. This study assesses the value of object features using different machine learning techniques and amounts of labeled information for learning. The results indicate the benefit of the spatial-spectral approach if combined with appropriate classifiers like tree-based ensembles or support vector machines, which can handle high dimensionality. Finally, a Random Forest classifier was chosen to deliver the classified input data for the estimation of evaporative water loss and net landscape irrigation requirements.

(Machine-)Learning to analyze in vivo microscopy: Support vector machines.

PubMed

Wang, Michael F Z; Fernandez-Gonzalez, Rodrigo

2017-11-01

The development of new microscopy techniques for super-resolved, long-term monitoring of cellular and subcellular dynamics in living organisms is revealing new fundamental aspects of tissue development and repair. However, new microscopy approaches present several challenges. In addition to unprecedented requirements for data storage, the analysis of high resolution, time-lapse images is too complex to be done manually. Machine learning techniques are ideally suited for the (semi-)automated analysis of multidimensional image data. In particular, support vector machines (SVMs), have emerged as an efficient method to analyze microscopy images obtained from animals. Here, we discuss the use of SVMs to analyze in vivo microscopy data. We introduce the mathematical framework behind SVMs, and we describe the metrics used by SVMs and other machine learning approaches to classify image data. We discuss the influence of different SVM parameters in the context of an algorithm for cell segmentation and tracking. Finally, we describe how the application of SVMs has been critical to study protein localization in yeast screens, for lineage tracing in C. elegans, or to determine the developmental stage of Drosophila embryos to investigate gene expression dynamics. We propose that SVMs will become central tools in the analysis of the complex image data that novel microscopy modalities have made possible. This article is part of a Special Issue entitled: Biophysics in Canada, edited by Lewis Kay, John Baenziger, Albert Berghuis and Peter Tieleman. Copyright © 2017 Elsevier B.V. All rights reserved.

A comparative analysis of support vector machines and extreme learning machines.

PubMed

Liu, Xueyi; Gao, Chuanhou; Li, Ping

2012-09-01

The theory of extreme learning machines (ELMs) has recently become increasingly popular. As a new learning algorithm for single-hidden-layer feed-forward neural networks, an ELM offers the advantages of low computational cost, good generalization ability, and ease of implementation. Hence the comparison and model selection between ELMs and other kinds of state-of-the-art machine learning approaches has become significant and has attracted many research efforts. This paper performs a comparative analysis of the basic ELMs and support vector machines (SVMs) from two viewpoints that are different from previous works: one is the Vapnik-Chervonenkis (VC) dimension, and the other is their performance under different training sample sizes. It is shown that the VC dimension of an ELM is equal to the number of hidden nodes of the ELM with probability one. Additionally, their generalization ability and computational complexity are exhibited with changing training sample size. ELMs have weaker generalization ability than SVMs for small sample but can generalize as well as SVMs for large sample. Remarkably, great superiority in computational speed especially for large-scale sample problems is found in ELMs. The results obtained can provide insight into the essential relationship between them, and can also serve as complementary knowledge for their past experimental and theoretical comparisons. Copyright © 2012 Elsevier Ltd. All rights reserved.

A Response Evaluation Approach: An Aid for Computer Assisted Instruction Lesson Writing.

DTIC Science & Technology

1980-09-01

Arnheim, Rudolph, Visual Thinking, Berkeley and Los Angeles, California: UniversiEy of California Press, 1969. Bruner , Jerome S., Goodnow, Jacqueline J...describing a further path for each student, which would optimize his learning experience, must be at the machine’s disposal. In the student-directed...approach, the sequence of the material presented is altered only at the request of the student. The approach uses the aspect of learning by dis

Enhanced Quality Control in Pharmaceutical Applications by Combining Raman Spectroscopy and Machine Learning Techniques

NASA Astrophysics Data System (ADS)

Martinez, J. C.; Guzmán-Sepúlveda, J. R.; Bolañoz Evia, G. R.; Córdova, T.; Guzmán-Cabrera, R.

2018-06-01

In this work, we applied machine learning techniques to Raman spectra for the characterization and classification of manufactured pharmaceutical products. Our measurements were taken with commercial equipment, for accurate assessment of variations with respect to one calibrated control sample. Unlike the typical use of Raman spectroscopy in pharmaceutical applications, in our approach the principal components of the Raman spectrum are used concurrently as attributes in machine learning algorithms. This permits an efficient comparison and classification of the spectra measured from the samples under study. This also allows for accurate quality control as all relevant spectral components are considered simultaneously. We demonstrate our approach with respect to the specific case of acetaminophen, which is one of the most widely used analgesics in the market. In the experiments, commercial samples from thirteen different laboratories were analyzed and compared against a control sample. The raw data were analyzed based on an arithmetic difference between the nominal active substance and the measured values in each commercial sample. The principal component analysis was applied to the data for quantitative verification (i.e., without considering the actual concentration of the active substance) of the difference in the calibrated sample. Our results show that by following this approach adulterations in pharmaceutical compositions can be clearly identified and accurately quantified.

Applying machine learning classification techniques to automate sky object cataloguing

NASA Astrophysics Data System (ADS)

Fayyad, Usama M.; Doyle, Richard J.; Weir, W. Nick; Djorgovski, Stanislav

1993-08-01

We describe the application of an Artificial Intelligence machine learning techniques to the development of an automated tool for the reduction of a large scientific data set. The 2nd Mt. Palomar Northern Sky Survey is nearly completed. This survey provides comprehensive coverage of the northern celestial hemisphere in the form of photographic plates. The plates are being transformed into digitized images whose quality will probably not be surpassed in the next ten to twenty years. The images are expected to contain on the order of 107 galaxies and 108 stars. Astronomers wish to determine which of these sky objects belong to various classes of galaxies and stars. Unfortunately, the size of this data set precludes analysis in an exclusively manual fashion. Our approach is to develop a software system which integrates the functions of independently developed techniques for image processing and data classification. Digitized sky images are passed through image processing routines to identify sky objects and to extract a set of features for each object. These routines are used to help select a useful set of attributes for classifying sky objects. Then GID3 (Generalized ID3) and O-B Tree, two inductive learning techniques, learns classification decision trees from examples. These classifiers will then be applied to new data. These developmnent process is highly interactive, with astronomer input playing a vital role. Astronomers refine the feature set used to construct sky object descriptions, and evaluate the performance of the automated classification technique on new data. This paper gives an overview of the machine learning techniques with an emphasis on their general applicability, describes the details of our specific application, and reports the initial encouraging results. The results indicate that our machine learning approach is well-suited to the problem. The primary benefit of the approach is increased data reduction throughput. Another benefit is consistency of classification. The classification rules which are the product of the inductive learning techniques will form an objective, examinable basis for classifying sky objects. A final, not to be underestimated benefit is that astronomers will be freed from the tedium of an intensely visual task to pursue more challenging analysis and interpretation problems based on automatically catalogued data.

AV-Based Mechanics

ERIC Educational Resources Information Center

Training in Business and Industry, 1974

1974-01-01

An individualized study approach to learning the occupation of sewing machine mechanic was developed by Union Special Corporation. The approach utilizes audiovisual aids to a great extent. The time spent in training has been cut from two years to ten weeks. (AG)

Technology for Early Detection of Depression and Anxiety in Older People.

PubMed

Andrews, Jacob A; Astell, Arlene J; Brown, Laura J E; Harrison, Robert F; Hawley, Mark S

2017-01-01

Under-diagnosis of depression and anxiety is common in older adults. This project took a mixed methods approach to explore the application of machine learning and technology for early detection of these conditions. Mood measures collected with digital technologies were used to predict depression and anxiety status according to the Geriatric Depression Scale (GDS) and the Hospital Anxiety and Depression Scale (HADS). Interactive group activities and interviews were used to explore views of older adults and healthcare professionals on this approach respectively. The results show good potential for using a machine learning approach with mood data to predict later depression, though prospective results are preliminary. Qualitative findings highlight motivators and barriers to use of mental health technologies, as well as usability issues. If consideration is given to these issues, this approach could allow alerts to be provided to healthcare staff to draw attention to service users who may go on to experience depression.

Machine learning for autonomous crystal structure identification.

PubMed

Reinhart, Wesley F; Long, Andrew W; Howard, Michael P; Ferguson, Andrew L; Panagiotopoulos, Athanassios Z

2017-07-21

We present a machine learning technique to discover and distinguish relevant ordered structures from molecular simulation snapshots or particle tracking data. Unlike other popular methods for structural identification, our technique requires no a priori description of the target structures. Instead, we use nonlinear manifold learning to infer structural relationships between particles according to the topology of their local environment. This graph-based approach yields unbiased structural information which allows us to quantify the crystalline character of particles near defects, grain boundaries, and interfaces. We demonstrate the method by classifying particles in a simulation of colloidal crystallization, and show that our method identifies structural features that are missed by standard techniques.

Tackling the x-ray cargo inspection challenge using machine learning

NASA Astrophysics Data System (ADS)

Jaccard, Nicolas; Rogers, Thomas W.; Morton, Edward J.; Griffin, Lewis D.

2016-05-01

The current infrastructure for non-intrusive inspection of cargo containers cannot accommodate exploding com-merce volumes and increasingly stringent regulations. There is a pressing need to develop methods to automate parts of the inspection workflow, enabling expert operators to focus on a manageable number of high-risk images. To tackle this challenge, we developed a modular framework for automated X-ray cargo image inspection. Employing state-of-the-art machine learning approaches, including deep learning, we demonstrate high performance for empty container verification and specific threat detection. This work constitutes a significant step towards the partial automation of X-ray cargo image inspection.

Multivariate Models for Prediction of Human Skin Sensitization ...

EPA Pesticide Factsheets

One of the lnteragency Coordinating Committee on the Validation of Alternative Method's (ICCVAM) top priorities is the development and evaluation of non-animal approaches to identify potential skin sensitizers. The complexity of biological events necessary to produce skin sensitization suggests that no single alternative method will replace the currently accepted animal tests. ICCVAM is evaluating an integrated approach to testing and assessment based on the adverse outcome pathway for skin sensitization that uses machine learning approaches to predict human skin sensitization hazard. We combined data from three in chemico or in vitro assays - the direct peptide reactivity assay (DPRA), human cell line activation test (h-CLAT) and KeratinoSens TM assay - six physicochemical properties and an in silico read-across prediction of skin sensitization hazard into 12 variable groups. The variable groups were evaluated using two machine learning approaches , logistic regression and support vector machine, to predict human skin sensitization hazard. Models were trained on 72 substances and tested on an external set of 24 substances. The six models (three logistic regression and three support vector machine) with the highest accuracy (92%) used: (1) DPRA, h-CLAT and read-across; (2) DPRA, h-CLAT, read-across and KeratinoSens; or (3) DPRA, h-CLAT, read-across, KeratinoSens and log P. The models performed better at predicting human skin sensitization hazard than the murine

Assessing the use of multiple sources in student essays.

PubMed

Hastings, Peter; Hughes, Simon; Magliano, Joseph P; Goldman, Susan R; Lawless, Kimberly

2012-09-01

The present study explored different approaches for automatically scoring student essays that were written on the basis of multiple texts. Specifically, these approaches were developed to classify whether or not important elements of the texts were present in the essays. The first was a simple pattern-matching approach called "multi-word" that allowed for flexible matching of words and phrases in the sentences. The second technique was latent semantic analysis (LSA), which was used to compare student sentences to original source sentences using its high-dimensional vector-based representation. Finally, the third was a machine-learning technique, support vector machines, which learned a classification scheme from the corpus. The results of the study suggested that the LSA-based system was superior for detecting the presence of explicit content from the texts, but the multi-word pattern-matching approach was better for detecting inferences outside or across texts. These results suggest that the best approach for analyzing essays of this nature should draw upon multiple natural language processing approaches.

A Novel Method for Satellite Maneuver Prediction

NASA Astrophysics Data System (ADS)

Shabarekh, C.; Kent-Bryant, J.; Keselman, G.; Mitidis, A.

2016-09-01

A space operations tradecraft consisting of detect-track-characterize-catalog is insufficient for maintaining Space Situational Awareness (SSA) as space becomes increasingly congested and contested. In this paper, we apply analytical methodology from the Geospatial-Intelligence (GEOINT) community to a key challenge in SSA: predicting where and when a satellite may maneuver in the future. We developed a machine learning approach to probabilistically characterize Patterns of Life (PoL) for geosynchronous (GEO) satellites. PoL are repeatable, predictable behaviors that an object exhibits within a context and is driven by spatio-temporal, relational, environmental and physical constraints. An example of PoL are station-keeping maneuvers in GEO which become generally predictable as the satellite re-positions itself to account for orbital perturbations. In an earlier publication, we demonstrated the ability to probabilistically predict maneuvers of the Galaxy 15 (NORAD ID: 28884) satellite with high confidence eight days in advance of the actual maneuver. Additionally, we were able to detect deviations from expected PoL within hours of the predicted maneuver [6]. This was done with a custom unsupervised machine learning algorithm, the Interval Similarity Model (ISM), which learns repeating intervals of maneuver patterns from unlabeled historical observations and then predicts future maneuvers. In this paper, we introduce a supervised machine learning algorithm that works in conjunction with the ISM to produce a probabilistic distribution of when future maneuvers will occur. The supervised approach uses a Support Vector Machine (SVM) to process the orbit state whereas the ISM processes the temporal intervals between maneuvers and the physics-based characteristics of the maneuvers. This multiple model approach capitalizes on the mathematical strengths of each respective algorithm while incorporating multiple features and inputs. Initial findings indicate that the combined approach can predict 70% of maneuver times within 3 days of a true maneuver time and 22% of maneuver times within 24 hours of a maneuver. We have also been able to detect deviations from expected maneuver patterns up to a week in advance.

Machine learning of atmospheric chemistry. Applications to a global chemistry transport model.

NASA Astrophysics Data System (ADS)

Evans, M. J.; Keller, C. A.

2017-12-01

Atmospheric chemistry is central to many environmental issues such as air pollution, climate change, and stratospheric ozone loss. Chemistry Transport Models (CTM) are a central tool for understanding these issues, whether for research or for forecasting. These models split the atmosphere in a large number of grid-boxes and consider the emission of compounds into these boxes and their subsequent transport, deposition, and chemical processing. The chemistry is represented through a series of simultaneous ordinary differential equations, one for each compound. Given the difference in life-times between the chemical compounds (mili-seconds for O(1D) to years for CH4) these equations are numerically stiff and solving them consists of a significant fraction of the computational burden of a CTM.We have investigated a machine learning approach to solving the differential equations instead of solving them numerically. From an annual simulation of the GEOS-Chem model we have produced a training dataset consisting of the concentration of compounds before and after the differential equations are solved, together with some key physical parameters for every grid-box and time-step. From this dataset we have trained a machine learning algorithm (random regression forest) to be able to predict the concentration of the compounds after the integration step based on the concentrations and physical state at the beginning of the time step. We have then included this algorithm back into the GEOS-Chem model, bypassing the need to integrate the chemistry.This machine learning approach shows many of the characteristics of the full simulation and has the potential to be substantially faster. There are a wide range of application for such an approach - generating boundary conditions, for use in air quality forecasts, chemical data assimilation systems, centennial scale climate simulations etc. We discuss our approches' speed and accuracy, and highlight some potential future directions for improving this approach.

PACE: Probabilistic Assessment for Contributor Estimation- A machine learning-based assessment of the number of contributors in DNA mixtures.

PubMed

Marciano, Michael A; Adelman, Jonathan D

2017-03-01

The deconvolution of DNA mixtures remains one of the most critical challenges in the field of forensic DNA analysis. In addition, of all the data features required to perform such deconvolution, the number of contributors in the sample is widely considered the most important, and, if incorrectly chosen, the most likely to negatively influence the mixture interpretation of a DNA profile. Unfortunately, most current approaches to mixture deconvolution require the assumption that the number of contributors is known by the analyst, an assumption that can prove to be especially faulty when faced with increasingly complex mixtures of 3 or more contributors. In this study, we propose a probabilistic approach for estimating the number of contributors in a DNA mixture that leverages the strengths of machine learning. To assess this approach, we compare classification performances of six machine learning algorithms and evaluate the model from the top-performing algorithm against the current state of the art in the field of contributor number classification. Overall results show over 98% accuracy in identifying the number of contributors in a DNA mixture of up to 4 contributors. Comparative results showed 3-person mixtures had a classification accuracy improvement of over 6% compared to the current best-in-field methodology, and that 4-person mixtures had a classification accuracy improvement of over 20%. The Probabilistic Assessment for Contributor Estimation (PACE) also accomplishes classification of mixtures of up to 4 contributors in less than 1s using a standard laptop or desktop computer. Considering the high classification accuracy rates, as well as the significant time commitment required by the current state of the art model versus seconds required by a machine learning-derived model, the approach described herein provides a promising means of estimating the number of contributors and, subsequently, will lead to improved DNA mixture interpretation. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Machine learning: a useful radiological adjunct in determination of a newly diagnosed glioma's grade and IDH status.

PubMed

De Looze, Céline; Beausang, Alan; Cryan, Jane; Loftus, Teresa; Buckley, Patrick G; Farrell, Michael; Looby, Seamus; Reilly, Richard; Brett, Francesca; Kearney, Hugh

2018-05-16

Machine learning methods have been introduced as a computer aided diagnostic tool, with applications to glioma characterisation on MRI. Such an algorithmic approach may provide a useful adjunct for a rapid and accurate diagnosis of a glioma. The aim of this study is to devise a machine learning algorithm that may be used by radiologists in routine practice to aid diagnosis of both: WHO grade and IDH mutation status in de novo gliomas. To evaluate the status quo, we interrogated the accuracy of neuroradiology reports in relation to WHO grade: grade II 96.49% (95% confidence intervals [CI] 0.88, 0.99); III 36.51% (95% CI 0.24, 0.50); IV 72.9% (95% CI 0.67, 0.78). We derived five MRI parameters from the same diagnostic brain scans, in under two minutes per case, and then supplied these data to a random forest algorithm. Machine learning resulted in a high level of accuracy in prediction of tumour grade: grade II/III; area under the receiver operating characteristic curve (AUC) = 98%, sensitivity = 0.82, specificity = 0.94; grade II/IV; AUC = 100%, sensitivity = 1.0, specificity = 1.0; grade III/IV; AUC = 97%, sensitivity = 0.83, specificity = 0.97. Furthermore, machine learning also facilitated the discrimination of IDH status: AUC of 88%, sensitivity = 0.81, specificity = 0.77. These data demonstrate the ability of machine learning to accurately classify diffuse gliomas by both WHO grade and IDH status from routine MRI alone-without significant image processing, which may facilitate usage as a diagnostic adjunct in clinical practice.

Deep convolutional neural networks for classifying GPR B-scans

NASA Astrophysics Data System (ADS)

Besaw, Lance E.; Stimac, Philip J.

2015-05-01

Symmetric and asymmetric buried explosive hazards (BEHs) present real, persistent, deadly threats on the modern battlefield. Current approaches to mitigate these threats rely on highly trained operatives to reliably detect BEHs with reasonable false alarm rates using handheld Ground Penetrating Radar (GPR) and metal detectors. As computers become smaller, faster and more efficient, there exists greater potential for automated threat detection based on state-of-the-art machine learning approaches, reducing the burden on the field operatives. Recent advancements in machine learning, specifically deep learning artificial neural networks, have led to significantly improved performance in pattern recognition tasks, such as object classification in digital images. Deep convolutional neural networks (CNNs) are used in this work to extract meaningful signatures from 2-dimensional (2-D) GPR B-scans and classify threats. The CNNs skip the traditional "feature engineering" step often associated with machine learning, and instead learn the feature representations directly from the 2-D data. A multi-antennae, handheld GPR with centimeter-accurate positioning data was used to collect shallow subsurface data over prepared lanes containing a wide range of BEHs. Several heuristics were used to prevent over-training, including cross validation, network weight regularization, and "dropout." Our results show that CNNs can extract meaningful features and accurately classify complex signatures contained in GPR B-scans, complementing existing GPR feature extraction and classification techniques.

Analysis of cytokine release assay data using machine learning approaches.

PubMed

Xiong, Feiyu; Janko, Marco; Walker, Mindi; Makropoulos, Dorie; Weinstock, Daniel; Kam, Moshe; Hrebien, Leonid

2014-10-01

The possible onset of Cytokine Release Syndrome (CRS) is an important consideration in the development of monoclonal antibody (mAb) therapeutics. In this study, several machine learning approaches are used to analyze CRS data. The analyzed data come from a human blood in vitro assay which was used to assess the potential of mAb-based therapeutics to produce cytokine release similar to that induced by Anti-CD28 superagonistic (Anti-CD28 SA) mAbs. The data contain 7 mAbs and two negative controls, a total of 423 samples coming from 44 donors. Three (3) machine learning approaches were applied in combination to observations obtained from that assay, namely (i) Hierarchical Cluster Analysis (HCA); (ii) Principal Component Analysis (PCA) followed by K-means clustering; and (iii) Decision Tree Classification (DTC). All three approaches were able to identify the treatment that caused the most severe cytokine response. HCA was able to provide information about the expected number of clusters in the data. PCA coupled with K-means clustering allowed classification of treatments sample by sample, and visualizing clusters of treatments. DTC models showed the relative importance of various cytokines such as IFN-γ, TNF-α and IL-10 to CRS. The use of these approaches in tandem provides better selection of parameters for one method based on outcomes from another, and an overall improved analysis of the data through complementary approaches. Moreover, the DTC analysis showed in addition that IL-17 may be correlated with CRS reactions, although this correlation has not yet been corroborated in the literature. Copyright © 2014 Elsevier B.V. All rights reserved.

Machine learning–enabled identification of material phase transitions based on experimental data: Exploring collective dynamics in ferroelectric relaxors

DOE PAGES

Li, Linglong; Yang, Yaodong; Zhang, Dawei; ...

2018-03-30

Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describingmore » relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. Finally, these results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.« less

Machine learning–enabled identification of material phase transitions based on experimental data: Exploring collective dynamics in ferroelectric relaxors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Linglong; Yang, Yaodong; Zhang, Dawei

Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describingmore » relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. Finally, these results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.« less

Machine learning on brain MRI data for differential diagnosis of Parkinson's disease and Progressive Supranuclear Palsy.

PubMed

Salvatore, C; Cerasa, A; Castiglioni, I; Gallivanone, F; Augimeri, A; Lopez, M; Arabia, G; Morelli, M; Gilardi, M C; Quattrone, A

2014-01-30

Supervised machine learning has been proposed as a revolutionary approach for identifying sensitive medical image biomarkers (or combination of them) allowing for automatic diagnosis of individual subjects. The aim of this work was to assess the feasibility of a supervised machine learning algorithm for the assisted diagnosis of patients with clinically diagnosed Parkinson's disease (PD) and Progressive Supranuclear Palsy (PSP). Morphological T1-weighted Magnetic Resonance Images (MRIs) of PD patients (28), PSP patients (28) and healthy control subjects (28) were used by a supervised machine learning algorithm based on the combination of Principal Components Analysis as feature extraction technique and on Support Vector Machines as classification algorithm. The algorithm was able to obtain voxel-based morphological biomarkers of PD and PSP. The algorithm allowed individual diagnosis of PD versus controls, PSP versus controls and PSP versus PD with an Accuracy, Specificity and Sensitivity>90%. Voxels influencing classification between PD and PSP patients involved midbrain, pons, corpus callosum and thalamus, four critical regions known to be strongly involved in the pathophysiological mechanisms of PSP. Classification accuracy of individual PSP patients was consistent with previous manual morphological metrics and with other supervised machine learning application to MRI data, whereas accuracy in the detection of individual PD patients was significantly higher with our classification method. The algorithm provides excellent discrimination of PD patients from PSP patients at an individual level, thus encouraging the application of computer-based diagnosis in clinical practice. Copyright © 2013 Elsevier B.V. All rights reserved.

Splendidly blended: a machine learning set up for CDU control

NASA Astrophysics Data System (ADS)

Utzny, Clemens

2017-06-01

As the concepts of machine learning and artificial intelligence continue to grow in importance in the context of internet related applications it is still in its infancy when it comes to process control within the semiconductor industry. Especially the branch of mask manufacturing presents a challenge to the concepts of machine learning since the business process intrinsically induces pronounced product variability on the background of small plate numbers. In this paper we present the architectural set up of a machine learning algorithm which successfully deals with the demands and pitfalls of mask manufacturing. A detailed motivation of this basic set up followed by an analysis of its statistical properties is given. The machine learning set up for mask manufacturing involves two learning steps: an initial step which identifies and classifies the basic global CD patterns of a process. These results form the basis for the extraction of an optimized training set via balanced sampling. A second learning step uses this training set to obtain the local as well as global CD relationships induced by the manufacturing process. Using two production motivated examples we show how this approach is flexible and powerful enough to deal with the exacting demands of mask manufacturing. In one example we show how dedicated covariates can be used in conjunction with increased spatial resolution of the CD map model in order to deal with pathological CD effects at the mask boundary. The other example shows how the model set up enables strategies for dealing tool specific CD signature differences. In this case the balanced sampling enables a process control scheme which allows usage of the full tool park within the specified tight tolerance budget. Overall, this paper shows that the current rapid developments off the machine learning algorithms can be successfully used within the context of semiconductor manufacturing.

Quantum-Assisted Learning of Hardware-Embedded Probabilistic Graphical Models

NASA Astrophysics Data System (ADS)

Benedetti, Marcello; Realpe-Gómez, John; Biswas, Rupak; Perdomo-Ortiz, Alejandro

2017-10-01

Mainstream machine-learning techniques such as deep learning and probabilistic programming rely heavily on sampling from generally intractable probability distributions. There is increasing interest in the potential advantages of using quantum computing technologies as sampling engines to speed up these tasks or to make them more effective. However, some pressing challenges in state-of-the-art quantum annealers have to be overcome before we can assess their actual performance. The sparse connectivity, resulting from the local interaction between quantum bits in physical hardware implementations, is considered the most severe limitation to the quality of constructing powerful generative unsupervised machine-learning models. Here, we use embedding techniques to add redundancy to data sets, allowing us to increase the modeling capacity of quantum annealers. We illustrate our findings by training hardware-embedded graphical models on a binarized data set of handwritten digits and two synthetic data sets in experiments with up to 940 quantum bits. Our model can be trained in quantum hardware without full knowledge of the effective parameters specifying the corresponding quantum Gibbs-like distribution; therefore, this approach avoids the need to infer the effective temperature at each iteration, speeding up learning; it also mitigates the effect of noise in the control parameters, making it robust to deviations from the reference Gibbs distribution. Our approach demonstrates the feasibility of using quantum annealers for implementing generative models, and it provides a suitable framework for benchmarking these quantum technologies on machine-learning-related tasks.

Kepler-90 system (Artist's Concept)

NASA Image and Video Library

2017-12-14

Our solar system now is tied for most number of planets around a single star, with the recent discovery of an eighth planet circling Kepler-90, a Sun-like star 2,545 light years from Earth. The planet was discovered in data from NASA's Kepler Space Telescope. The newly-discovered Kepler-90i -- a sizzling hot, rocky planet that orbits its star once every 14.4 days -- was found using machine learning from Google. Machine learning is an approach to artificial intelligence in which computers "learn." In this case, computers learned to identify planets by finding in Kepler data instances where the telescope recorded changes in starlight caused by planets beyond our solar system, known as exoplanets. https://photojournal.jpl.nasa.gov/catalog/PIA22192

Prediction of Skin Sensitization Potency Using Machine Learning Approaches

EPA Science Inventory

Replacing animal tests currently used for regulatory hazard classification of skin sensitizers is one of ICCVAM’s top priorities. Accordingly, U.S. federal agency scientists are developing and evaluating computational approaches to classify substances as sensitizers or nons...

Using Machine Learning in Adversarial Environments.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren Leon Davis

Intrusion/anomaly detection systems are among the first lines of cyber defense. Commonly, they either use signatures or machine learning (ML) to identify threats, but fail to account for sophisticated attackers trying to circumvent them. We propose to embed machine learning within a game theoretic framework that performs adversarial modeling, develops methods for optimizing operational response based on ML, and integrates the resulting optimization codebase into the existing ML infrastructure developed by the Hybrid LDRD. Our approach addresses three key shortcomings of ML in adversarial settings: 1) resulting classifiers are typically deterministic and, therefore, easy to reverse engineer; 2) ML approachesmore » only address the prediction problem, but do not prescribe how one should operationalize predictions, nor account for operational costs and constraints; and 3) ML approaches do not model attackers’ response and can be circumvented by sophisticated adversaries. The principal novelty of our approach is to construct an optimization framework that blends ML, operational considerations, and a model predicting attackers reaction, with the goal of computing optimal moving target defense. One important challenge is to construct a realistic model of an adversary that is tractable, yet realistic. We aim to advance the science of attacker modeling by considering game-theoretic methods, and by engaging experimental subjects with red teaming experience in trying to actively circumvent an intrusion detection system, and learning a predictive model of such circumvention activities. In addition, we will generate metrics to test that a particular model of an adversary is consistent with available data.« less

A hybrid training approach for leaf area index estimation via Cubist and random forests machine-learning

NASA Astrophysics Data System (ADS)

Houborg, Rasmus; McCabe, Matthew F.

2018-01-01

With an increasing volume and dimensionality of Earth observation data, enhanced integration of machine-learning methodologies is needed to effectively analyze and utilize these information rich datasets. In machine-learning, a training dataset is required to establish explicit associations between a suite of explanatory 'predictor' variables and the target property. The specifics of this learning process can significantly influence model validity and portability, with a higher generalization level expected with an increasing number of observable conditions being reflected in the training dataset. Here we propose a hybrid training approach for leaf area index (LAI) estimation, which harnesses synergistic attributes of scattered in-situ measurements and systematically distributed physically based model inversion results to enhance the information content and spatial representativeness of the training data. To do this, a complimentary training dataset of independent LAI was derived from a regularized model inversion of RapidEye surface reflectances and subsequently used to guide the development of LAI regression models via Cubist and random forests (RF) decision tree methods. The application of the hybrid training approach to a broad set of Landsat 8 vegetation index (VI) predictor variables resulted in significantly improved LAI prediction accuracies and spatial consistencies, relative to results relying on in-situ measurements alone for model training. In comparing the prediction capacity and portability of the two machine-learning algorithms, a pair of relatively simple multi-variate regression models established by Cubist performed best, with an overall relative mean absolute deviation (rMAD) of ∼11%, determined based on a stringent scene-specific cross-validation approach. In comparison, the portability of RF regression models was less effective (i.e., an overall rMAD of ∼15%), which was attributed partly to model saturation at high LAI in association with inherent extrapolation and transferability limitations. Explanatory VIs formed from bands in the near-infrared (NIR) and shortwave infrared domains (e.g., NDWI) were associated with the highest predictive ability, whereas Cubist models relying entirely on VIs based on NIR and red band combinations (e.g., NDVI) were associated with comparatively high uncertainties (i.e., rMAD ∼ 21%). The most transferable and best performing models were based on combinations of several predictor variables, which included both NDWI- and NDVI-like variables. In this process, prior screening of input VIs based on an assessment of variable relevance served as an effective mechanism for optimizing prediction accuracies from both Cubist and RF. While this study demonstrated benefit in combining data mining operations with physically based constraints via a hybrid training approach, the concept of transferability and portability warrants further investigations in order to realize the full potential of emerging machine-learning techniques for regression purposes.

Meta-cognitive online sequential extreme learning machine for imbalanced and concept-drifting data classification.

PubMed

Mirza, Bilal; Lin, Zhiping

2016-08-01

In this paper, a meta-cognitive online sequential extreme learning machine (MOS-ELM) is proposed for class imbalance and concept drift learning. In MOS-ELM, meta-cognition is used to self-regulate the learning by selecting suitable learning strategies for class imbalance and concept drift problems. MOS-ELM is the first sequential learning method to alleviate the imbalance problem for both binary class and multi-class data streams with concept drift. In MOS-ELM, a new adaptive window approach is proposed for concept drift learning. A single output update equation is also proposed which unifies various application specific OS-ELM methods. The performance of MOS-ELM is evaluated under different conditions and compared with methods each specific to some of the conditions. On most of the datasets in comparison, MOS-ELM outperforms the competing methods. Copyright © 2016 Elsevier Ltd. All rights reserved.

Aquatic Toxic Analysis by Monitoring Fish Behavior Using Computer Vision: A Recent Progress

PubMed Central

Fu, Longwen; Liu, Zuoyi

2018-01-01

Video tracking based biological early warning system achieved a great progress with advanced computer vision and machine learning methods. Ability of video tracking of multiple biological organisms has been largely improved in recent years. Video based behavioral monitoring has become a common tool for acquiring quantified behavioral data for aquatic risk assessment. Investigation of behavioral responses under chemical and environmental stress has been boosted by rapidly developed machine learning and artificial intelligence. In this paper, we introduce the fundamental of video tracking and present the pioneer works in precise tracking of a group of individuals in 2D and 3D space. Technical and practical issues suffered in video tracking are explained. Subsequently, the toxic analysis based on fish behavioral data is summarized. Frequently used computational methods and machine learning are explained with their applications in aquatic toxicity detection and abnormal pattern analysis. Finally, advantages of recent developed deep learning approach in toxic prediction are presented. PMID:29849612

A Developmental Approach to Machine Learning?

PubMed Central

Smith, Linda B.; Slone, Lauren K.

2017-01-01

Visual learning depends on both the algorithms and the training material. This essay considers the natural statistics of infant- and toddler-egocentric vision. These natural training sets for human visual object recognition are very different from the training data fed into machine vision systems. Rather than equal experiences with all kinds of things, toddlers experience extremely skewed distributions with many repeated occurrences of a very few things. And though highly variable when considered as a whole, individual views of things are experienced in a specific order – with slow, smooth visual changes moment-to-moment, and developmentally ordered transitions in scene content. We propose that the skewed, ordered, biased visual experiences of infants and toddlers are the training data that allow human learners to develop a way to recognize everything, both the pervasively present entities and the rarely encountered ones. The joint consideration of real-world statistics for learning by researchers of human and machine learning seems likely to bring advances in both disciplines. PMID:29259573

A machine learning approach to computer-aided molecular design

NASA Astrophysics Data System (ADS)

Bolis, Giorgio; Di Pace, Luigi; Fabrocini, Filippo

1991-12-01

Preliminary results of a machine learning application concerning computer-aided molecular design applied to drug discovery are presented. The artificial intelligence techniques of machine learning use a sample of active and inactive compounds, which is viewed as a set of positive and negative examples, to allow the induction of a molecular model characterizing the interaction between the compounds and a target molecule. The algorithm is based on a twofold phase. In the first one — the specialization step — the program identifies a number of active/inactive pairs of compounds which appear to be the most useful in order to make the learning process as effective as possible and generates a dictionary of molecular fragments, deemed to be responsible for the activity of the compounds. In the second phase — the generalization step — the fragments thus generated are combined and generalized in order to select the most plausible hypothesis with respect to the sample of compounds. A knowledge base concerning physical and chemical properties is utilized during the inductive process.

Imaging and machine learning techniques for diagnosis of Alzheimer's disease.

PubMed

Mirzaei, Golrokh; Adeli, Anahita; Adeli, Hojjat

2016-12-01

Alzheimer's disease (AD) is a common health problem in elderly people. There has been considerable research toward the diagnosis and early detection of this disease in the past decade. The sensitivity of biomarkers and the accuracy of the detection techniques have been defined to be the key to an accurate diagnosis. This paper presents a state-of-the-art review of the research performed on the diagnosis of AD based on imaging and machine learning techniques. Different segmentation and machine learning techniques used for the diagnosis of AD are reviewed including thresholding, supervised and unsupervised learning, probabilistic techniques, Atlas-based approaches, and fusion of different image modalities. More recent and powerful classification techniques such as the enhanced probabilistic neural network of Ahmadlou and Adeli should be investigated with the goal of improving the diagnosis accuracy. A combination of different image modalities can help improve the diagnosis accuracy rate. Research is needed on the combination of modalities to discover multi-modal biomarkers.

Charting the energy landscape of metal/organic interfaces via machine learning

NASA Astrophysics Data System (ADS)

Scherbela, Michael; Hörmann, Lukas; Jeindl, Andreas; Obersteiner, Veronika; Hofmann, Oliver T.

2018-04-01

The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. In this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. We demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

Charting the energy landscape of metal/organic interfaces via machine learning

DOE PAGES

Scherbela, Michael; Hormann, Lukas; Jeindl, Andreas; ...

2018-04-17

The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. Here in this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. Finally, we demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

Charting the energy landscape of metal/organic interfaces via machine learning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scherbela, Michael; Hormann, Lukas; Jeindl, Andreas

The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. Here in this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. Finally, we demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

An Imager Gaussian Process Machine Learning Methodology for Cloud Thermodynamic Phase classification

NASA Astrophysics Data System (ADS)

Marchant, B.; Platnick, S. E.; Meyer, K.

2017-12-01

The determination of cloud thermodynamic phase from MODIS and VIIRS instruments is an important first step in cloud optical retrievals, since ice and liquid clouds have different optical properties. To continue improving the cloud thermodynamic phase classification algorithm, a machine-learning approach, based on Gaussian processes, has been developed. The new proposed methodology provides cloud phase uncertainty quantification and improves the algorithm portability between MODIS and VIIRS. We will present new results, through comparisons between MODIS and CALIOP v4, and for VIIRS as well.

Classifying BCI signals from novice users with extreme learning machine

NASA Astrophysics Data System (ADS)

Rodríguez-Bermúdez, Germán; Bueno-Crespo, Andrés; José Martinez-Albaladejo, F.

2017-07-01

Brain computer interface (BCI) allows to control external devices only with the electrical activity of the brain. In order to improve the system, several approaches have been proposed. However it is usual to test algorithms with standard BCI signals from experts users or from repositories available on Internet. In this work, extreme learning machine (ELM) has been tested with signals from 5 novel users to compare with standard classification algorithms. Experimental results show that ELM is a suitable method to classify electroencephalogram signals from novice users.

Fiber tractography using machine learning.

PubMed

Neher, Peter F; Côté, Marc-Alexandre; Houde, Jean-Christophe; Descoteaux, Maxime; Maier-Hein, Klaus H

2017-09-01

We present a fiber tractography approach based on a random forest classification and voting process, guiding each step of the streamline progression by directly processing raw diffusion-weighted signal intensities. For comparison to the state-of-the-art, i.e. tractography pipelines that rely on mathematical modeling, we performed a quantitative and qualitative evaluation with multiple phantom and in vivo experiments, including a comparison to the 96 submissions of the ISMRM tractography challenge 2015. The results demonstrate the vast potential of machine learning for fiber tractography. Copyright © 2017 Elsevier Inc. All rights reserved.

Live animal assessments of rump fat and muscle score in Angus cows and steers using 3-dimensional imaging.

PubMed

McPhee, M J; Walmsley, B J; Skinner, B; Littler, B; Siddell, J P; Cafe, L M; Wilkins, J F; Oddy, V H; Alempijevic, A

2017-04-01

The objective of this study was to develop a proof of concept for using off-the-shelf Red Green Blue-Depth (RGB-D) Microsoft Kinect cameras to objectively assess P8 rump fat (P8 fat; mm) and muscle score (MS) traits in Angus cows and steers. Data from low and high muscled cattle (156 cows and 79 steers) were collected at multiple locations and time points. The following steps were required for the 3-dimensional (3D) image data and subsequent machine learning techniques to learn the traits: 1) reduce the high dimensionality of the point cloud data by extracting features from the input signals to produce a compact and representative feature vector, 2) perform global optimization of the signatures using machine learning algorithms and a parallel genetic algorithm, and 3) train a sensor model using regression-supervised learning techniques on the ultrasound P8 fat and the classified learning techniques for the assessed MS for each animal in the data set. The correlation of estimating hip height (cm) between visually measured and assessed 3D data from RGB-D cameras on cows and steers was 0.75 and 0.90, respectively. The supervised machine learning and global optimization approach correctly classified MS (mean [SD]) 80 (4.7) and 83% [6.6%] for cows and steers, respectively. Kappa tests of MS were 0.74 and 0.79 in cows and steers, respectively, indicating substantial agreement between visual assessment and the learning approaches of RGB-D camera images. A stratified 10-fold cross-validation for P8 fat did not find any differences in the mean bias ( = 0.62 and = 0.42 for cows and steers, respectively). The root mean square error of P8 fat was 1.54 and 1.00 mm for cows and steers, respectively. Additional data is required to strengthen the capacity of machine learning to estimate measured P8 fat and assessed MS. Data sets for and continental cattle are also required to broaden the use of 3D cameras to assess cattle. The results demonstrate the importance of capturing curvature as a form of representing body shape. A data-driven model from shape to trait has established a proof of concept using optimized machine learning techniques to assess P8 fat and MS in Angus cows and steers.

ROOFN3D: Deep Learning Training Data for 3d Building Reconstruction

NASA Astrophysics Data System (ADS)

Wichmann, A.; Agoub, A.; Kada, M.

2018-05-01

Machine learning methods have gained in importance through the latest development of artificial intelligence and computer hardware. Particularly approaches based on deep learning have shown that they are able to provide state-of-the-art results for various tasks. However, the direct application of deep learning methods to improve the results of 3D building reconstruction is often not possible due, for example, to the lack of suitable training data. To address this issue, we present RoofN3D which provides a new 3D point cloud training dataset that can be used to train machine learning models for different tasks in the context of 3D building reconstruction. It can be used, among others, to train semantic segmentation networks or to learn the structure of buildings and the geometric model construction. Further details about RoofN3D and the developed data preparation framework, which enables the automatic derivation of training data, are described in this paper. Furthermore, we provide an overview of other available 3D point cloud training data and approaches from current literature in which solutions for the application of deep learning to unstructured and not gridded 3D point cloud data are presented.

A machine-learning approach for computation of fractional flow reserve from coronary computed tomography.

PubMed

Itu, Lucian; Rapaka, Saikiran; Passerini, Tiziano; Georgescu, Bogdan; Schwemmer, Chris; Schoebinger, Max; Flohr, Thomas; Sharma, Puneet; Comaniciu, Dorin

2016-07-01

Fractional flow reserve (FFR) is a functional index quantifying the severity of coronary artery lesions and is clinically obtained using an invasive, catheter-based measurement. Recently, physics-based models have shown great promise in being able to noninvasively estimate FFR from patient-specific anatomical information, e.g., obtained from computed tomography scans of the heart and the coronary arteries. However, these models have high computational demand, limiting their clinical adoption. In this paper, we present a machine-learning-based model for predicting FFR as an alternative to physics-based approaches. The model is trained on a large database of synthetically generated coronary anatomies, where the target values are computed using the physics-based model. The trained model predicts FFR at each point along the centerline of the coronary tree, and its performance was assessed by comparing the predictions against physics-based computations and against invasively measured FFR for 87 patients and 125 lesions in total. Correlation between machine-learning and physics-based predictions was excellent (0.9994, P < 0.001), and no systematic bias was found in Bland-Altman analysis: mean difference was -0.00081 ± 0.0039. Invasive FFR ≤ 0.80 was found in 38 lesions out of 125 and was predicted by the machine-learning algorithm with a sensitivity of 81.6%, a specificity of 83.9%, and an accuracy of 83.2%. The correlation was 0.729 (P < 0.001). Compared with the physics-based computation, average execution time was reduced by more than 80 times, leading to near real-time assessment of FFR. Average execution time went down from 196.3 ± 78.5 s for the CFD model to ∼2.4 ± 0.44 s for the machine-learning model on a workstation with 3.4-GHz Intel i7 8-core processor. Copyright © 2016 the American Physiological Society.

Data Mining and Machine Learning Models for Predicting Drug Likeness and their Disease or Organ Category

NASA Astrophysics Data System (ADS)

Yosipof, Abraham; Guedes, Rita C.; García-Sosa, Alfonso T.

2018-05-01

Data mining approaches can uncover underlying patterns in chemical and pharmacological property space decisive for drug discovery and development. Two of the most common approaches are visualization and machine learning methods. Visualization methods use dimensionality reduction techniques in order to reduce multi-dimension data into 2D or 3D representations with a minimal loss of information. Machine learning attempts to find correlations between specific activities or classifications for a set of compounds and their features by means of recurring mathematical models. Both models take advantage of the different and deep relationships that can exist between features of compounds, and helpfully provide classification of compounds based on such features. Drug-likeness has been studied from several viewpoints, but here we provide the first implementation in chemoinformatics of the t-Distributed Stochastic Neighbor Embedding (t-SNE) method for the visualization and the representation of chemical space, and the use of different machine learning methods separately and together to form a new ensemble learning method called AL Boost. The models obtained from AL Boost synergistically combine decision tree, random forests (RF), support vector machine (SVM), artificial neuronal network (ANN), k nearest neighbors (kNN), and logistic regression models. In this work, we show that together they form a predictive model that not only improves the predictive force but also decreases bias. This resulted in a corrected classification rate of over 0.81, as well as higher sensitivity and specificity rates for the models. In addition, separation and good models were also achieved for disease categories such as antineoplastic compounds and nervous system diseases, among others. Such models can be used to guide decision on the feature landscape of compounds and their likeness to either drugs or other characteristics, such as specific or multiple disease-category(ies) or organ(s) of action of a molecule.

Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category.

PubMed

Yosipof, Abraham; Guedes, Rita C; García-Sosa, Alfonso T

2018-01-01

Data mining approaches can uncover underlying patterns in chemical and pharmacological property space decisive for drug discovery and development. Two of the most common approaches are visualization and machine learning methods. Visualization methods use dimensionality reduction techniques in order to reduce multi-dimension data into 2D or 3D representations with a minimal loss of information. Machine learning attempts to find correlations between specific activities or classifications for a set of compounds and their features by means of recurring mathematical models. Both models take advantage of the different and deep relationships that can exist between features of compounds, and helpfully provide classification of compounds based on such features or in case of visualization methods uncover underlying patterns in the feature space. Drug-likeness has been studied from several viewpoints, but here we provide the first implementation in chemoinformatics of the t-Distributed Stochastic Neighbor Embedding (t-SNE) method for the visualization and the representation of chemical space, and the use of different machine learning methods separately and together to form a new ensemble learning method called AL Boost. The models obtained from AL Boost synergistically combine decision tree, random forests (RF), support vector machine (SVM), artificial neural network (ANN), k nearest neighbors (kNN), and logistic regression models. In this work, we show that together they form a predictive model that not only improves the predictive force but also decreases bias. This resulted in a corrected classification rate of over 0.81, as well as higher sensitivity and specificity rates for the models. In addition, separation and good models were also achieved for disease categories such as antineoplastic compounds and nervous system diseases, among others. Such models can be used to guide decision on the feature landscape of compounds and their likeness to either drugs or other characteristics, such as specific or multiple disease-category(ies) or organ(s) of action of a molecule.

A Transfer Learning Approach for Applying Matrix Factorization to Small ITS Datasets

ERIC Educational Resources Information Center

Voß, Lydia; Schatten, Carlotta; Mazziotti, Claudia; Schmidt-Thieme, Lars

2015-01-01

Machine Learning methods for Performance Prediction in Intelligent Tutoring Systems (ITS) have proven their efficacy; specific methods, e.g. Matrix Factorization (MF), however suffer from the lack of available information about new tasks or new students. In this paper we show how this problem could be solved by applying Transfer Learning (TL),…

A Machine Learning Approach to Investigating the Effects of Mathematics Dispositions on Mathematical Literacy

ERIC Educational Resources Information Center

Gabriel, Florence; Signolet, Jason; Westwell, Martin

2018-01-01

Mathematics competency is fast becoming an essential requirement in ever greater parts of day-to-day work and life. Thus, creating strategies for improving mathematics learning in students is a major goal of education research. However, doing so requires an ability to look at many aspects of mathematics learning, such as demographics and…

Information Acquisition, Analysis and Integration

DTIC Science & Technology

2016-08-03

of sensing and processing, theory, applications, signal processing, image and video processing, machine learning , technology transfer. 16. SECURITY... learning . 5. Solved elegantly old problems like image and video debluring, intro- ducing new revolutionary approaches. 1 DISTRIBUTION A: Distribution...Polatkan, G. Sapiro, D. Blei, D. B. Dunson, and L. Carin, “ Deep learning with hierarchical convolution factor analysis,” IEEE 6 DISTRIBUTION A

Cognitive Support Embedded in Self-Regulated E-Learning Systems for Students with Special Learning Needs

ERIC Educational Resources Information Center

Chatzara, K.; Karagiannidis, C.; Stamatis, D.

2016-01-01

This paper presents an anthropocentric approach in human-machine interaction in the area of self-regulated e-learning. In an attempt to enhance communication mediated through computers for pedagogical use we propose the incorporation of an intelligent emotional agent that is represented by a synthetic character with multimedia capabilities,…

A computational visual saliency model based on statistics and machine learning.

PubMed

Lin, Ru-Je; Lin, Wei-Song

2014-08-01

Identifying the type of stimuli that attracts human visual attention has been an appealing topic for scientists for many years. In particular, marking the salient regions in images is useful for both psychologists and many computer vision applications. In this paper, we propose a computational approach for producing saliency maps using statistics and machine learning methods. Based on four assumptions, three properties (Feature-Prior, Position-Prior, and Feature-Distribution) can be derived and combined by a simple intersection operation to obtain a saliency map. These properties are implemented by a similarity computation, support vector regression (SVR) technique, statistical analysis of training samples, and information theory using low-level features. This technique is able to learn the preferences of human visual behavior while simultaneously considering feature uniqueness. Experimental results show that our approach performs better in predicting human visual attention regions than 12 other models in two test databases. © 2014 ARVO.

Building of fuzzy decision trees using ID3 algorithm

NASA Astrophysics Data System (ADS)

Begenova, S. B.; Avdeenko, T. V.

2018-05-01

Decision trees are widely used in the field of machine learning and artificial intelligence. Such popularity is due to the fact that with the help of decision trees graphic models, text rules can be built and they are easily understood by the final user. Because of the inaccuracy of observations, uncertainties, the data, collected in the environment, often take an unclear form. Therefore, fuzzy decision trees becoming popular in the field of machine learning. This article presents a method that includes the features of the two above-mentioned approaches: a graphical representation of the rules system in the form of a tree and a fuzzy representation of the data. The approach uses such advantages as high comprehensibility of decision trees and the ability to cope with inaccurate and uncertain information in fuzzy representation. The received learning method is suitable for classifying problems with both numerical and symbolic features. In the article, solution illustrations and numerical results are given.

Machine Learning in Computer-Aided Synthesis Planning.

PubMed

Coley, Connor W; Green, William H; Jensen, Klavs F

2018-05-15

Computer-aided synthesis planning (CASP) is focused on the goal of accelerating the process by which chemists decide how to synthesize small molecule compounds. The ideal CASP program would take a molecular structure as input and output a sorted list of detailed reaction schemes that each connect that target to purchasable starting materials via a series of chemically feasible reaction steps. Early work in this field relied on expert-crafted reaction rules and heuristics to describe possible retrosynthetic disconnections and selectivity rules but suffered from incompleteness, infeasible suggestions, and human bias. With the relatively recent availability of large reaction corpora (such as the United States Patent and Trademark Office (USPTO), Reaxys, and SciFinder databases), consisting of millions of tabulated reaction examples, it is now possible to construct and validate purely data-driven approaches to synthesis planning. As a result, synthesis planning has been opened to machine learning techniques, and the field is advancing rapidly. In this Account, we focus on two critical aspects of CASP and recent machine learning approaches to both challenges. First, we discuss the problem of retrosynthetic planning, which requires a recommender system to propose synthetic disconnections starting from a target molecule. We describe how the search strategy, necessary to overcome the exponential growth of the search space with increasing number of reaction steps, can be assisted through a learned synthetic complexity metric. We also describe how the recursive expansion can be performed by a straightforward nearest neighbor model that makes clever use of reaction data to generate high quality retrosynthetic disconnections. Second, we discuss the problem of anticipating the products of chemical reactions, which can be used to validate proposed reactions in a computer-generated synthesis plan (i.e., reduce false positives) to increase the likelihood of experimental success. While we introduce this task in the context of reaction validation, its utility extends to the prediction of side products and impurities, among other applications. We describe neural network-based approaches that we and others have developed for this forward prediction task that can be trained on previously published experimental data. Machine learning and artificial intelligence have revolutionized a number of disciplines, not limited to image recognition, dictation, translation, content recommendation, advertising, and autonomous driving. While there is a rich history of using machine learning for structure-activity models in chemistry, it is only now that it is being successfully applied more broadly to organic synthesis and synthesis design. As reported in this Account, machine learning is rapidly transforming CASP, but there are several remaining challenges and opportunities, many pertaining to the availability and standardization of both data and evaluation metrics, which must be addressed by the community at large.

Exploiting the Dynamics of Soft Materials for Machine Learning

PubMed Central

Hauser, Helmut; Li, Tao; Pfeifer, Rolf

2018-01-01

Abstract Soft materials are increasingly utilized for various purposes in many engineering applications. These materials have been shown to perform a number of functions that were previously difficult to implement using rigid materials. Here, we argue that the diverse dynamics generated by actuating soft materials can be effectively used for machine learning purposes. This is demonstrated using a soft silicone arm through a technique of multiplexing, which enables the rich transient dynamics of the soft materials to be fully exploited as a computational resource. The computational performance of the soft silicone arm is examined through two standard benchmark tasks. Results show that the soft arm compares well to or even outperforms conventional machine learning techniques under multiple conditions. We then demonstrate that this system can be used for the sensory time series prediction problem for the soft arm itself, which suggests its immediate applicability to a real-world machine learning problem. Our approach, on the one hand, represents a radical departure from traditional computational methods, whereas on the other hand, it fits nicely into a more general perspective of computation by way of exploiting the properties of physical materials in the real world. PMID:29708857

Exploiting the Dynamics of Soft Materials for Machine Learning.

PubMed

Nakajima, Kohei; Hauser, Helmut; Li, Tao; Pfeifer, Rolf

2018-06-01

Soft materials are increasingly utilized for various purposes in many engineering applications. These materials have been shown to perform a number of functions that were previously difficult to implement using rigid materials. Here, we argue that the diverse dynamics generated by actuating soft materials can be effectively used for machine learning purposes. This is demonstrated using a soft silicone arm through a technique of multiplexing, which enables the rich transient dynamics of the soft materials to be fully exploited as a computational resource. The computational performance of the soft silicone arm is examined through two standard benchmark tasks. Results show that the soft arm compares well to or even outperforms conventional machine learning techniques under multiple conditions. We then demonstrate that this system can be used for the sensory time series prediction problem for the soft arm itself, which suggests its immediate applicability to a real-world machine learning problem. Our approach, on the one hand, represents a radical departure from traditional computational methods, whereas on the other hand, it fits nicely into a more general perspective of computation by way of exploiting the properties of physical materials in the real world.

Automatic microseismic event picking via unsupervised machine learning

NASA Astrophysics Data System (ADS)

Chen, Yangkang

2018-01-01

Effective and efficient arrival picking plays an important role in microseismic and earthquake data processing and imaging. Widely used short-term-average long-term-average ratio (STA/LTA) based arrival picking algorithms suffer from the sensitivity to moderate-to-strong random ambient noise. To make the state-of-the-art arrival picking approaches effective, microseismic data need to be first pre-processed, for example, removing sufficient amount of noise, and second analysed by arrival pickers. To conquer the noise issue in arrival picking for weak microseismic or earthquake event, I leverage the machine learning techniques to help recognizing seismic waveforms in microseismic or earthquake data. Because of the dependency of supervised machine learning algorithm on large volume of well-designed training data, I utilize an unsupervised machine learning algorithm to help cluster the time samples into two groups, that is, waveform points and non-waveform points. The fuzzy clustering algorithm has been demonstrated to be effective for such purpose. A group of synthetic, real microseismic and earthquake data sets with different levels of complexity show that the proposed method is much more robust than the state-of-the-art STA/LTA method in picking microseismic events, even in the case of moderately strong background noise.

Application of Metamorphic Testing to Supervised Classifiers

PubMed Central

Xie, Xiaoyuan; Ho, Joshua; Kaiser, Gail; Xu, Baowen; Chen, Tsong Yueh

2010-01-01

Many applications in the field of scientific computing - such as computational biology, computational linguistics, and others - depend on Machine Learning algorithms to provide important core functionality to support solutions in the particular problem domains. However, it is difficult to test such applications because often there is no “test oracle” to indicate what the correct output should be for arbitrary input. To help address the quality of such software, in this paper we present a technique for testing the implementations of supervised machine learning classification algorithms on which such scientific computing software depends. Our technique is based on an approach called “metamorphic testing”, which has been shown to be effective in such cases. More importantly, we demonstrate that our technique not only serves the purpose of verification, but also can be applied in validation. In addition to presenting our technique, we describe a case study we performed on a real-world machine learning application framework, and discuss how programmers implementing machine learning algorithms can avoid the common pitfalls discovered in our study. We also discuss how our findings can be of use to other areas outside scientific computing, as well. PMID:21243103

Development of a machine learning potential for graphene

NASA Astrophysics Data System (ADS)

Rowe, Patrick; Csányi, Gábor; Alfè, Dario; Michaelides, Angelos

2018-02-01

We present an accurate interatomic potential for graphene, constructed using the Gaussian approximation potential (GAP) machine learning methodology. This GAP model obtains a faithful representation of a density functional theory (DFT) potential energy surface, facilitating highly accurate (approaching the accuracy of ab initio methods) molecular dynamics simulations. This is achieved at a computational cost which is orders of magnitude lower than that of comparable calculations which directly invoke electronic structure methods. We evaluate the accuracy of our machine learning model alongside that of a number of popular empirical and bond-order potentials, using both experimental and ab initio data as references. We find that whilst significant discrepancies exist between the empirical interatomic potentials and the reference data—and amongst the empirical potentials themselves—the machine learning model introduced here provides exemplary performance in all of the tested areas. The calculated properties include: graphene phonon dispersion curves at 0 K (which we predict with sub-meV accuracy), phonon spectra at finite temperature, in-plane thermal expansion up to 2500 K as compared to NPT ab initio molecular dynamics simulations and a comparison of the thermally induced dispersion of graphene Raman bands to experimental observations. We have made our potential freely available online at [http://www.libatoms.org].

Identifying Active Travel Behaviors in Challenging Environments Using GPS, Accelerometers, and Machine Learning Algorithms.

PubMed

Ellis, Katherine; Godbole, Suneeta; Marshall, Simon; Lanckriet, Gert; Staudenmayer, John; Kerr, Jacqueline

2014-01-01

Active travel is an important area in physical activity research, but objective measurement of active travel is still difficult. Automated methods to measure travel behaviors will improve research in this area. In this paper, we present a supervised machine learning method for transportation mode prediction from global positioning system (GPS) and accelerometer data. We collected a dataset of about 150 h of GPS and accelerometer data from two research assistants following a protocol of prescribed trips consisting of five activities: bicycling, riding in a vehicle, walking, sitting, and standing. We extracted 49 features from 1-min windows of this data. We compared the performance of several machine learning algorithms and chose a random forest algorithm to classify the transportation mode. We used a moving average output filter to smooth the output predictions over time. The random forest algorithm achieved 89.8% cross-validated accuracy on this dataset. Adding the moving average filter to smooth output predictions increased the cross-validated accuracy to 91.9%. Machine learning methods are a viable approach for automating measurement of active travel, particularly for measuring travel activities that traditional accelerometer data processing methods misclassify, such as bicycling and vehicle travel.

An immune-inspired semi-supervised algorithm for breast cancer diagnosis.

PubMed

Peng, Lingxi; Chen, Wenbin; Zhou, Wubai; Li, Fufang; Yang, Jin; Zhang, Jiandong

2016-10-01

Breast cancer is the most frequently and world widely diagnosed life-threatening cancer, which is the leading cause of cancer death among women. Early accurate diagnosis can be a big plus in treating breast cancer. Researchers have approached this problem using various data mining and machine learning techniques such as support vector machine, artificial neural network, etc. The computer immunology is also an intelligent method inspired by biological immune system, which has been successfully applied in pattern recognition, combination optimization, machine learning, etc. However, most of these diagnosis methods belong to a supervised diagnosis method. It is very expensive to obtain labeled data in biology and medicine. In this paper, we seamlessly integrate the state-of-the-art research on life science with artificial intelligence, and propose a semi-supervised learning algorithm to reduce the need for labeled data. We use two well-known benchmark breast cancer datasets in our study, which are acquired from the UCI machine learning repository. Extensive experiments are conducted and evaluated on those two datasets. Our experimental results demonstrate the effectiveness and efficiency of our proposed algorithm, which proves that our algorithm is a promising automatic diagnosis method for breast cancer. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Identifying children with autism spectrum disorder based on their face processing abnormality: A machine learning framework.

PubMed

Liu, Wenbo; Li, Ming; Yi, Li

2016-08-01

The atypical face scanning patterns in individuals with Autism Spectrum Disorder (ASD) has been repeatedly discovered by previous research. The present study examined whether their face scanning patterns could be potentially useful to identify children with ASD by adopting the machine learning algorithm for the classification purpose. Particularly, we applied the machine learning method to analyze an eye movement dataset from a face recognition task [Yi et al., 2016], to classify children with and without ASD. We evaluated the performance of our model in terms of its accuracy, sensitivity, and specificity of classifying ASD. Results indicated promising evidence for applying the machine learning algorithm based on the face scanning patterns to identify children with ASD, with a maximum classification accuracy of 88.51%. Nevertheless, our study is still preliminary with some constraints that may apply in the clinical practice. Future research should shed light on further valuation of our method and contribute to the development of a multitask and multimodel approach to aid the process of early detection and diagnosis of ASD. Autism Res 2016, 9: 888-898. © 2016 International Society for Autism Research, Wiley Periodicals, Inc. © 2016 International Society for Autism Research, Wiley Periodicals, Inc.

Toward Intelligent Machine Learning Algorithms

DTIC Science & Technology

1988-05-01

Machine learning is recognized as a tool for improving the performance of many kinds of systems, yet most machine learning systems themselves are not...directed systems, and with the addition of a knowledge store for organizing and maintaining knowledge to assist learning, a learning machine learning (L...ML) algorithm is possible. The necessary components of L-ML systems are presented along with several case descriptions of existing machine learning systems

Machine learning action parameters in lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Shanahan, Phiala E.; Trewartha, Daniel; Detmold, William

2018-05-01

Numerical lattice quantum chromodynamics studies of the strong interaction are important in many aspects of particle and nuclear physics. Such studies require significant computing resources to undertake. A number of proposed methods promise improved efficiency of lattice calculations, and access to regions of parameter space that are currently computationally intractable, via multi-scale action-matching approaches that necessitate parametric regression of generated lattice datasets. The applicability of machine learning to this regression task is investigated, with deep neural networks found to provide an efficient solution even in cases where approaches such as principal component analysis fail. The high information content and complex symmetries inherent in lattice QCD datasets require custom neural network layers to be introduced and present opportunities for further development.

Web Mining: Machine Learning for Web Applications.

ERIC Educational Resources Information Center

Chen, Hsinchun; Chau, Michael

2004-01-01

Presents an overview of machine learning research and reviews methods used for evaluating machine learning systems. Ways that machine-learning algorithms were used in traditional information retrieval systems in the "pre-Web" era are described, and the field of Web mining and how machine learning has been used in different Web mining…

Development of techniques to enhance man/machine communication

NASA Technical Reports Server (NTRS)

Targ, R.; Cole, P.; Puthoff, H.

1974-01-01

A four-state random stimulus generator, considered to function as an ESP teaching machine was used to investigate an approach to facilitating interactions between man and machines. A subject tries to guess in which of four states the machine is. The machine offers the user feedback and reinforcement as to the correctness of his choice. Using this machine, 148 volunteer subjects were screened under various protocols. Several whose learning slope and/or mean score departed significantly from chance expectation were identified. Direct physiological evidence of perception of remote stimuli not presented to any known sense of the percipient using electroencephalographic (EEG) output when a light was flashed in a distant room was also studied.

Graph Representations of Flow and Transport in Fracture Networks using Machine Learning

NASA Astrophysics Data System (ADS)

Srinivasan, G.; Viswanathan, H. S.; Karra, S.; O'Malley, D.; Godinez, H. C.; Hagberg, A.; Osthus, D.; Mohd-Yusof, J.

2017-12-01

Flow and transport of fluids through fractured systems is governed by the properties and interactions at the micro-scale. Retaining information about the micro-structure such as fracture length, orientation, aperture and connectivity in mesh-based computational models results in solving for millions to billions of degrees of freedom and quickly renders the problem computationally intractable. Our approach depicts fracture networks graphically, by mapping fractures to nodes and intersections to edges, thereby greatly reducing computational burden. Additionally, we use machine learning techniques to build simulators on the graph representation, trained on data from the mesh-based high fidelity simulations to speed up computation by orders of magnitude. We demonstrate our methodology on ensembles of discrete fracture networks, dividing up the data into training and validation sets. Our machine learned graph-based solvers result in over 3 orders of magnitude speedup without any significant sacrifice in accuracy.

Energy landscapes for a machine-learning prediction of patient discharge

NASA Astrophysics Data System (ADS)

Das, Ritankar; Wales, David J.

2016-06-01

The energy landscapes framework is applied to a configuration space generated by training the parameters of a neural network. In this study the input data consists of time series for a collection of vital signs monitored for hospital patients, and the outcomes are patient discharge or continued hospitalisation. Using machine learning as a predictive diagnostic tool to identify patterns in large quantities of electronic health record data in real time is a very attractive approach for supporting clinical decisions, which have the potential to improve patient outcomes and reduce waiting times for discharge. Here we report some preliminary analysis to show how machine learning might be applied. In particular, we visualize the fitting landscape in terms of locally optimal neural networks and the connections between them in parameter space. We anticipate that these results, and analogues of thermodynamic properties for molecular systems, may help in the future design of improved predictive tools.

Machine Learning to Differentiate Between Positive and Negative Emotions Using Pupil Diameter

PubMed Central

Babiker, Areej; Faye, Ibrahima; Prehn, Kristin; Malik, Aamir

2015-01-01

Pupil diameter (PD) has been suggested as a reliable parameter for identifying an individual’s emotional state. In this paper, we introduce a learning machine technique to detect and differentiate between positive and negative emotions. We presented 30 participants with positive and negative sound stimuli and recorded pupillary responses. The results showed a significant increase in pupil dilation during the processing of negative and positive sound stimuli with greater increase for negative stimuli. We also found a more sustained dilation for negative compared to positive stimuli at the end of the trial, which was utilized to differentiate between positive and negative emotions using a machine learning approach which gave an accuracy of 96.5% with sensitivity of 97.93% and specificity of 98%. The obtained results were validated using another dataset designed for a different study and which was recorded while 30 participants processed word pairs with positive and negative emotions. PMID:26733912

Machine Learning Estimates of Natural Product Conformational Energies

PubMed Central

Rupp, Matthias; Bauer, Matthias R.; Wilcken, Rainer; Lange, Andreas; Reutlinger, Michael; Boeckler, Frank M.; Schneider, Gisbert

2014-01-01

Machine learning has been used for estimation of potential energy surfaces to speed up molecular dynamics simulations of small systems. We demonstrate that this approach is feasible for significantly larger, structurally complex molecules, taking the natural product Archazolid A, a potent inhibitor of vacuolar-type ATPase, from the myxobacterium Archangium gephyra as an example. Our model estimates energies of new conformations by exploiting information from previous calculations via Gaussian process regression. Predictive variance is used to assess whether a conformation is in the interpolation region, allowing a controlled trade-off between prediction accuracy and computational speed-up. For energies of relaxed conformations at the density functional level of theory (implicit solvent, DFT/BLYP-disp3/def2-TZVP), mean absolute errors of less than 1 kcal/mol were achieved. The study demonstrates that predictive machine learning models can be developed for structurally complex, pharmaceutically relevant compounds, potentially enabling considerable speed-ups in simulations of larger molecular structures. PMID:24453952

Detection of Cheating by Decimation Algorithm

NASA Astrophysics Data System (ADS)

Yamanaka, Shogo; Ohzeki, Masayuki; Decelle, Aurélien

2015-02-01

We expand the item response theory to study the case of "cheating students" for a set of exams, trying to detect them by applying a greedy algorithm of inference. This extended model is closely related to the Boltzmann machine learning. In this paper we aim to infer the correct biases and interactions of our model by considering a relatively small number of sets of training data. Nevertheless, the greedy algorithm that we employed in the present study exhibits good performance with a few number of training data. The key point is the sparseness of the interactions in our problem in the context of the Boltzmann machine learning: the existence of cheating students is expected to be very rare (possibly even in real world). We compare a standard approach to infer the sparse interactions in the Boltzmann machine learning to our greedy algorithm and we find the latter to be superior in several aspects.

The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning.

PubMed

Decherchi, Sergio; Berteotti, Anna; Bottegoni, Giovanni; Rocchia, Walter; Cavalli, Andrea

2015-01-27

The study of biomolecular interactions between a drug and its biological target is of paramount importance for the design of novel bioactive compounds. In this paper, we report on the use of molecular dynamics (MD) simulations and machine learning to study the binding mechanism of a transition state analogue (DADMe-immucillin-H) to the purine nucleoside phosphorylase (PNP) enzyme. Microsecond-long MD simulations allow us to observe several binding events, following different dynamical routes and reaching diverse binding configurations. These simulations are used to estimate kinetic and thermodynamic quantities, such as kon and binding free energy, obtaining a good agreement with available experimental data. In addition, we advance a hypothesis for the slow-onset inhibition mechanism of DADMe-immucillin-H against PNP. Combining extensive MD simulations with machine learning algorithms could therefore be a fruitful approach for capturing key aspects of drug-target recognition and binding.

Optimizing support vector machine learning for semi-arid vegetation mapping by using clustering analysis

NASA Astrophysics Data System (ADS)

Su, Lihong

In remote sensing communities, support vector machine (SVM) learning has recently received increasing attention. SVM learning usually requires large memory and enormous amounts of computation time on large training sets. According to SVM algorithms, the SVM classification decision function is fully determined by support vectors, which compose a subset of the training sets. In this regard, a solution to optimize SVM learning is to efficiently reduce training sets. In this paper, a data reduction method based on agglomerative hierarchical clustering is proposed to obtain smaller training sets for SVM learning. Using a multiple angle remote sensing dataset of a semi-arid region, the effectiveness of the proposed method is evaluated by classification experiments with a series of reduced training sets. The experiments show that there is no loss of SVM accuracy when the original training set is reduced to 34% using the proposed approach. Maximum likelihood classification (MLC) also is applied on the reduced training sets. The results show that MLC can also maintain the classification accuracy. This implies that the most informative data instances can be retained by this approach.

PHOTOMETRIC SUPERNOVA CLASSIFICATION WITH MACHINE LEARNING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lochner, Michelle; Peiris, Hiranya V.; Lahav, Ofer

Automated photometric supernova classification has become an active area of research in recent years in light of current and upcoming imaging surveys such as the Dark Energy Survey (DES) and the Large Synoptic Survey Telescope, given that spectroscopic confirmation of type for all supernovae discovered will be impossible. Here, we develop a multi-faceted classification pipeline, combining existing and new approaches. Our pipeline consists of two stages: extracting descriptive features from the light curves and classification using a machine learning algorithm. Our feature extraction methods vary from model-dependent techniques, namely SALT2 fits, to more independent techniques that fit parametric models tomore » curves, to a completely model-independent wavelet approach. We cover a range of representative machine learning algorithms, including naive Bayes, k -nearest neighbors, support vector machines, artificial neural networks, and boosted decision trees (BDTs). We test the pipeline on simulated multi-band DES light curves from the Supernova Photometric Classification Challenge. Using the commonly used area under the curve (AUC) of the Receiver Operating Characteristic as a metric, we find that the SALT2 fits and the wavelet approach, with the BDTs algorithm, each achieve an AUC of 0.98, where 1 represents perfect classification. We find that a representative training set is essential for good classification, whatever the feature set or algorithm, with implications for spectroscopic follow-up. Importantly, we find that by using either the SALT2 or the wavelet feature sets with a BDT algorithm, accurate classification is possible purely from light curve data, without the need for any redshift information.« less

[Fragments Woven into a Whole: A New Approach to the Diagnosis of Cancer through Mass Spectrometry and Machine-Learning].

PubMed

Takeda, Sen; Yoshimura, Kentaro; Tanabe, Kunio

2015-09-01

Conventionally, a definitive diagnosis of cancer is derived from histopathological diagnostics based on morphological criteria that are difficult to standardize on a quantifiable basis. On the other hand, while molecular tumor markers and blood biochemical profiles give quantitative values evaluated by objective criteria, these parameters are usually generated by deductive methods such as peak extraction. Therefore, some of the data that may contain useful information on specimens are discarded. To overcome the disadvantages of these methods, we have developed a new approach by employing both mass spectrometry and machine-learning for cancer diagnosis. Probe electrospray ionization (PESI) is a derivative of electrospray ionization that uses a fine acupuncture needle as a sample picker as well as an ion emitter for mass spectrometry. This method enables us to ionize very small tissue samples up to a few pico liters in the presence of physiological concentrations of inorganic salts, without the need for any sample pretreatment. Moreover, as this technique makes it possible to ionize all components with minimal suppression effects, we can retrieve much more molecular information from specimens. To make the most of data enriched with lipid compounds and substances with lower molecular weights such as carbohydrates, we employed machine-learning named the dual penalized logistic regression machine (dPLRM). This method is completely different from pattern-matching in that it discriminates categories by projecting the spectral data into a mathematical space with very high dimensions, where final judgment is made. We are now approaching the final clinical trial to validate the usefulness of our system.

Epileptic seizure detection in EEG signal using machine learning techniques.

PubMed

Jaiswal, Abeg Kumar; Banka, Haider

2018-03-01

Epilepsy is a well-known nervous system disorder characterized by seizures. Electroencephalograms (EEGs), which capture brain neural activity, can detect epilepsy. Traditional methods for analyzing an EEG signal for epileptic seizure detection are time-consuming. Recently, several automated seizure detection frameworks using machine learning technique have been proposed to replace these traditional methods. The two basic steps involved in machine learning are feature extraction and classification. Feature extraction reduces the input pattern space by keeping informative features and the classifier assigns the appropriate class label. In this paper, we propose two effective approaches involving subpattern based PCA (SpPCA) and cross-subpattern correlation-based PCA (SubXPCA) with Support Vector Machine (SVM) for automated seizure detection in EEG signals. Feature extraction was performed using SpPCA and SubXPCA. Both techniques explore the subpattern correlation of EEG signals, which helps in decision-making process. SVM is used for classification of seizure and non-seizure EEG signals. The SVM was trained with radial basis kernel. All the experiments have been carried out on the benchmark epilepsy EEG dataset. The entire dataset consists of 500 EEG signals recorded under different scenarios. Seven different experimental cases for classification have been conducted. The classification accuracy was evaluated using tenfold cross validation. The classification results of the proposed approaches have been compared with the results of some of existing techniques proposed in the literature to establish the claim.

Machine Learning-Assisted Network Inference Approach to Identify a New Class of Genes that Coordinate the Functionality of Cancer Networks.

PubMed

Ghanat Bari, Mehrab; Ung, Choong Yong; Zhang, Cheng; Zhu, Shizhen; Li, Hu

2017-08-01

Emerging evidence indicates the existence of a new class of cancer genes that act as "signal linkers" coordinating oncogenic signals between mutated and differentially expressed genes. While frequently mutated oncogenes and differentially expressed genes, which we term Class I cancer genes, are readily detected by most analytical tools, the new class of cancer-related genes, i.e., Class II, escape detection because they are neither mutated nor differentially expressed. Given this hypothesis, we developed a Machine Learning-Assisted Network Inference (MALANI) algorithm, which assesses all genes regardless of expression or mutational status in the context of cancer etiology. We used 8807 expression arrays, corresponding to 9 cancer types, to build more than 2 × 10 8 Support Vector Machine (SVM) models for reconstructing a cancer network. We found that ~3% of ~19,000 not differentially expressed genes are Class II cancer gene candidates. Some Class II genes that we found, such as SLC19A1 and ATAD3B, have been recently reported to associate with cancer outcomes. To our knowledge, this is the first study that utilizes both machine learning and network biology approaches to uncover Class II cancer genes in coordinating functionality in cancer networks and will illuminate our understanding of how genes are modulated in a tissue-specific network contribute to tumorigenesis and therapy development.

Model-based and Model-free Machine Learning Techniques for Diagnostic Prediction and Classification of Clinical Outcomes in Parkinson's Disease.

PubMed

Gao, Chao; Sun, Hanbo; Wang, Tuo; Tang, Ming; Bohnen, Nicolaas I; Müller, Martijn L T M; Herman, Talia; Giladi, Nir; Kalinin, Alexandr; Spino, Cathie; Dauer, William; Hausdorff, Jeffrey M; Dinov, Ivo D

2018-05-08

In this study, we apply a multidisciplinary approach to investigate falls in PD patients using clinical, demographic and neuroimaging data from two independent initiatives (University of Michigan and Tel Aviv Sourasky Medical Center). Using machine learning techniques, we construct predictive models to discriminate fallers and non-fallers. Through controlled feature selection, we identified the most salient predictors of patient falls including gait speed, Hoehn and Yahr stage, postural instability and gait difficulty-related measurements. The model-based and model-free analytical methods we employed included logistic regression, random forests, support vector machines, and XGboost. The reliability of the forecasts was assessed by internal statistical (5-fold) cross validation as well as by external out-of-bag validation. Four specific challenges were addressed in the study: Challenge 1, develop a protocol for harmonizing and aggregating complex, multisource, and multi-site Parkinson's disease data; Challenge 2, identify salient predictive features associated with specific clinical traits, e.g., patient falls; Challenge 3, forecast patient falls and evaluate the classification performance; and Challenge 4, predict tremor dominance (TD) vs. posture instability and gait difficulty (PIGD). Our findings suggest that, compared to other approaches, model-free machine learning based techniques provide a more reliable clinical outcome forecasting of falls in Parkinson's patients, for example, with a classification accuracy of about 70-80%.

Representing high-dimensional data to intelligent prostheses and other wearable assistive robots: A first comparison of tile coding and selective Kanerva coding.

PubMed

Travnik, Jaden B; Pilarski, Patrick M

2017-07-01

Prosthetic devices have advanced in their capabilities and in the number and type of sensors included in their design. As the space of sensorimotor data available to a conventional or machine learning prosthetic control system increases in dimensionality and complexity, it becomes increasingly important that this data be represented in a useful and computationally efficient way. Well structured sensory data allows prosthetic control systems to make informed, appropriate control decisions. In this study, we explore the impact that increased sensorimotor information has on current machine learning prosthetic control approaches. Specifically, we examine the effect that high-dimensional sensory data has on the computation time and prediction performance of a true-online temporal-difference learning prediction method as embedded within a resource-limited upper-limb prosthesis control system. We present results comparing tile coding, the dominant linear representation for real-time prosthetic machine learning, with a newly proposed modification to Kanerva coding that we call selective Kanerva coding. In addition to showing promising results for selective Kanerva coding, our results confirm potential limitations to tile coding as the number of sensory input dimensions increases. To our knowledge, this study is the first to explicitly examine representations for realtime machine learning prosthetic devices in general terms. This work therefore provides an important step towards forming an efficient prosthesis-eye view of the world, wherein prompt and accurate representations of high-dimensional data may be provided to machine learning control systems within artificial limbs and other assistive rehabilitation technologies.

Machine Learning and Data Mining Methods in Diabetes Research.

PubMed

Kavakiotis, Ioannis; Tsave, Olga; Salifoglou, Athanasios; Maglaveras, Nicos; Vlahavas, Ioannis; Chouvarda, Ioanna

2017-01-01

The remarkable advances in biotechnology and health sciences have led to a significant production of data, such as high throughput genetic data and clinical information, generated from large Electronic Health Records (EHRs). To this end, application of machine learning and data mining methods in biosciences is presently, more than ever before, vital and indispensable in efforts to transform intelligently all available information into valuable knowledge. Diabetes mellitus (DM) is defined as a group of metabolic disorders exerting significant pressure on human health worldwide. Extensive research in all aspects of diabetes (diagnosis, etiopathophysiology, therapy, etc.) has led to the generation of huge amounts of data. The aim of the present study is to conduct a systematic review of the applications of machine learning, data mining techniques and tools in the field of diabetes research with respect to a) Prediction and Diagnosis, b) Diabetic Complications, c) Genetic Background and Environment, and e) Health Care and Management with the first category appearing to be the most popular. A wide range of machine learning algorithms were employed. In general, 85% of those used were characterized by supervised learning approaches and 15% by unsupervised ones, and more specifically, association rules. Support vector machines (SVM) arise as the most successful and widely used algorithm. Concerning the type of data, clinical datasets were mainly used. The title applications in the selected articles project the usefulness of extracting valuable knowledge leading to new hypotheses targeting deeper understanding and further investigation in DM.

Machine learning and predictive data analytics enabling metrology and process control in IC fabrication

NASA Astrophysics Data System (ADS)

Rana, Narender; Zhang, Yunlin; Wall, Donald; Dirahoui, Bachir; Bailey, Todd C.

2015-03-01

Integrate circuit (IC) technology is going through multiple changes in terms of patterning techniques (multiple patterning, EUV and DSA), device architectures (FinFET, nanowire, graphene) and patterning scale (few nanometers). These changes require tight controls on processes and measurements to achieve the required device performance, and challenge the metrology and process control in terms of capability and quality. Multivariate data with complex nonlinear trends and correlations generally cannot be described well by mathematical or parametric models but can be relatively easily learned by computing machines and used to predict or extrapolate. This paper introduces the predictive metrology approach which has been applied to three different applications. Machine learning and predictive analytics have been leveraged to accurately predict dimensions of EUV resist patterns down to 18 nm half pitch leveraging resist shrinkage patterns. These patterns could not be directly and accurately measured due to metrology tool limitations. Machine learning has also been applied to predict the electrical performance early in the process pipeline for deep trench capacitance and metal line resistance. As the wafer goes through various processes its associated cost multiplies. It may take days to weeks to get the electrical performance readout. Predicting the electrical performance early on can be very valuable in enabling timely actionable decision such as rework, scrap, feedforward, feedback predicted information or information derived from prediction to improve or monitor processes. This paper provides a general overview of machine learning and advanced analytics application in the advanced semiconductor development and manufacturing.

Optimisation of a machine learning algorithm in human locomotion using principal component and discriminant function analyses.

PubMed

Bisele, Maria; Bencsik, Martin; Lewis, Martin G C; Barnett, Cleveland T

2017-01-01

Assessment methods in human locomotion often involve the description of normalised graphical profiles and/or the extraction of discrete variables. Whilst useful, these approaches may not represent the full complexity of gait data. Multivariate statistical methods, such as Principal Component Analysis (PCA) and Discriminant Function Analysis (DFA), have been adopted since they have the potential to overcome these data handling issues. The aim of the current study was to develop and optimise a specific machine learning algorithm for processing human locomotion data. Twenty participants ran at a self-selected speed across a 15m runway in barefoot and shod conditions. Ground reaction forces (BW) and kinematics were measured at 1000 Hz and 100 Hz, respectively from which joint angles (°), joint moments (N.m.kg-1) and joint powers (W.kg-1) for the hip, knee and ankle joints were calculated in all three anatomical planes. Using PCA and DFA, power spectra of the kinematic and kinetic variables were used as a training database for the development of a machine learning algorithm. All possible combinations of 10 out of 20 participants were explored to find the iteration of individuals that would optimise the machine learning algorithm. The results showed that the algorithm was able to successfully predict whether a participant ran shod or barefoot in 93.5% of cases. To the authors' knowledge, this is the first study to optimise the development of a machine learning algorithm.

Optimisation of a machine learning algorithm in human locomotion using principal component and discriminant function analyses

PubMed Central

Bisele, Maria; Bencsik, Martin; Lewis, Martin G. C.

2017-01-01

Assessment methods in human locomotion often involve the description of normalised graphical profiles and/or the extraction of discrete variables. Whilst useful, these approaches may not represent the full complexity of gait data. Multivariate statistical methods, such as Principal Component Analysis (PCA) and Discriminant Function Analysis (DFA), have been adopted since they have the potential to overcome these data handling issues. The aim of the current study was to develop and optimise a specific machine learning algorithm for processing human locomotion data. Twenty participants ran at a self-selected speed across a 15m runway in barefoot and shod conditions. Ground reaction forces (BW) and kinematics were measured at 1000 Hz and 100 Hz, respectively from which joint angles (°), joint moments (N.m.kg-1) and joint powers (W.kg-1) for the hip, knee and ankle joints were calculated in all three anatomical planes. Using PCA and DFA, power spectra of the kinematic and kinetic variables were used as a training database for the development of a machine learning algorithm. All possible combinations of 10 out of 20 participants were explored to find the iteration of individuals that would optimise the machine learning algorithm. The results showed that the algorithm was able to successfully predict whether a participant ran shod or barefoot in 93.5% of cases. To the authors’ knowledge, this is the first study to optimise the development of a machine learning algorithm. PMID:28886059

PredicT-ML: a tool for automating machine learning model building with big clinical data.

PubMed

Luo, Gang

2016-01-01

Predictive modeling is fundamental to transforming large clinical data sets, or "big clinical data," into actionable knowledge for various healthcare applications. Machine learning is a major predictive modeling approach, but two barriers make its use in healthcare challenging. First, a machine learning tool user must choose an algorithm and assign one or more model parameters called hyper-parameters before model training. The algorithm and hyper-parameter values used typically impact model accuracy by over 40 %, but their selection requires many labor-intensive manual iterations that can be difficult even for computer scientists. Second, many clinical attributes are repeatedly recorded over time, requiring temporal aggregation before predictive modeling can be performed. Many labor-intensive manual iterations are required to identify a good pair of aggregation period and operator for each clinical attribute. Both barriers result in time and human resource bottlenecks, and preclude healthcare administrators and researchers from asking a series of what-if questions when probing opportunities to use predictive models to improve outcomes and reduce costs. This paper describes our design of and vision for PredicT-ML (prediction tool using machine learning), a software system that aims to overcome these barriers and automate machine learning model building with big clinical data. The paper presents the detailed design of PredicT-ML. PredicT-ML will open the use of big clinical data to thousands of healthcare administrators and researchers and increase the ability to advance clinical research and improve healthcare.

HELPR: Hybrid Evolutionary Learning for Pattern Recognition

DTIC Science & Technology

2005-12-01

to a new approach called memetic algorithms that combines machine learning systems with human expertise to create new tools that have the advantage...architecture could form the foundation for a memetic system capable of solving ATR problems faster and more accurately than possible using pure human expertise

Integrating artificial and human intelligence into tablet production process.

PubMed

Gams, Matjaž; Horvat, Matej; Ožek, Matej; Luštrek, Mitja; Gradišek, Anton

2014-12-01

We developed a new machine learning-based method in order to facilitate the manufacturing processes of pharmaceutical products, such as tablets, in accordance with the Process Analytical Technology (PAT) and Quality by Design (QbD) initiatives. Our approach combines the data, available from prior production runs, with machine learning algorithms that are assisted by a human operator with expert knowledge of the production process. The process parameters encompass those that relate to the attributes of the precursor raw materials and those that relate to the manufacturing process itself. During manufacturing, our method allows production operator to inspect the impacts of various settings of process parameters within their proven acceptable range with the purpose of choosing the most promising values in advance of the actual batch manufacture. The interaction between the human operator and the artificial intelligence system provides improved performance and quality. We successfully implemented the method on data provided by a pharmaceutical company for a particular product, a tablet, under development. We tested the accuracy of the method in comparison with some other machine learning approaches. The method is especially suitable for analyzing manufacturing processes characterized by a limited amount of data.

Predicting ground contact events for a continuum of gait types: An application of targeted machine learning using principal component analysis.

PubMed

Osis, Sean T; Hettinga, Blayne A; Ferber, Reed

2016-05-01

An ongoing challenge in the application of gait analysis to clinical settings is the standardized detection of temporal events, with unobtrusive and cost-effective equipment, for a wide range of gait types. The purpose of the current study was to investigate a targeted machine learning approach for the prediction of timing for foot strike (or initial contact) and toe-off, using only kinematics for walking, forefoot running, and heel-toe running. Data were categorized by gait type and split into a training set (∼30%) and a validation set (∼70%). A principal component analysis was performed, and separate linear models were trained and validated for foot strike and toe-off, using ground reaction force data as a gold-standard for event timing. Results indicate the model predicted both foot strike and toe-off timing to within 20ms of the gold-standard for more than 95% of cases in walking and running gaits. The machine learning approach continues to provide robust timing predictions for clinical use, and may offer a flexible methodology to handle new events and gait types. Copyright © 2016 Elsevier B.V. All rights reserved.

A Data-Driven Approach to Develop Physically Sound Predictors: Application to Depth-Averaged Velocities and Drag Coefficients on Vegetated Flows

NASA Astrophysics Data System (ADS)

Tinoco, R. O.; Goldstein, E. B.; Coco, G.

2016-12-01

We use a machine learning approach to seek accurate, physically sound predictors, to estimate two relevant flow parameters for open-channel vegetated flows: mean velocities and drag coefficients. A genetic programming algorithm is used to find a robust relationship between properties of the vegetation and flow parameters. We use data published from several laboratory experiments covering a broad range of conditions to obtain: a) in the case of mean flow, an equation that matches the accuracy of other predictors from recent literature while showing a less complex structure, and b) for drag coefficients, a predictor that relies on both single element and array parameters. We investigate different criteria for dataset size and data selection to evaluate their impact on the resulting predictor, as well as simple strategies to obtain only dimensionally consistent equations, and avoid the need for dimensional coefficients. The results show that a proper methodology can deliver physically sound models representative of the processes involved, such that genetic programming and machine learning techniques can be used as powerful tools to study complicated phenomena and develop not only purely empirical, but "hybrid" models, coupling results from machine learning methodologies into physics-based models.

Downscaling Coarse Scale Microwave Soil Moisture Product using Machine Learning

NASA Astrophysics Data System (ADS)

Abbaszadeh, P.; Moradkhani, H.; Yan, H.

2016-12-01

Soil moisture (SM) is a key variable in partitioning and examining the global water-energy cycle, agricultural planning, and water resource management. It is also strongly coupled with climate change, playing an important role in weather forecasting and drought monitoring and prediction, flood modeling and irrigation management. Although satellite retrievals can provide an unprecedented information of soil moisture at a global-scale, the products might be inadequate for basin scale study or regional assessment. To improve the spatial resolution of SM, this work presents a novel approach based on Machine Learning (ML) technique that allows for downscaling of the satellite soil moisture to fine resolution. For this purpose, the SMAP L-band radiometer SM products were used and conditioned on the Variable Infiltration Capacity (VIC) model prediction to describe the relationship between the coarse and fine scale soil moisture data. The proposed downscaling approach was applied to a western US basin and the products were compared against the available SM data from in-situ gauge stations. The obtained results indicated a great potential of the machine learning technique to derive the fine resolution soil moisture information that is currently used for land data assimilation applications.

Mixed Integer Linear Programming based machine learning approach identifies regulators of telomerase in yeast.

PubMed

Poos, Alexandra M; Maicher, André; Dieckmann, Anna K; Oswald, Marcus; Eils, Roland; Kupiec, Martin; Luke, Brian; König, Rainer

2016-06-02

Understanding telomere length maintenance mechanisms is central in cancer biology as their dysregulation is one of the hallmarks for immortalization of cancer cells. Important for this well-balanced control is the transcriptional regulation of the telomerase genes. We integrated Mixed Integer Linear Programming models into a comparative machine learning based approach to identify regulatory interactions that best explain the discrepancy of telomerase transcript levels in yeast mutants with deleted regulators showing aberrant telomere length, when compared to mutants with normal telomere length. We uncover novel regulators of telomerase expression, several of which affect histone levels or modifications. In particular, our results point to the transcription factors Sum1, Hst1 and Srb2 as being important for the regulation of EST1 transcription, and we validated the effect of Sum1 experimentally. We compiled our machine learning method leading to a user friendly package for R which can straightforwardly be applied to similar problems integrating gene regulator binding information and expression profiles of samples of e.g. different phenotypes, diseases or treatments. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

A novel approach for detection and classification of mammographic microcalcifications using wavelet analysis and extreme learning machine.

PubMed

Malar, E; Kandaswamy, A; Chakravarthy, D; Giri Dharan, A

2012-09-01

The objective of this paper is to reveal the effectiveness of wavelet based tissue texture analysis for microcalcification detection in digitized mammograms using Extreme Learning Machine (ELM). Microcalcifications are tiny deposits of calcium in the breast tissue which are potential indicators for early detection of breast cancer. The dense nature of the breast tissue and the poor contrast of the mammogram image prohibit the effectiveness in identifying microcalcifications. Hence, a new approach to discriminate the microcalcifications from the normal tissue is done using wavelet features and is compared with different feature vectors extracted using Gray Level Spatial Dependence Matrix (GLSDM) and Gabor filter based techniques. A total of 120 Region of Interests (ROIs) extracted from 55 mammogram images of mini-Mias database, including normal and microcalcification images are used in the current research. The network is trained with the above mentioned features and the results denote that ELM produces relatively better classification accuracy (94%) with a significant reduction in training time than the other artificial neural networks like Bayesnet classifier, Naivebayes classifier, and Support Vector Machine. ELM also avoids problems like local minima, improper learning rate, and over fitting. Copyright © 2012 Elsevier Ltd. All rights reserved.

Improving Satellite Observation Utilization for Model Initialization with Machine Learning: An Introduction and Tackling the "Labeled Dataset" Challenge for Cyclones Around the World

NASA Astrophysics Data System (ADS)

Bonfanti, C. E.; Stewart, J.; Lee, Y. J.; Govett, M.; Trailovic, L.; Etherton, B.

2017-12-01

One of the National Oceanic and Atmospheric Administration (NOAA) goals is to provide timely and reliable weather forecasts to support important decisions when and where people need it for safety, emergencies, planning for day-to-day activities. Satellite data is essential for areas lacking in-situ observations for use as initial conditions in Numerical Weather Prediction (NWP) Models, such as spans of the ocean or remote areas of land. Currently only about 7% of total received satellite data is selected for use and from that, an even smaller percentage ever are assimilated into NWP models. With machine learning, the computational and time costs needed for satellite data selection can be greatly reduced. We study various machine learning approaches to process orders of magnitude more satellite data in significantly less time allowing for a greater quantity and more intelligent selection of data to be used for assimilation purposes. Given the future launches of satellites in the upcoming years, machine learning is capable of being applied for better selection of Regions of Interest (ROI) in the magnitudes more of satellite data that will be received. This paper discusses the background of machine learning methods as applied to weather forecasting and the challenges of creating a "labeled dataset" for training and testing purposes. In the training stage of supervised machine learning, labeled data are important to identify a ROI as either true or false so that the model knows what signatures in satellite data to identify. Authors have selected cyclones, including tropical cyclones and mid-latitude lows, as ROI for their machine learning purposes and created a labeled dataset of true or false for ROI from Global Forecast System (GFS) reanalysis data. A dataset like this does not yet exist and given the need for a high quantity of samples, is was decided this was best done with automation. This process was done by developing a program similar to the National Center for Environmental Prediction (NCEP) tropical cyclone tracker by Marchok that was used to identify cyclones based off its physical characteristics. We will discuss the methods and challenges to creating this dataset and the dataset's use for our current supervised machine learning model as well as use for future work on events such as convection initiation.

Screening Electronic Health Record-Related Patient Safety Reports Using Machine Learning.

PubMed

Marella, William M; Sparnon, Erin; Finley, Edward

2017-03-01

The objective of this study was to develop a semiautomated approach to screening cases that describe hazards associated with the electronic health record (EHR) from a mandatory, population-based patient safety reporting system. Potentially relevant cases were identified through a query of the Pennsylvania Patient Safety Reporting System. A random sample of cases were manually screened for relevance and divided into training, testing, and validation data sets to develop a machine learning model. This model was used to automate screening of remaining potentially relevant cases. Of the 4 algorithms tested, a naive Bayes kernel performed best, with an area under the receiver operating characteristic curve of 0.927 ± 0.023, accuracy of 0.855 ± 0.033, and F score of 0.877 ± 0.027. The machine learning model and text mining approach described here are useful tools for identifying and analyzing adverse event and near-miss reports. Although reporting systems are beginning to incorporate structured fields on health information technology and the EHR, these methods can identify related events that reporters classify in other ways. These methods can facilitate analysis of legacy safety reports by retrieving health information technology-related and EHR-related events from databases without fields and controlled values focused on this subject and distinguishing them from reports in which the EHR is mentioned only in passing. Machine learning and text mining are useful additions to the patient safety toolkit and can be used to semiautomate screening and analysis of unstructured text in safety reports from frontline staff.

Biomechanics-machine learning system for surgical gesture analysis and development of technologies for minimal access surgery.

PubMed

Cavallo, Filippo; Sinigaglia, Stefano; Megali, Giuseppe; Pietrabissa, Andrea; Dario, Paolo; Mosca, Franco; Cuschieri, Alfred

2014-10-01

The uptake of minimal access surgery (MAS) has by virtue of its clinical benefits become widespread across the surgical specialties. However, despite its advantages in reducing traumatic insult to the patient, it imposes significant ergonomic restriction on the operating surgeons who require training for the safe execution. Recent progress in manipulator technologies (robotic or mechanical) have certainly reduced the level of difficulty, however it requires information for a complete gesture analysis of surgical performance. This article reports on the development and evaluation of such a system capable of full biomechanical and machine learning. The system for gesture analysis comprises 5 principal modules, which permit synchronous acquisition of multimodal surgical gesture signals from different sources and settings. The acquired signals are used to perform a biomechanical analysis for investigation of kinematics, dynamics, and muscle parameters of surgical gestures and a machine learning model for segmentation and recognition of principal phases of surgical gesture. The biomechanical system is able to estimate the level of expertise of subjects and the ergonomics in using different instruments. The machine learning approach is able to ascertain the level of expertise of subjects and has the potential for automatic recognition of surgical gesture for surgeon-robot interactions. Preliminary tests have confirmed the efficacy of the system for surgical gesture analysis, providing an objective evaluation of progress during training of surgeons in their acquisition of proficiency in MAS approach and highlighting useful information for the design and evaluation of master-slave manipulator systems. © The Author(s) 2013.

Machine-learning identifies substance-specific behavioral markers for opiate and stimulant dependence

PubMed Central

Ahn, Woo-Young; Vassileva, Jasmin

2016-01-01

Background Recent animal and human studies reveal distinct cognitive and neurobiological differences between opiate and stimulant addictions; however, our understanding of the common and specific effects of these two classes of drugs remains limited due to the high rates of polysubstance-dependence among drug users. Methods The goal of the current study was to identify multivariate substance-specific markers classifying heroin dependence (HD) and amphetamine dependence (AD), by using machine-learning approaches. Participants included 39 amphetamine mono-dependent, 44 heroin mono-dependent, 58 polysubstance dependent, and 81 non-substance dependent individuals. The majority of substance dependent participants were in protracted abstinence. We used demographic, personality (trait impulsivity, trait psychopathy, aggression, sensation seeking), psychiatric (attention deficit hyperactivity disorder, conduct disorder, antisocial personality disorder, psychopathy, anxiety, depression), and neurocognitive impulsivity measures (Delay Discounting, Go/No-Go, Stop Signal, Immediate Memory, Balloon Analogue Risk, Cambridge Gambling, and Iowa Gambling tasks) as predictors in a machine-learning algorithm. Results The machine-learning approach revealed substance-specific multivariate profiles that classified HD and AD in new samples with high degree of accuracy. Out of 54 predictors, psychopathy was the only classifier common to both types of addiction. Important dissociations emerged between factors classifying HD and AD, which often showed opposite patterns among individuals with HD and AD. Conclusions These results suggest that different mechanisms may underlie HD and AD, challenging the unitary account of drug addiction. This line of work may shed light on the development of standardized and cost-efficient clinical diagnostic tests and facilitate the development of individualized prevention and intervention programs for HD and AD. PMID:26905209

Deep Learning for Brain MRI Segmentation: State of the Art and Future Directions.

PubMed

Akkus, Zeynettin; Galimzianova, Alfiia; Hoogi, Assaf; Rubin, Daniel L; Erickson, Bradley J

2017-08-01

Quantitative analysis of brain MRI is routine for many neurological diseases and conditions and relies on accurate segmentation of structures of interest. Deep learning-based segmentation approaches for brain MRI are gaining interest due to their self-learning and generalization ability over large amounts of data. As the deep learning architectures are becoming more mature, they gradually outperform previous state-of-the-art classical machine learning algorithms. This review aims to provide an overview of current deep learning-based segmentation approaches for quantitative brain MRI. First we review the current deep learning architectures used for segmentation of anatomical brain structures and brain lesions. Next, the performance, speed, and properties of deep learning approaches are summarized and discussed. Finally, we provide a critical assessment of the current state and identify likely future developments and trends.

Learning New Basic Movements for Robotics

NASA Astrophysics Data System (ADS)

Kober, Jens; Peters, Jan

Obtaining novel skills is one of the most important problems in robotics. Machine learning techniques may be a promising approach for automatic and autonomous acquisition of movement policies. However, this requires both an appropriate policy representation and suitable learning algorithms. Employing the most recent form of the dynamical systems motor primitives originally introduced by Ijspeert et al. [1], we show how both discrete and rhythmic tasks can be learned using a concerted approach of both imitation and reinforcement learning, and present our current best performing learning algorithms. Finally, we show that it is possible to include a start-up phase in rhythmic primitives. We apply our approach to two elementary movements, i.e., Ball-in-a-Cup and Ball-Paddling, which can be learned on a real Barrett WAM robot arm at a pace similar to human learning.

Evaluation of Machine Learning and Rules-Based Approaches for Predicting Antimicrobial Resistance Profiles in Gram-negative Bacilli from Whole Genome Sequence Data.

PubMed

Pesesky, Mitchell W; Hussain, Tahir; Wallace, Meghan; Patel, Sanket; Andleeb, Saadia; Burnham, Carey-Ann D; Dantas, Gautam

2016-01-01

The time-to-result for culture-based microorganism recovery and phenotypic antimicrobial susceptibility testing necessitates initial use of empiric (frequently broad-spectrum) antimicrobial therapy. If the empiric therapy is not optimal, this can lead to adverse patient outcomes and contribute to increasing antibiotic resistance in pathogens. New, more rapid technologies are emerging to meet this need. Many of these are based on identifying resistance genes, rather than directly assaying resistance phenotypes, and thus require interpretation to translate the genotype into treatment recommendations. These interpretations, like other parts of clinical diagnostic workflows, are likely to be increasingly automated in the future. We set out to evaluate the two major approaches that could be amenable to automation pipelines: rules-based methods and machine learning methods. The rules-based algorithm makes predictions based upon current, curated knowledge of Enterobacteriaceae resistance genes. The machine-learning algorithm predicts resistance and susceptibility based on a model built from a training set of variably resistant isolates. As our test set, we used whole genome sequence data from 78 clinical Enterobacteriaceae isolates, previously identified to represent a variety of phenotypes, from fully-susceptible to pan-resistant strains for the antibiotics tested. We tested three antibiotic resistance determinant databases for their utility in identifying the complete resistome for each isolate. The predictions of the rules-based and machine learning algorithms for these isolates were compared to results of phenotype-based diagnostics. The rules based and machine-learning predictions achieved agreement with standard-of-care phenotypic diagnostics of 89.0 and 90.3%, respectively, across twelve antibiotic agents from six major antibiotic classes. Several sources of disagreement between the algorithms were identified. Novel variants of known resistance factors and incomplete genome assembly confounded the rules-based algorithm, resulting in predictions based on gene family, rather than on knowledge of the specific variant found. Low-frequency resistance caused errors in the machine-learning algorithm because those genes were not seen or seen infrequently in the test set. We also identified an example of variability in the phenotype-based results that led to disagreement with both genotype-based methods. Genotype-based antimicrobial susceptibility testing shows great promise as a diagnostic tool, and we outline specific research goals to further refine this methodology.

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.

PubMed

Lane, Thomas; Russo, Daniel P; Zorn, Kimberley M; Clark, Alex M; Korotcov, Alexandru; Tkachenko, Valery; Reynolds, Robert C; Perryman, Alexander L; Freundlich, Joel S; Ekins, Sean

2018-04-26

Tuberculosis is a global health dilemma. In 2016, the WHO reported 10.4 million incidences and 1.7 million deaths. The need to develop new treatments for those infected with Mycobacterium tuberculosis ( Mtb) has led to many large-scale phenotypic screens and many thousands of new active compounds identified in vitro. However, with limited funding, efforts to discover new active molecules against Mtb needs to be more efficient. Several computational machine learning approaches have been shown to have good enrichment and hit rates. We have curated small molecule Mtb data and developed new models with a total of 18,886 molecules with activity cutoffs of 10 μM, 1 μM, and 100 nM. These data sets were used to evaluate different machine learning methods (including deep learning) and metrics and to generate predictions for additional molecules published in 2017. One Mtb model, a combined in vitro and in vivo data Bayesian model at a 100 nM activity yielded the following metrics for 5-fold cross validation: accuracy = 0.88, precision = 0.22, recall = 0.91, specificity = 0.88, kappa = 0.31, and MCC = 0.41. We have also curated an evaluation set ( n = 153 compounds) published in 2017, and when used to test our model, it showed the comparable statistics (accuracy = 0.83, precision = 0.27, recall = 1.00, specificity = 0.81, kappa = 0.36, and MCC = 0.47). We have also compared these models with additional machine learning algorithms showing Bayesian machine learning models constructed with literature Mtb data generated by different laboratories generally were equivalent to or outperformed deep neural networks with external test sets. Finally, we have also compared our training and test sets to show they were suitably diverse and different in order to represent useful evaluation sets. Such Mtb machine learning models could help prioritize compounds for testing in vitro and in vivo.

Training Knowledge Bots for Physics-Based Simulations Using Artificial Neural Networks

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.; Wong, Jay Ming

2014-01-01

Millions of complex physics-based simulations are required for design of an aerospace vehicle. These simulations are usually performed by highly trained and skilled analysts, who execute, monitor, and steer each simulation. Analysts rely heavily on their broad experience that may have taken 20-30 years to accumulate. In addition, the simulation software is complex in nature, requiring significant computational resources. Simulations of system of systems become even more complex and are beyond human capacity to effectively learn their behavior. IBM has developed machines that can learn and compete successfully with a chess grandmaster and most successful jeopardy contestants. These machines are capable of learning some complex problems much faster than humans can learn. In this paper, we propose using artificial neural network to train knowledge bots to identify the idiosyncrasies of simulation software and recognize patterns that can lead to successful simulations. We examine the use of knowledge bots for applications of computational fluid dynamics (CFD), trajectory analysis, commercial finite-element analysis software, and slosh propellant dynamics. We will show that machine learning algorithms can be used to learn the idiosyncrasies of computational simulations and identify regions of instability without including any additional information about their mathematical form or applied discretization approaches.

Tear fluid proteomics multimarkers for diabetic retinopathy screening

PubMed Central

2013-01-01

Background The aim of the project was to develop a novel method for diabetic retinopathy screening based on the examination of tear fluid biomarker changes. In order to evaluate the usability of protein biomarkers for pre-screening purposes several different approaches were used, including machine learning algorithms. Methods All persons involved in the study had diabetes. Diabetic retinopathy (DR) was diagnosed by capturing 7-field fundus images, evaluated by two independent ophthalmologists. 165 eyes were examined (from 119 patients), 55 were diagnosed healthy and 110 images showed signs of DR. Tear samples were taken from all eyes and state-of-the-art nano-HPLC coupled ESI-MS/MS mass spectrometry protein identification was performed on all samples. Applicability of protein biomarkers was evaluated by six different optimally parameterized machine learning algorithms: Support Vector Machine, Recursive Partitioning, Random Forest, Naive Bayes, Logistic Regression, K-Nearest Neighbor. Results Out of the six investigated machine learning algorithms the result of Recursive Partitioning proved to be the most accurate. The performance of the system realizing the above algorithm reached 74% sensitivity and 48% specificity. Conclusions Protein biomarkers selected and classified with machine learning algorithms alone are at present not recommended for screening purposes because of low specificity and sensitivity values. This tool can be potentially used to improve the results of image processing methods as a complementary tool in automatic or semiautomatic systems. PMID:23919537

Salient Feature Identification and Analysis using Kernel-Based Classification Techniques for Synthetic Aperture Radar Automatic Target Recognition

DTIC Science & Technology

2014-03-27

and machine learning for a range of research including such topics as medical imaging [10] and handwriting recognition [11]. The type of feature...1989. [11] C. Bahlmann, B. Haasdonk, and H. Burkhardt, “Online handwriting recognition with support vector machines-a kernel approach,” in Eighth...International Workshop on Frontiers in Handwriting Recognition, pp. 49–54, IEEE, 2002. [12] C. Cortes and V. Vapnik, “Support-vector networks,” Machine

Unorganized machines for seasonal streamflow series forecasting.

PubMed

Siqueira, Hugo; Boccato, Levy; Attux, Romis; Lyra, Christiano

2014-05-01

Modern unorganized machines--extreme learning machines and echo state networks--provide an elegant balance between processing capability and mathematical simplicity, circumventing the difficulties associated with the conventional training approaches of feedforward/recurrent neural networks (FNNs/RNNs). This work performs a detailed investigation of the applicability of unorganized architectures to the problem of seasonal streamflow series forecasting, considering scenarios associated with four Brazilian hydroelectric plants and four distinct prediction horizons. Experimental results indicate the pertinence of these models to the focused task.

A Novel Approach for Lie Detection Based on F-Score and Extreme Learning Machine

PubMed Central

Gao, Junfeng; Wang, Zhao; Yang, Yong; Zhang, Wenjia; Tao, Chunyi; Guan, Jinan; Rao, Nini

2013-01-01

A new machine learning method referred to as F-score_ELM was proposed to classify the lying and truth-telling using the electroencephalogram (EEG) signals from 28 guilty and innocent subjects. Thirty-one features were extracted from the probe responses from these subjects. Then, a recently-developed classifier called extreme learning machine (ELM) was combined with F-score, a simple but effective feature selection method, to jointly optimize the number of the hidden nodes of ELM and the feature subset by a grid-searching training procedure. The method was compared to two classification models combining principal component analysis with back-propagation network and support vector machine classifiers. We thoroughly assessed the performance of these classification models including the training and testing time, sensitivity and specificity from the training and testing sets, as well as network size. The experimental results showed that the number of the hidden nodes can be effectively optimized by the proposed method. Also, F-score_ELM obtained the best classification accuracy and required the shortest training and testing time. PMID:23755136

Medical subdomain classification of clinical notes using a machine learning-based natural language processing approach.

PubMed

Weng, Wei-Hung; Wagholikar, Kavishwar B; McCray, Alexa T; Szolovits, Peter; Chueh, Henry C

2017-12-01

The medical subdomain of a clinical note, such as cardiology or neurology, is useful content-derived metadata for developing machine learning downstream applications. To classify the medical subdomain of a note accurately, we have constructed a machine learning-based natural language processing (NLP) pipeline and developed medical subdomain classifiers based on the content of the note. We constructed the pipeline using the clinical NLP system, clinical Text Analysis and Knowledge Extraction System (cTAKES), the Unified Medical Language System (UMLS) Metathesaurus, Semantic Network, and learning algorithms to extract features from two datasets - clinical notes from Integrating Data for Analysis, Anonymization, and Sharing (iDASH) data repository (n = 431) and Massachusetts General Hospital (MGH) (n = 91,237), and built medical subdomain classifiers with different combinations of data representation methods and supervised learning algorithms. We evaluated the performance of classifiers and their portability across the two datasets. The convolutional recurrent neural network with neural word embeddings trained-medical subdomain classifier yielded the best performance measurement on iDASH and MGH datasets with area under receiver operating characteristic curve (AUC) of 0.975 and 0.991, and F1 scores of 0.845 and 0.870, respectively. Considering better clinical interpretability, linear support vector machine-trained medical subdomain classifier using hybrid bag-of-words and clinically relevant UMLS concepts as the feature representation, with term frequency-inverse document frequency (tf-idf)-weighting, outperformed other shallow learning classifiers on iDASH and MGH datasets with AUC of 0.957 and 0.964, and F1 scores of 0.932 and 0.934 respectively. We trained classifiers on one dataset, applied to the other dataset and yielded the threshold of F1 score of 0.7 in classifiers for half of the medical subdomains we studied. Our study shows that a supervised learning-based NLP approach is useful to develop medical subdomain classifiers. The deep learning algorithm with distributed word representation yields better performance yet shallow learning algorithms with the word and concept representation achieves comparable performance with better clinical interpretability. Portable classifiers may also be used across datasets from different institutions.

A learning-based markerless approach for full-body kinematics estimation in-natura from a single image.

PubMed

Drory, Ami; Li, Hongdong; Hartley, Richard

2017-04-11

We present a supervised machine learning approach for markerless estimation of human full-body kinematics for a cyclist from an unconstrained colour image. This approach is motivated by the limitations of existing marker-based approaches restricted by infrastructure, environmental conditions, and obtrusive markers. By using a discriminatively learned mixture-of-parts model, we construct a probabilistic tree representation to model the configuration and appearance of human body joints. During the learning stage, a Structured Support Vector Machine (SSVM) learns body parts appearance and spatial relations. In the testing stage, the learned models are employed to recover body pose via searching in a test image over a pyramid structure. We focus on the movement modality of cycling to demonstrate the efficacy of our approach. In natura estimation of cycling kinematics using images is challenging because of human interaction with a bicycle causing frequent occlusions. We make no assumptions in relation to the kinematic constraints of the model, nor the appearance of the scene. Our technique finds multiple quality hypotheses for the pose. We evaluate the precision of our method on two new datasets using loss functions. Our method achieves a score of 91.1 and 69.3 on mean Probability of Correct Keypoint (PCK) measure and 88.7 and 66.1 on the Average Precision of Keypoints (APK) measure for the frontal and sagittal datasets respectively. We conclude that our method opens new vistas to robust user-interaction free estimation of full body kinematics, a prerequisite to motion analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

Comparison of machine learned approaches for thyroid nodule characterization from shear wave elastography images

NASA Astrophysics Data System (ADS)

Pereira, Carina; Dighe, Manjiri; Alessio, Adam M.

2018-02-01

Various Computer Aided Diagnosis (CAD) systems have been developed that characterize thyroid nodules using the features extracted from the B-mode ultrasound images and Shear Wave Elastography images (SWE). These features, however, are not perfect predictors of malignancy. In other domains, deep learning techniques such as Convolutional Neural Networks (CNNs) have outperformed conventional feature extraction based machine learning approaches. In general, fully trained CNNs require substantial volumes of data, motivating several efforts to use transfer learning with pre-trained CNNs. In this context, we sought to compare the performance of conventional feature extraction, fully trained CNNs, and transfer learning based, pre-trained CNNs for the detection of thyroid malignancy from ultrasound images. We compared these approaches applied to a data set of 964 B-mode and SWE images from 165 patients. The data were divided into 80% training/validation and 20% testing data. The highest accuracies achieved on the testing data for the conventional feature extraction, fully trained CNN, and pre-trained CNN were 0.80, 0.75, and 0.83 respectively. In this application, classification using a pre-trained network yielded the best performance, potentially due to the relatively limited sample size and sub-optimal architecture for the fully trained CNN.

Machine Learning for Education: Learning to Teach

DTIC Science & Technology

2016-12-01

such as commercial aviation, healthcare, and military operations. In the context of military applications, serious gaming – the training warfighters...problems. Playing these games not only allowed the warfighter to discover and learn new tactics, techniques, and procedures, but also allowed the...collecting information across relevant sample sizes have motivated a data-driven, game - based simulation approach. For example, industry and academia alike

Generating a Spanish Affective Dictionary with Supervised Learning Techniques

ERIC Educational Resources Information Center

Bermudez-Gonzalez, Daniel; Miranda-Jiménez, Sabino; García-Moreno, Raúl-Ulises; Calderón-Nepamuceno, Dora

2016-01-01

Nowadays, machine learning techniques are being used in several Natural Language Processing (NLP) tasks such as Opinion Mining (OM). OM is used to analyse and determine the affective orientation of texts. Usually, OM approaches use affective dictionaries in order to conduct sentiment analysis. These lexicons are labeled manually with affective…

Adaptive and predictive control of a simulated robot arm.

PubMed

Tolu, Silvia; Vanegas, Mauricio; Garrido, Jesús A; Luque, Niceto R; Ros, Eduardo

2013-06-01

In this work, a basic cerebellar neural layer and a machine learning engine are embedded in a recurrent loop which avoids dealing with the motor error or distal error problem. The presented approach learns the motor control based on available sensor error estimates (position, velocity, and acceleration) without explicitly knowing the motor errors. The paper focuses on how to decompose the input into different components in order to facilitate the learning process using an automatic incremental learning model (locally weighted projection regression (LWPR) algorithm). LWPR incrementally learns the forward model of the robot arm and provides the cerebellar module with optimal pre-processed signals. We present a recurrent adaptive control architecture in which an adaptive feedback (AF) controller guarantees a precise, compliant, and stable control during the manipulation of objects. Therefore, this approach efficiently integrates a bio-inspired module (cerebellar circuitry) with a machine learning component (LWPR). The cerebellar-LWPR synergy makes the robot adaptable to changing conditions. We evaluate how this scheme scales for robot-arms of a high number of degrees of freedom (DOFs) using a simulated model of a robot arm of the new generation of light weight robots (LWRs).

Tapping and listening: a new approach to bolt looseness monitoring

NASA Astrophysics Data System (ADS)

Kong, Qingzhao; Zhu, Junxiao; Ho, Siu Chun Michael; Song, Gangbing

2018-07-01

Bolted joints are among the most common building blocks used across different types of structures, and are often the key components that sew all other structural parts together. Monitoring and assessment of looseness in bolted structures is one of the most attractive topics in mechanical, aerospace, and civil engineering. This paper presents a new percussion-based non-destructive approach to determine the health condition of bolted joints with the help of machine learning. The proposed method is very similar to the percussive diagnostic techniques used in clinical examinations to diagnose the health of patients. Due to the different interfacial properties among the bolts, nuts and the host structure, bolted joints can generate unique sounds when it is excited by impacts, such as from tapping. Power spectrum density, as a signal feature, was used to recognize and classify recorded tapping data. A machine learning model using the decision tree method was employed to identify the bolt looseness level. Experiments demonstrated that the newly proposed method for bolt looseness detection is very easy to implement by ‘listening to tapping’ and the monitoring accuracy is very high. With the rapid in robotics, the proposed approach has great potential to be implemented with intimately weaving robotics and machine learning to produce a cyber-physical system that can automatically inspect and determine the health of a structure.

Predicting DPP-IV inhibitors with machine learning approaches

NASA Astrophysics Data System (ADS)

Cai, Jie; Li, Chanjuan; Liu, Zhihong; Du, Jiewen; Ye, Jiming; Gu, Qiong; Xu, Jun

2017-04-01

Dipeptidyl peptidase IV (DPP-IV) is a promising Type 2 diabetes mellitus (T2DM) drug target. DPP-IV inhibitors prolong the action of glucagon-like peptide-1 (GLP-1) and gastric inhibitory peptide (GIP), improve glucose homeostasis without weight gain, edema, and hypoglycemia. However, the marketed DPP-IV inhibitors have adverse effects such as nasopharyngitis, headache, nausea, hypersensitivity, skin reactions and pancreatitis. Therefore, it is still expected for novel DPP-IV inhibitors with minimal adverse effects. The scaffolds of existing DPP-IV inhibitors are structurally diversified. This makes it difficult to build virtual screening models based upon the known DPP-IV inhibitor libraries using conventional QSAR approaches. In this paper, we report a new strategy to predict DPP-IV inhibitors with machine learning approaches involving naïve Bayesian (NB) and recursive partitioning (RP) methods. We built 247 machine learning models based on 1307 known DPP-IV inhibitors with optimized molecular properties and topological fingerprints as descriptors. The overall predictive accuracies of the optimized models were greater than 80%. An external test set, composed of 65 recently reported compounds, was employed to validate the optimized models. The results demonstrated that both NB and RP models have a good predictive ability based on different combinations of descriptors. Twenty "good" and twenty "bad" structural fragments for DPP-IV inhibitors can also be derived from these models for inspiring the new DPP-IV inhibitor scaffold design.

Rare events modeling with support vector machine: Application to forecasting large-amplitude geomagnetic substorms and extreme events in financial markets.

NASA Astrophysics Data System (ADS)

Gavrishchaka, V. V.; Ganguli, S. B.

2001-12-01

Reliable forecasting of rare events in a complex dynamical system is a challenging problem that is important for many practical applications. Due to the nature of rare events, data set available for construction of the statistical and/or machine learning model is often very limited and incomplete. Therefore many widely used approaches including such robust algorithms as neural networks can easily become inadequate for rare events prediction. Moreover in many practical cases models with high-dimensional inputs are required. This limits applications of the existing rare event modeling techniques (e.g., extreme value theory) that focus on univariate cases. These approaches are not easily extended to multivariate cases. Support vector machine (SVM) is a machine learning system that can provide an optimal generalization using very limited and incomplete training data sets and can efficiently handle high-dimensional data. These features may allow to use SVM to model rare events in some applications. We have applied SVM-based system to the problem of large-amplitude substorm prediction and extreme event forecasting in stock and currency exchange markets. Encouraging preliminary results will be presented and other possible applications of the system will be discussed.

Improving the Spatial Prediction of Soil Organic Carbon Stocks in a Complex Tropical Mountain Landscape by Methodological Specifications in Machine Learning Approaches

PubMed Central

Schmidt, Johannes; Glaser, Bruno

2016-01-01

Tropical forests are significant carbon sinks and their soils’ carbon storage potential is immense. However, little is known about the soil organic carbon (SOC) stocks of tropical mountain areas whose complex soil-landscape and difficult accessibility pose a challenge to spatial analysis. The choice of methodology for spatial prediction is of high importance to improve the expected poor model results in case of low predictor-response correlations. Four aspects were considered to improve model performance in predicting SOC stocks of the organic layer of a tropical mountain forest landscape: Different spatial predictor settings, predictor selection strategies, various machine learning algorithms and model tuning. Five machine learning algorithms: random forests, artificial neural networks, multivariate adaptive regression splines, boosted regression trees and support vector machines were trained and tuned to predict SOC stocks from predictors derived from a digital elevation model and satellite image. Topographical predictors were calculated with a GIS search radius of 45 to 615 m. Finally, three predictor selection strategies were applied to the total set of 236 predictors. All machine learning algorithms—including the model tuning and predictor selection—were compared via five repetitions of a tenfold cross-validation. The boosted regression tree algorithm resulted in the overall best model. SOC stocks ranged between 0.2 to 17.7 kg m-2, displaying a huge variability with diffuse insolation and curvatures of different scale guiding the spatial pattern. Predictor selection and model tuning improved the models’ predictive performance in all five machine learning algorithms. The rather low number of selected predictors favours forward compared to backward selection procedures. Choosing predictors due to their indiviual performance was vanquished by the two procedures which accounted for predictor interaction. PMID:27128736

Towards large-scale FAME-based bacterial species identification using machine learning techniques.

PubMed

Slabbinck, Bram; De Baets, Bernard; Dawyndt, Peter; De Vos, Paul

2009-05-01

In the last decade, bacterial taxonomy witnessed a huge expansion. The swift pace of bacterial species (re-)definitions has a serious impact on the accuracy and completeness of first-line identification methods. Consequently, back-end identification libraries need to be synchronized with the List of Prokaryotic names with Standing in Nomenclature. In this study, we focus on bacterial fatty acid methyl ester (FAME) profiling as a broadly used first-line identification method. From the BAME@LMG database, we have selected FAME profiles of individual strains belonging to the genera Bacillus, Paenibacillus and Pseudomonas. Only those profiles resulting from standard growth conditions have been retained. The corresponding data set covers 74, 44 and 95 validly published bacterial species, respectively, represented by 961, 378 and 1673 standard FAME profiles. Through the application of machine learning techniques in a supervised strategy, different computational models have been built for genus and species identification. Three techniques have been considered: artificial neural networks, random forests and support vector machines. Nearly perfect identification has been achieved at genus level. Notwithstanding the known limited discriminative power of FAME analysis for species identification, the computational models have resulted in good species identification results for the three genera. For Bacillus, Paenibacillus and Pseudomonas, random forests have resulted in sensitivity values, respectively, 0.847, 0.901 and 0.708. The random forests models outperform those of the other machine learning techniques. Moreover, our machine learning approach also outperformed the Sherlock MIS (MIDI Inc., Newark, DE, USA). These results show that machine learning proves very useful for FAME-based bacterial species identification. Besides good bacterial identification at species level, speed and ease of taxonomic synchronization are major advantages of this computational species identification strategy.

Improving the Spatial Prediction of Soil Organic Carbon Stocks in a Complex Tropical Mountain Landscape by Methodological Specifications in Machine Learning Approaches.

PubMed

Ließ, Mareike; Schmidt, Johannes; Glaser, Bruno

2016-01-01

Tropical forests are significant carbon sinks and their soils' carbon storage potential is immense. However, little is known about the soil organic carbon (SOC) stocks of tropical mountain areas whose complex soil-landscape and difficult accessibility pose a challenge to spatial analysis. The choice of methodology for spatial prediction is of high importance to improve the expected poor model results in case of low predictor-response correlations. Four aspects were considered to improve model performance in predicting SOC stocks of the organic layer of a tropical mountain forest landscape: Different spatial predictor settings, predictor selection strategies, various machine learning algorithms and model tuning. Five machine learning algorithms: random forests, artificial neural networks, multivariate adaptive regression splines, boosted regression trees and support vector machines were trained and tuned to predict SOC stocks from predictors derived from a digital elevation model and satellite image. Topographical predictors were calculated with a GIS search radius of 45 to 615 m. Finally, three predictor selection strategies were applied to the total set of 236 predictors. All machine learning algorithms-including the model tuning and predictor selection-were compared via five repetitions of a tenfold cross-validation. The boosted regression tree algorithm resulted in the overall best model. SOC stocks ranged between 0.2 to 17.7 kg m-2, displaying a huge variability with diffuse insolation and curvatures of different scale guiding the spatial pattern. Predictor selection and model tuning improved the models' predictive performance in all five machine learning algorithms. The rather low number of selected predictors favours forward compared to backward selection procedures. Choosing predictors due to their indiviual performance was vanquished by the two procedures which accounted for predictor interaction.

Use of Machine Learning Classifiers and Sensor Data to Detect Neurological Deficit in Stroke Patients.

PubMed

Park, Eunjeong; Chang, Hyuk-Jae; Nam, Hyo Suk

2017-04-18

The pronator drift test (PDT), a neurological examination, is widely used in clinics to measure motor weakness of stroke patients. The aim of this study was to develop a PDT tool with machine learning classifiers to detect stroke symptoms based on quantification of proximal arm weakness using inertial sensors and signal processing. We extracted features of drift and pronation from accelerometer signals of wearable devices on the inner wrists of 16 stroke patients and 10 healthy controls. Signal processing and feature selection approach were applied to discriminate PDT features used to classify stroke patients. A series of machine learning techniques, namely support vector machine (SVM), radial basis function network (RBFN), and random forest (RF), were implemented to discriminate stroke patients from controls with leave-one-out cross-validation. Signal processing by the PDT tool extracted a total of 12 PDT features from sensors. Feature selection abstracted the major attributes from the 12 PDT features to elucidate the dominant characteristics of proximal weakness of stroke patients using machine learning classification. Our proposed PDT classifiers had an area under the receiver operating characteristic curve (AUC) of .806 (SVM), .769 (RBFN), and .900 (RF) without feature selection, and feature selection improves the AUCs to .913 (SVM), .956 (RBFN), and .975 (RF), representing an average performance enhancement of 15.3%. Sensors and machine learning methods can reliably detect stroke signs and quantify proximal arm weakness. Our proposed solution will facilitate pervasive monitoring of stroke patients. ©Eunjeong Park, Hyuk-Jae Chang, Hyo Suk Nam. Originally published in the Journal of Medical Internet Research (http://www.jmir.org), 18.04.2017.

Combining Machine Learning and Nanofluidic Technology To Diagnose Pancreatic Cancer Using Exosomes.

PubMed

Ko, Jina; Bhagwat, Neha; Yee, Stephanie S; Ortiz, Natalia; Sahmoud, Amine; Black, Taylor; Aiello, Nicole M; McKenzie, Lydie; O'Hara, Mark; Redlinger, Colleen; Romeo, Janae; Carpenter, Erica L; Stanger, Ben Z; Issadore, David

2017-11-28

Circulating exosomes contain a wealth of proteomic and genetic information, presenting an enormous opportunity in cancer diagnostics. While microfluidic approaches have been used to successfully isolate cells from complex samples, scaling these approaches for exosome isolation has been limited by the low throughput and susceptibility to clogging of nanofluidics. Moreover, the analysis of exosomal biomarkers is confounded by substantial heterogeneity between patients and within a tumor itself. To address these challenges, we developed a multichannel nanofluidic system to analyze crude clinical samples. Using this platform, we isolated exosomes from healthy and diseased murine and clinical cohorts, profiled the RNA cargo inside of these exosomes, and applied a machine learning algorithm to generate predictive panels that could identify samples derived from heterogeneous cancer-bearing individuals. Using this approach, we classified cancer and precancer mice from healthy controls, as well as pancreatic cancer patients from healthy controls, in blinded studies.

Using High Performance Computing to Examine the Processes of Neurogenesis Underlying Pattern Separation and Completion of Episodic Information.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aimone, James Bradley; Bernard, Michael Lewis; Vineyard, Craig Michael

2014-10-01

Adult neurogenesis in the hippocampus region of the brain is a neurobiological process that is believed to contribute to the brain's advanced abilities in complex pattern recognition and cognition. Here, we describe how realistic scale simulations of the neurogenesis process can offer both a unique perspective on the biological relevance of this process and confer computational insights that are suggestive of novel machine learning techniques. First, supercomputer based scaling studies of the neurogenesis process demonstrate how a small fraction of adult-born neurons have a uniquely larger impact in biologically realistic scaled networks. Second, we describe a novel technical approach bymore » which the information content of ensembles of neurons can be estimated. Finally, we illustrate several examples of broader algorithmic impact of neurogenesis, including both extending existing machine learning approaches and novel approaches for intelligent sensing.« less

Developing a local least-squares support vector machines-based neuro-fuzzy model for nonlinear and chaotic time series prediction.

PubMed

Miranian, A; Abdollahzade, M

2013-02-01

Local modeling approaches, owing to their ability to model different operating regimes of nonlinear systems and processes by independent local models, seem appealing for modeling, identification, and prediction applications. In this paper, we propose a local neuro-fuzzy (LNF) approach based on the least-squares support vector machines (LSSVMs). The proposed LNF approach employs LSSVMs, which are powerful in modeling and predicting time series, as local models and uses hierarchical binary tree (HBT) learning algorithm for fast and efficient estimation of its parameters. The HBT algorithm heuristically partitions the input space into smaller subdomains by axis-orthogonal splits. In each partitioning, the validity functions automatically form a unity partition and therefore normalization side effects, e.g., reactivation, are prevented. Integration of LSSVMs into the LNF network as local models, along with the HBT learning algorithm, yield a high-performance approach for modeling and prediction of complex nonlinear time series. The proposed approach is applied to modeling and predictions of different nonlinear and chaotic real-world and hand-designed systems and time series. Analysis of the prediction results and comparisons with recent and old studies demonstrate the promising performance of the proposed LNF approach with the HBT learning algorithm for modeling and prediction of nonlinear and chaotic systems and time series.

A Machine LearningFramework to Forecast Wave Conditions

NASA Astrophysics Data System (ADS)

Zhang, Y.; James, S. C.; O'Donncha, F.

2017-12-01

Recently, significant effort has been undertaken to quantify and extract wave energy because it is renewable, environmental friendly, abundant, and often close to population centers. However, a major challenge is the ability to accurately and quickly predict energy production, especially across a 48-hour cycle. Accurate forecasting of wave conditions is a challenging undertaking that typically involves solving the spectral action-balance equation on a discretized grid with high spatial resolution. The nature of the computations typically demands high-performance computing infrastructure. Using a case-study site at Monterey Bay, California, a machine learning framework was trained to replicate numerically simulated wave conditions at a fraction of the typical computational cost. Specifically, the physics-based Simulating WAves Nearshore (SWAN) model, driven by measured wave conditions, nowcast ocean currents, and wind data, was used to generate training data for machine learning algorithms. The model was run between April 1st, 2013 and May 31st, 2017 generating forecasts at three-hour intervals yielding 11,078 distinct model outputs. SWAN-generated fields of 3,104 wave heights and a characteristic period could be replicated through simple matrix multiplications using the mapping matrices from machine learning algorithms. In fact, wave-height RMSEs from the machine learning algorithms (9 cm) were less than those for the SWAN model-verification exercise where those simulations were compared to buoy wave data within the model domain (>40 cm). The validated machine learning approach, which acts as an accurate surrogate for the SWAN model, can now be used to perform real-time forecasts of wave conditions for the next 48 hours using available forecasted boundary wave conditions, ocean currents, and winds. This solution has obvious applications to wave-energy generation as accurate wave conditions can be forecasted with over a three-order-of-magnitude reduction in computational expense. The low computational cost (and by association low computer-power requirement) means that the machine learning algorithms could be installed on a wave-energy converter as a form of "edge computing" where a device could forecast its own 48-hour energy production.

A novel semi-transductive learning framework for efficient atypicality detection in chest radiographs

NASA Astrophysics Data System (ADS)

Alzubaidi, Mohammad; Balasubramanian, Vineeth; Patel, Ameet; Panchanathan, Sethuraman; Black, John A., Jr.

2012-03-01

Inductive learning refers to machine learning algorithms that learn a model from a set of training data instances. Any test instance is then classified by comparing it to the learned model. When the set of training instances lend themselves well to modeling, the use of a model substantially reduces the computation cost of classification. However, some training data sets are complex, and do not lend themselves well to modeling. Transductive learning refers to machine learning algorithms that classify test instances by comparing them to all of the training instances, without creating an explicit model. This can produce better classification performance, but at a much higher computational cost. Medical images vary greatly across human populations, constituting a data set that does not lend itself well to modeling. Our previous work showed that the wide variations seen across training sets of "normal" chest radiographs make it difficult to successfully classify test radiographs with an inductive (modeling) approach, and that a transductive approach leads to much better performance in detecting atypical regions. The problem with the transductive approach is its high computational cost. This paper develops and demonstrates a novel semi-transductive framework that can address the unique challenges of atypicality detection in chest radiographs. The proposed framework combines the superior performance of transductive methods with the reduced computational cost of inductive methods. Our results show that the proposed semitransductive approach provides both effective and efficient detection of atypical regions within a set of chest radiographs previously labeled by Mayo Clinic expert thoracic radiologists.

Distance Metric Learning via Iterated Support Vector Machines.

PubMed

Zuo, Wangmeng; Wang, Faqiang; Zhang, David; Lin, Liang; Huang, Yuchi; Meng, Deyu; Zhang, Lei

2017-07-11

Distance metric learning aims to learn from the given training data a valid distance metric, with which the similarity between data samples can be more effectively evaluated for classification. Metric learning is often formulated as a convex or nonconvex optimization problem, while most existing methods are based on customized optimizers and become inefficient for large scale problems. In this paper, we formulate metric learning as a kernel classification problem with the positive semi-definite constraint, and solve it by iterated training of support vector machines (SVMs). The new formulation is easy to implement and efficient in training with the off-the-shelf SVM solvers. Two novel metric learning models, namely Positive-semidefinite Constrained Metric Learning (PCML) and Nonnegative-coefficient Constrained Metric Learning (NCML), are developed. Both PCML and NCML can guarantee the global optimality of their solutions. Experiments are conducted on general classification, face verification and person re-identification to evaluate our methods. Compared with the state-of-the-art approaches, our methods can achieve comparable classification accuracy and are efficient in training.

Using Machine Learning and Natural Language Processing Algorithms to Automate the Evaluation of Clinical Decision Support in Electronic Medical Record Systems.

PubMed

Szlosek, Donald A; Ferrett, Jonathan

2016-01-01

As the number of clinical decision support systems (CDSSs) incorporated into electronic medical records (EMRs) increases, so does the need to evaluate their effectiveness. The use of medical record review and similar manual methods for evaluating decision rules is laborious and inefficient. The authors use machine learning and Natural Language Processing (NLP) algorithms to accurately evaluate a clinical decision support rule through an EMR system, and they compare it against manual evaluation. Modeled after the EMR system EPIC at Maine Medical Center, we developed a dummy data set containing physician notes in free text for 3,621 artificial patients records undergoing a head computed tomography (CT) scan for mild traumatic brain injury after the incorporation of an electronic best practice approach. We validated the accuracy of the Best Practice Advisories (BPA) using three machine learning algorithms-C-Support Vector Classification (SVC), Decision Tree Classifier (DecisionTreeClassifier), k-nearest neighbors classifier (KNeighborsClassifier)-by comparing their accuracy for adjudicating the occurrence of a mild traumatic brain injury against manual review. We then used the best of the three algorithms to evaluate the effectiveness of the BPA, and we compared the algorithm's evaluation of the BPA to that of manual review. The electronic best practice approach was found to have a sensitivity of 98.8 percent (96.83-100.0), specificity of 10.3 percent, PPV = 7.3 percent, and NPV = 99.2 percent when reviewed manually by abstractors. Though all the machine learning algorithms were observed to have a high level of prediction, the SVC displayed the highest with a sensitivity 93.33 percent (92.49-98.84), specificity of 97.62 percent (96.53-98.38), PPV = 50.00, NPV = 99.83. The SVC algorithm was observed to have a sensitivity of 97.9 percent (94.7-99.86), specificity 10.30 percent, PPV 7.25 percent, and NPV 99.2 percent for evaluating the best practice approach, after accounting for 17 cases (0.66 percent) where the patient records had to be reviewed manually due to the NPL systems inability to capture the proper diagnosis. CDSSs incorporated into EMRs can be evaluated in an automatic fashion by using NLP and machine learning techniques.

Reviewing the connection between speech and obstructive sleep apnea.

PubMed

Espinoza-Cuadros, Fernando; Fernández-Pozo, Rubén; Toledano, Doroteo T; Alcázar-Ramírez, José D; López-Gonzalo, Eduardo; Hernández-Gómez, Luis A

2016-02-20

Sleep apnea (OSA) is a common sleep disorder characterized by recurring breathing pauses during sleep caused by a blockage of the upper airway (UA). The altered UA structure or function in OSA speakers has led to hypothesize the automatic analysis of speech for OSA assessment. In this paper we critically review several approaches using speech analysis and machine learning techniques for OSA detection, and discuss the limitations that can arise when using machine learning techniques for diagnostic applications. A large speech database including 426 male Spanish speakers suspected to suffer OSA and derived to a sleep disorders unit was used to study the clinical validity of several proposals using machine learning techniques to predict the apnea-hypopnea index (AHI) or classify individuals according to their OSA severity. AHI describes the severity of patients' condition. We first evaluate AHI prediction using state-of-the-art speaker recognition technologies: speech spectral information is modelled using supervectors or i-vectors techniques, and AHI is predicted through support vector regression (SVR). Using the same database we then critically review several OSA classification approaches previously proposed. The influence and possible interference of other clinical variables or characteristics available for our OSA population: age, height, weight, body mass index, and cervical perimeter, are also studied. The poor results obtained when estimating AHI using supervectors or i-vectors followed by SVR contrast with the positive results reported by previous research. This fact prompted us to a careful review of these approaches, also testing some reported results over our database. Several methodological limitations and deficiencies were detected that may have led to overoptimistic results. The methodological deficiencies observed after critically reviewing previous research can be relevant examples of potential pitfalls when using machine learning techniques for diagnostic applications. We have found two common limitations that can explain the likelihood of false discovery in previous research: (1) the use of prediction models derived from sources, such as speech, which are also correlated with other patient characteristics (age, height, sex,…) that act as confounding factors; and (2) overfitting of feature selection and validation methods when working with a high number of variables compared to the number of cases. We hope this study could not only be a useful example of relevant issues when using machine learning for medical diagnosis, but it will also help in guiding further research on the connection between speech and OSA.

Center for Parallel Optimization.

DTIC Science & Technology

1996-03-19

A NEW OPTIMIZATION BASED APPROACH TO IMPROVING GENERALIZATION IN MACHINE LEARNING HAS BEEN PROPOSED AND COMPUTATIONALLY VALIDATED ON SIMPLE LINEAR MODELS AS WELL AS ON HIGHLY NONLINEAR SYSTEMS SUCH AS NEURAL NETWORKS.

CD process control through machine learning

NASA Astrophysics Data System (ADS)

Utzny, Clemens

2016-10-01

For the specific requirements of the 14nm and 20nm site applications a new CD map approach was developed at the AMTC. This approach relies on a well established machine learning technique called recursive partitioning. Recursive partitioning is a powerful technique which creates a decision tree by successively testing whether the quantity of interest can be explained by one of the supplied covariates. The test performed is generally a statistical test with a pre-supplied significance level. Once the test indicates significant association between the variable of interest and a covariate a split performed at a threshold value which minimizes the variation within the newly attained groups. This partitioning is recurred until either no significant association can be detected or the resulting sub group size falls below a pre-supplied level.

Machine learning action parameters in lattice quantum chromodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shanahan, Phiala; Trewartha, Daneil; Detmold, William

Numerical lattice quantum chromodynamics studies of the strong interaction underpin theoretical understanding of many aspects of particle and nuclear physics. Such studies require significant computing resources to undertake. A number of proposed methods promise improved efficiency of lattice calculations, and access to regions of parameter space that are currently computationally intractable, via multi-scale action-matching approaches that necessitate parametric regression of generated lattice datasets. The applicability of machine learning to this regression task is investigated, with deep neural networks found to provide an efficient solution even in cases where approaches such as principal component analysis fail. Finally, the high information contentmore » and complex symmetries inherent in lattice QCD datasets require custom neural network layers to be introduced and present opportunities for further development.« less

Machine learning action parameters in lattice quantum chromodynamics

DOE PAGES

Shanahan, Phiala; Trewartha, Daneil; Detmold, William

2018-05-16

Numerical lattice quantum chromodynamics studies of the strong interaction underpin theoretical understanding of many aspects of particle and nuclear physics. Such studies require significant computing resources to undertake. A number of proposed methods promise improved efficiency of lattice calculations, and access to regions of parameter space that are currently computationally intractable, via multi-scale action-matching approaches that necessitate parametric regression of generated lattice datasets. The applicability of machine learning to this regression task is investigated, with deep neural networks found to provide an efficient solution even in cases where approaches such as principal component analysis fail. Finally, the high information contentmore » and complex symmetries inherent in lattice QCD datasets require custom neural network layers to be introduced and present opportunities for further development.« less

Evaluation of an Integrated Multi-Task Machine Learning System with Humans in the Loop

DTIC Science & Technology

2007-01-01

machine learning components natural language processing, and optimization...was examined with a test explicitly developed to measure the impact of integrated machine learning when used by a human user in a real world setting...study revealed that integrated machine learning does produce a positive impact on overall performance. This paper also discusses how specific machine learning components contributed to human-system

Machine Learning Approaches for Predicting Human Skin Sensitization Hazard

EPA Science Inventory

One of ICCVAM’s top priorities is the development and evaluation of non-animal approaches to identify potential skin sensitizers. The complexity of biological events necessary for a substance to elicit a skin sensitization reaction suggests that no single in chemico, in vit...

Coupling machine learning with mechanistic models to study runoff production and river flow at the hillslope scale

NASA Astrophysics Data System (ADS)

Marçais, J.; Gupta, H. V.; De Dreuzy, J. R.; Troch, P. A. A.

2016-12-01

Geomorphological structure and geological heterogeneity of hillslopes are major controls on runoff responses. The diversity of hillslopes (morphological shapes and geological structures) on one hand, and the highly non linear runoff mechanism response on the other hand, make it difficult to transpose what has been learnt at one specific hillslope to another. Therefore, making reliable predictions on runoff appearance or river flow for a given hillslope is a challenge. Applying a classic model calibration (based on inverse problems technique) requires doing it for each specific hillslope and having some data available for calibration. When applied to thousands of cases it cannot always be promoted. Here we propose a novel modeling framework based on coupling process based models with data based approach. First we develop a mechanistic model, based on hillslope storage Boussinesq equations (Troch et al. 2003), able to model non linear runoff responses to rainfall at the hillslope scale. Second we set up a model database, representing thousands of non calibrated simulations. These simulations investigate different hillslope shapes (real ones obtained by analyzing 5m digital elevation model of Brittany and synthetic ones), different hillslope geological structures (i.e. different parametrizations) and different hydrologic forcing terms (i.e. different infiltration chronicles). Then, we use this model library to train a machine learning model on this physically based database. Machine learning model performance is then assessed by a classic validating phase (testing it on new hillslopes and comparing machine learning with mechanistic outputs). Finally we use this machine learning model to learn what are the hillslope properties controlling runoffs. This methodology will be further tested combining synthetic datasets with real ones.

Identification and individualized prediction of clinical phenotypes in bipolar disorders using neurocognitive data, neuroimaging scans and machine learning.

PubMed

Wu, Mon-Ju; Mwangi, Benson; Bauer, Isabelle E; Passos, Ives C; Sanches, Marsal; Zunta-Soares, Giovana B; Meyer, Thomas D; Hasan, Khader M; Soares, Jair C

2017-01-15

Diagnosis, clinical management and research of psychiatric disorders remain subjective - largely guided by historically developed categories which may not effectively capture underlying pathophysiological mechanisms of dysfunction. Here, we report a novel approach of identifying and validating distinct and biologically meaningful clinical phenotypes of bipolar disorders using both unsupervised and supervised machine learning techniques. First, neurocognitive data were analyzed using an unsupervised machine learning approach and two distinct clinical phenotypes identified namely; phenotype I and phenotype II. Second, diffusion weighted imaging scans were pre-processed using the tract-based spatial statistics (TBSS) method and 'skeletonized' white matter fractional anisotropy (FA) and mean diffusivity (MD) maps extracted. The 'skeletonized' white matter FA and MD maps were entered into the Elastic Net machine learning algorithm to distinguish individual subjects' phenotypic labels (e.g. phenotype I vs. phenotype II). This calculation was performed to ascertain whether the identified clinical phenotypes were biologically distinct. Original neurocognitive measurements distinguished individual subjects' phenotypic labels with 94% accuracy (sensitivity=92%, specificity=97%). TBSS derived FA and MD measurements predicted individual subjects' phenotypic labels with 76% and 65% accuracy respectively. In addition, individual subjects belonging to phenotypes I and II were distinguished from healthy controls with 57% and 92% accuracy respectively. Neurocognitive task variables identified as most relevant in distinguishing phenotypic labels included; Affective Go/No-Go (AGN), Cambridge Gambling Task (CGT) coupled with inferior fronto-occipital fasciculus and callosal white matter pathways. These results suggest that there may exist two biologically distinct clinical phenotypes in bipolar disorders which can be identified from healthy controls with high accuracy and at an individual subject level. We suggest a strong clinical utility of the proposed approach in defining and validating biologically meaningful and less heterogeneous clinical sub-phenotypes of major psychiatric disorders. Copyright © 2016 Elsevier Inc. All rights reserved.

An Android malware detection system based on machine learning

NASA Astrophysics Data System (ADS)

Wen, Long; Yu, Haiyang

2017-08-01

The Android smartphone, with its open source character and excellent performance, has attracted many users. However, the convenience of the Android platform also has motivated the development of malware. The traditional method which detects the malware based on the signature is unable to detect unknown applications. The article proposes a machine learning-based lightweight system that is capable of identifying malware on Android devices. In this system we extract features based on the static analysis and the dynamitic analysis, then a new feature selection approach based on principle component analysis (PCA) and relief are presented in the article to decrease the dimensions of the features. After that, a model will be constructed with support vector machine (SVM) for classification. Experimental results show that our system provides an effective method in Android malware detection.

Learn the Lagrangian: A Vector-Valued RKHS Approach to Identifying Lagrangian Systems.

PubMed

Cheng, Ching-An; Huang, Han-Pang

2016-12-01

We study the modeling of Lagrangian systems with multiple degrees of freedom. Based on system dynamics, canonical parametric models require ad hoc derivations and sometimes simplification for a computable solution; on the other hand, due to the lack of prior knowledge in the system's structure, modern nonparametric models in machine learning face the curse of dimensionality, especially in learning large systems. In this paper, we bridge this gap by unifying the theories of Lagrangian systems and vector-valued reproducing kernel Hilbert space. We reformulate Lagrangian systems with kernels that embed the governing Euler-Lagrange equation-the Lagrangian kernels-and show that these kernels span a subspace capturing the Lagrangian's projection as inverse dynamics. By such property, our model uses only inputs and outputs as in machine learning and inherits the structured form as in system dynamics, thereby removing the need for the mundane derivations for new systems as well as the generalization problem in learning from scratches. In effect, it learns the system's Lagrangian, a simpler task than directly learning the dynamics. To demonstrate, we applied the proposed kernel to identify the robot inverse dynamics in simulations and experiments. Our results present a competitive novel approach to identifying Lagrangian systems, despite using only inputs and outputs.

Prediction task guided representation learning of medical codes in EHR.

PubMed

Cui, Liwen; Xie, Xiaolei; Shen, Zuojun

2018-06-18

There have been rapidly growing applications using machine learning models for predictive analytics in Electronic Health Records (EHR) to improve the quality of hospital services and the efficiency of healthcare resource utilization. A fundamental and crucial step in developing such models is to convert medical codes in EHR to feature vectors. These medical codes are used to represent diagnoses or procedures. Their vector representations have a tremendous impact on the performance of machine learning models. Recently, some researchers have utilized representation learning methods from Natural Language Processing (NLP) to learn vector representations of medical codes. However, most previous approaches are unsupervised, i.e. the generation of medical code vectors is independent from prediction tasks. Thus, the obtained feature vectors may be inappropriate for a specific prediction task. Moreover, unsupervised methods often require a lot of samples to obtain reliable results, but most practical problems have very limited patient samples. In this paper, we develop a new method called Prediction Task Guided Health Record Aggregation (PTGHRA), which aggregates health records guided by prediction tasks, to construct training corpus for various representation learning models. Compared with unsupervised approaches, representation learning models integrated with PTGHRA yield a significant improvement in predictive capability of generated medical code vectors, especially for limited training samples. Copyright © 2018. Published by Elsevier Inc.

The value of prior knowledge in machine learning of complex network systems.

PubMed

Ferranti, Dana; Krane, David; Craft, David

2017-11-15

Our overall goal is to develop machine-learning approaches based on genomics and other relevant accessible information for use in predicting how a patient will respond to a given proposed drug or treatment. Given the complexity of this problem, we begin by developing, testing and analyzing learning methods using data from simulated systems, which allows us access to a known ground truth. We examine the benefits of using prior system knowledge and investigate how learning accuracy depends on various system parameters as well as the amount of training data available. The simulations are based on Boolean networks-directed graphs with 0/1 node states and logical node update rules-which are the simplest computational systems that can mimic the dynamic behavior of cellular systems. Boolean networks can be generated and simulated at scale, have complex yet cyclical dynamics and as such provide a useful framework for developing machine-learning algorithms for modular and hierarchical networks such as biological systems in general and cancer in particular. We demonstrate that utilizing prior knowledge (in the form of network connectivity information), without detailed state equations, greatly increases the power of machine-learning algorithms to predict network steady-state node values ('phenotypes') and perturbation responses ('drug effects'). Links to codes and datasets here: https://gray.mgh.harvard.edu/people-directory/71-david-craft-phd. dcraft@broadinstitute.org. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Using Active Learning for Speeding up Calibration in Simulation Models.

PubMed

Cevik, Mucahit; Ergun, Mehmet Ali; Stout, Natasha K; Trentham-Dietz, Amy; Craven, Mark; Alagoz, Oguzhan

2016-07-01

Most cancer simulation models include unobservable parameters that determine disease onset and tumor growth. These parameters play an important role in matching key outcomes such as cancer incidence and mortality, and their values are typically estimated via a lengthy calibration procedure, which involves evaluating a large number of combinations of parameter values via simulation. The objective of this study is to demonstrate how machine learning approaches can be used to accelerate the calibration process by reducing the number of parameter combinations that are actually evaluated. Active learning is a popular machine learning method that enables a learning algorithm such as artificial neural networks to interactively choose which parameter combinations to evaluate. We developed an active learning algorithm to expedite the calibration process. Our algorithm determines the parameter combinations that are more likely to produce desired outputs and therefore reduces the number of simulation runs performed during calibration. We demonstrate our method using the previously developed University of Wisconsin breast cancer simulation model (UWBCS). In a recent study, calibration of the UWBCS required the evaluation of 378 000 input parameter combinations to build a race-specific model, and only 69 of these combinations produced results that closely matched observed data. By using the active learning algorithm in conjunction with standard calibration methods, we identify all 69 parameter combinations by evaluating only 5620 of the 378 000 combinations. Machine learning methods hold potential in guiding model developers in the selection of more promising parameter combinations and hence speeding up the calibration process. Applying our machine learning algorithm to one model shows that evaluating only 1.49% of all parameter combinations would be sufficient for the calibration. © The Author(s) 2015.

Using Active Learning for Speeding up Calibration in Simulation Models

PubMed Central

Cevik, Mucahit; Ali Ergun, Mehmet; Stout, Natasha K.; Trentham-Dietz, Amy; Craven, Mark; Alagoz, Oguzhan

2015-01-01

Background Most cancer simulation models include unobservable parameters that determine the disease onset and tumor growth. These parameters play an important role in matching key outcomes such as cancer incidence and mortality and their values are typically estimated via lengthy calibration procedure, which involves evaluating large number of combinations of parameter values via simulation. The objective of this study is to demonstrate how machine learning approaches can be used to accelerate the calibration process by reducing the number of parameter combinations that are actually evaluated. Methods Active learning is a popular machine learning method that enables a learning algorithm such as artificial neural networks to interactively choose which parameter combinations to evaluate. We develop an active learning algorithm to expedite the calibration process. Our algorithm determines the parameter combinations that are more likely to produce desired outputs, therefore reduces the number of simulation runs performed during calibration. We demonstrate our method using previously developed University of Wisconsin Breast Cancer Simulation Model (UWBCS). Results In a recent study, calibration of the UWBCS required the evaluation of 378,000 input parameter combinations to build a race-specific model and only 69 of these combinations produced results that closely matched observed data. By using the active learning algorithm in conjunction with standard calibration methods, we identify all 69 parameter combinations by evaluating only 5620 of the 378,000 combinations. Conclusion Machine learning methods hold potential in guiding model developers in the selection of more promising parameter combinations and hence speeding up the calibration process. Applying our machine learning algorithm to one model shows that evaluating only 1.49% of all parameter combinations would be sufficient for the calibration. PMID:26471190

Machine Learning Force Field Parameters from Ab Initio Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Ying; Li, Hui; Pickard, Frank C.

Machine learning (ML) techniques with the genetic algorithm (GA) have been applied to determine a polarizable force field parameters using only ab initio data from quantum mechanics (QM) calculations of molecular clusters at the MP2/6-31G(d,p), DFMP2(fc)/jul-cc-pVDZ, and DFMP2(fc)/jul-cc-pVTZ levels to predict experimental condensed phase properties (i.e., density and heat of vaporization). The performance of this ML/GA approach is demonstrated on 4943 dimer electrostatic potentials and 1250 cluster interaction energies for methanol. Excellent agreement between the training data set from QM calculations and the optimized force field model was achieved. The results were further improved by introducing an offset factor duringmore » the machine learning process to compensate for the discrepancy between the QM calculated energy and the energy reproduced by optimized force field, while maintaining the local “shape” of the QM energy surface. Throughout the machine learning process, experimental observables were not involved in the objective function, but were only used for model validation. The best model, optimized from the QM data at the DFMP2(fc)/jul-cc-pVTZ level, appears to perform even better than the original AMOEBA force field (amoeba09.prm), which was optimized empirically to match liquid properties. The present effort shows the possibility of using machine learning techniques to develop descriptive polarizable force field using only QM data. The ML/GA strategy to optimize force fields parameters described here could easily be extended to other molecular systems.« less

Big Data in radiation therapy: challenges and opportunities.

PubMed

Lustberg, Tim; van Soest, Johan; Jochems, Arthur; Deist, Timo; van Wijk, Yvonka; Walsh, Sean; Lambin, Philippe; Dekker, Andre

2017-01-01

Data collected and generated by radiation oncology can be classified by the Volume, Variety, Velocity and Veracity (4Vs) of Big Data because they are spread across different care providers and not easily shared owing to patient privacy protection. The magnitude of the 4Vs is substantial in oncology, especially owing to imaging modalities and unclear data definitions. To create useful models ideally all data of all care providers are understood and learned from; however, this presents challenges in the guise of poor data quality, patient privacy concerns, geographical spread, interoperability and large volume. In radiation oncology, there are many efforts to collect data for research and innovation purposes. Clinical trials are the gold standard when proving any hypothesis that directly affects the patient. Collecting data in registries with strict predefined rules is also a common approach to find answers. A third approach is to develop data stores that can be used by modern machine learning techniques to provide new insights or answer hypotheses. We believe all three approaches have their strengths and weaknesses, but they should all strive to create Findable, Accessible, Interoperable, Reusable (FAIR) data. To learn from these data, we need distributed learning techniques, sending machine learning algorithms to FAIR data stores around the world, learning from trial data, registries and routine clinical data rather than trying to centralize all data. To improve and personalize medicine, rapid learning platforms must be able to process FAIR "Big Data" to evaluate current clinical practice and to guide further innovation.

Machine learning for outcome prediction of acute ischemic stroke post intra-arterial therapy.

PubMed

Asadi, Hamed; Dowling, Richard; Yan, Bernard; Mitchell, Peter

2014-01-01

Stroke is a major cause of death and disability. Accurately predicting stroke outcome from a set of predictive variables may identify high-risk patients and guide treatment approaches, leading to decreased morbidity. Logistic regression models allow for the identification and validation of predictive variables. However, advanced machine learning algorithms offer an alternative, in particular, for large-scale multi-institutional data, with the advantage of easily incorporating newly available data to improve prediction performance. Our aim was to design and compare different machine learning methods, capable of predicting the outcome of endovascular intervention in acute anterior circulation ischaemic stroke. We conducted a retrospective study of a prospectively collected database of acute ischaemic stroke treated by endovascular intervention. Using SPSS®, MATLAB®, and Rapidminer®, classical statistics as well as artificial neural network and support vector algorithms were applied to design a supervised machine capable of classifying these predictors into potential good and poor outcomes. These algorithms were trained, validated and tested using randomly divided data. We included 107 consecutive acute anterior circulation ischaemic stroke patients treated by endovascular technique. Sixty-six were male and the mean age of 65.3. All the available demographic, procedural and clinical factors were included into the models. The final confusion matrix of the neural network, demonstrated an overall congruency of ∼ 80% between the target and output classes, with favourable receiving operative characteristics. However, after optimisation, the support vector machine had a relatively better performance, with a root mean squared error of 2.064 (SD: ± 0.408). We showed promising accuracy of outcome prediction, using supervised machine learning algorithms, with potential for incorporation of larger multicenter datasets, likely further improving prediction. Finally, we propose that a robust machine learning system can potentially optimise the selection process for endovascular versus medical treatment in the management of acute stroke.

Reducing patient mortality, length of stay and readmissions through machine learning-based sepsis prediction in the emergency department, intensive care unit and hospital floor units

PubMed Central

McCoy, Andrea

2017-01-01

Introduction Sepsis management is a challenge for hospitals nationwide, as severe sepsis carries high mortality rates and costs the US healthcare system billions of dollars each year. It has been shown that early intervention for patients with severe sepsis and septic shock is associated with higher rates of survival. The Cape Regional Medical Center (CRMC) aimed to improve sepsis-related patient outcomes through a revised sepsis management approach. Methods In collaboration with Dascena, CRMC formed a quality improvement team to implement a machine learning-based sepsis prediction algorithm to identify patients with sepsis earlier. Previously, CRMC assessed all patients for sepsis using twice-daily systemic inflammatory response syndrome screenings, but desired improvements. The quality improvement team worked to implement a machine learning-based algorithm, collect and incorporate feedback, and tailor the system to current hospital workflow. Results Relative to the pre-implementation period, the post-implementation period sepsis-related in-hospital mortality rate decreased by 60.24%, sepsis-related hospital length of stay decreased by 9.55% and sepsis-related 30-day readmission rate decreased by 50.14%. Conclusion The machine learning-based sepsis prediction algorithm improved patient outcomes at CRMC. PMID:29450295

Identifying Active Travel Behaviors in Challenging Environments Using GPS, Accelerometers, and Machine Learning Algorithms

PubMed Central

Ellis, Katherine; Godbole, Suneeta; Marshall, Simon; Lanckriet, Gert; Staudenmayer, John; Kerr, Jacqueline

2014-01-01

Background: Active travel is an important area in physical activity research, but objective measurement of active travel is still difficult. Automated methods to measure travel behaviors will improve research in this area. In this paper, we present a supervised machine learning method for transportation mode prediction from global positioning system (GPS) and accelerometer data. Methods: We collected a dataset of about 150 h of GPS and accelerometer data from two research assistants following a protocol of prescribed trips consisting of five activities: bicycling, riding in a vehicle, walking, sitting, and standing. We extracted 49 features from 1-min windows of this data. We compared the performance of several machine learning algorithms and chose a random forest algorithm to classify the transportation mode. We used a moving average output filter to smooth the output predictions over time. Results: The random forest algorithm achieved 89.8% cross-validated accuracy on this dataset. Adding the moving average filter to smooth output predictions increased the cross-validated accuracy to 91.9%. Conclusion: Machine learning methods are a viable approach for automating measurement of active travel, particularly for measuring travel activities that traditional accelerometer data processing methods misclassify, such as bicycling and vehicle travel. PMID:24795875