WorldWideScience

Sample records for machine learning model

  1. Machine learning in sedimentation modelling.

    Science.gov (United States)

    Bhattacharya, B; Solomatine, D P

    2006-03-01

    The paper presents machine learning (ML) models that predict sedimentation in the harbour basin of the Port of Rotterdam. The important factors affecting the sedimentation process such as waves, wind, tides, surge, river discharge, etc. are studied, the corresponding time series data is analysed, missing values are estimated and the most important variables behind the process are chosen as the inputs. Two ML methods are used: MLP ANN and M5 model tree. The latter is a collection of piece-wise linear regression models, each being an expert for a particular region of the input space. The models are trained on the data collected during 1992-1998 and tested by the data of 1999-2000. The predictive accuracy of the models is found to be adequate for the potential use in the operational decision making.

  2. Prototype-based models in machine learning

    NARCIS (Netherlands)

    Biehl, Michael; Hammer, Barbara; Villmann, Thomas

    2016-01-01

    An overview is given of prototype-based models in machine learning. In this framework, observations, i.e., data, are stored in terms of typical representatives. Together with a suitable measure of similarity, the systems can be employed in the context of unsupervised and supervised analysis of poten

  3. Prototype-based models in machine learning

    NARCIS (Netherlands)

    Biehl, Michael; Hammer, Barbara; Villmann, Thomas

    2016-01-01

    An overview is given of prototype-based models in machine learning. In this framework, observations, i.e., data, are stored in terms of typical representatives. Together with a suitable measure of similarity, the systems can be employed in the context of unsupervised and supervised analysis of

  4. Machine Learning

    Energy Technology Data Exchange (ETDEWEB)

    Chikkagoudar, Satish; Chatterjee, Samrat; Thomas, Dennis G.; Carroll, Thomas E.; Muller, George

    2017-04-21

    The absence of a robust and unified theory of cyber dynamics presents challenges and opportunities for using machine learning based data-driven approaches to further the understanding of the behavior of such complex systems. Analysts can also use machine learning approaches to gain operational insights. In order to be operationally beneficial, cybersecurity machine learning based models need to have the ability to: (1) represent a real-world system, (2) infer system properties, and (3) learn and adapt based on expert knowledge and observations. Probabilistic models and Probabilistic graphical models provide these necessary properties and are further explored in this chapter. Bayesian Networks and Hidden Markov Models are introduced as an example of a widely used data driven classification/modeling strategy.

  5. A Machine-Learning-Driven Sky Model.

    Science.gov (United States)

    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.

  6. Probabilistic models and machine learning in structural bioinformatics

    DEFF Research Database (Denmark)

    Hamelryck, Thomas

    2009-01-01

    . Recently, probabilistic models and machine learning methods based on Bayesian principles are providing efficient and rigorous solutions to challenging problems that were long regarded as intractable. In this review, I will highlight some important recent developments in the prediction, analysis...

  7. Generative Modeling for Machine Learning on the D-Wave

    Energy Technology Data Exchange (ETDEWEB)

    Thulasidasan, Sunil [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Information Sciences Group

    2016-11-15

    These are slides on Generative Modeling for Machine Learning on the D-Wave. The following topics are detailed: generative models; Boltzmann machines: a generative model; restricted Boltzmann machines; learning parameters: RBM training; practical ways to train RBM; D-Wave as a Boltzmann sampler; mapping RBM onto the D-Wave; Chimera restricted RBM; mapping binary RBM to Ising model; experiments; data; D-Wave effective temperature, parameters noise, etc.; experiments: contrastive divergence (CD) 1 step; after 50 steps of CD; after 100 steps of CD; D-Wave (experiments 1, 2, 3); D-Wave observations.

  8. Predicting Market Impact Costs Using Nonparametric Machine Learning Models.

    Directory of Open Access Journals (Sweden)

    Saerom Park

    Full Text Available Market impact cost is the most significant portion of implicit transaction costs that can reduce the overall transaction cost, although it cannot be measured directly. In this paper, we employed the state-of-the-art nonparametric machine learning models: neural networks, Bayesian neural network, Gaussian process, and support vector regression, to predict market impact cost accurately and to provide the predictive model that is versatile in the number of variables. We collected a large amount of real single transaction data of US stock market from Bloomberg Terminal and generated three independent input variables. As a result, most nonparametric machine learning models outperformed a-state-of-the-art benchmark parametric model such as I-star model in four error measures. Although these models encounter certain difficulties in separating the permanent and temporary cost directly, nonparametric machine learning models can be good alternatives in reducing transaction costs by considerably improving in prediction performance.

  9. Predicting Market Impact Costs Using Nonparametric Machine Learning Models.

    Science.gov (United States)

    Park, Saerom; Lee, Jaewook; Son, Youngdoo

    2016-01-01

    Market impact cost is the most significant portion of implicit transaction costs that can reduce the overall transaction cost, although it cannot be measured directly. In this paper, we employed the state-of-the-art nonparametric machine learning models: neural networks, Bayesian neural network, Gaussian process, and support vector regression, to predict market impact cost accurately and to provide the predictive model that is versatile in the number of variables. We collected a large amount of real single transaction data of US stock market from Bloomberg Terminal and generated three independent input variables. As a result, most nonparametric machine learning models outperformed a-state-of-the-art benchmark parametric model such as I-star model in four error measures. Although these models encounter certain difficulties in separating the permanent and temporary cost directly, nonparametric machine learning models can be good alternatives in reducing transaction costs by considerably improving in prediction performance.

  10. Machine Learning Approaches for Modeling Spammer Behavior

    CERN Document Server

    Islam, Md Saiful; Islam, Md Rafiqul

    2010-01-01

    Spam is commonly known as unsolicited or unwanted email messages in the Internet causing potential threat to Internet Security. Users spend a valuable amount of time deleting spam emails. More importantly, ever increasing spam emails occupy server storage space and consume network bandwidth. Keyword-based spam email filtering strategies will eventually be less successful to model spammer behavior as the spammer constantly changes their tricks to circumvent these filters. The evasive tactics that the spammer uses are patterns and these patterns can be modeled to combat spam. This paper investigates the possibilities of modeling spammer behavioral patterns by well-known classification algorithms such as Na\\"ive Bayesian classifier (Na\\"ive Bayes), Decision Tree Induction (DTI) and Support Vector Machines (SVMs). Preliminary experimental results demonstrate a promising detection rate of around 92%, which is considerably an enhancement of performance compared to similar spammer behavior modeling research.

  11. Machine Learning

    CERN Document Server

    CERN. Geneva

    2017-01-01

    Machine learning, which builds on ideas in computer science, statistics, and optimization, focuses on developing algorithms to identify patterns and regularities in data, and using these learned patterns to make predictions on new observations. Boosted by its industrial and commercial applications, the field of machine learning is quickly evolving and expanding. Recent advances have seen great success in the realms of computer vision, natural language processing, and broadly in data science. Many of these techniques have already been applied in particle physics, for instance for particle identification, detector monitoring, and the optimization of computer resources. Modern machine learning approaches, such as deep learning, are only just beginning to be applied to the analysis of High Energy Physics data to approach more and more complex problems. These classes will review the framework behind machine learning and discuss recent developments in the field.

  12. Screening for Prediabetes Using Machine Learning Models

    Directory of Open Access Journals (Sweden)

    Soo Beom Choi

    2014-01-01

    Full Text Available The global prevalence of diabetes is rapidly increasing. Studies support the necessity of screening and interventions for prediabetes, which could result in serious complications and diabetes. This study aimed at developing an intelligence-based screening model for prediabetes. Data from the Korean National Health and Nutrition Examination Survey (KNHANES were used, excluding subjects with diabetes. The KNHANES 2010 data (n=4685 were used for training and internal validation, while data from KNHANES 2011 (n=4566 were used for external validation. We developed two models to screen for prediabetes using an artificial neural network (ANN and support vector machine (SVM and performed a systematic evaluation of the models using internal and external validation. We compared the performance of our models with that of a screening score model based on logistic regression analysis for prediabetes that had been developed previously. The SVM model showed the areas under the curve of 0.731 in the external datasets, which is higher than those of the ANN model (0.729 and the screening score model (0.712, respectively. The prescreening methods developed in this study performed better than the screening score model that had been developed previously and may be more effective method for prediabetes screening.

  13. Committee of machine learning predictors of hydrological models uncertainty

    Science.gov (United States)

    Kayastha, Nagendra; Solomatine, Dimitri

    2014-05-01

    In prediction of uncertainty based on machine learning methods, the results of various sampling schemes namely, Monte Carlo sampling (MCS), generalized likelihood uncertainty estimation (GLUE), Markov chain Monte Carlo (MCMC), shuffled complex evolution metropolis algorithm (SCEMUA), differential evolution adaptive metropolis (DREAM), particle swarm optimization (PSO) and adaptive cluster covering (ACCO)[1] used to build a predictive models. These models predict the uncertainty (quantiles of pdf) of a deterministic output from hydrological model [2]. Inputs to these models are the specially identified representative variables (past events precipitation and flows). The trained machine learning models are then employed to predict the model output uncertainty which is specific for the new input data. For each sampling scheme three machine learning methods namely, artificial neural networks, model tree, locally weighted regression are applied to predict output uncertainties. The problem here is that different sampling algorithms result in different data sets used to train different machine learning models which leads to several models (21 predictive uncertainty models). There is no clear evidence which model is the best since there is no basis for comparison. A solution could be to form a committee of all models and to sue a dynamic averaging scheme to generate the final output [3]. This approach is applied to estimate uncertainty of streamflows simulation from a conceptual hydrological model HBV in the Nzoia catchment in Kenya. [1] N. Kayastha, D. L. Shrestha and D. P. Solomatine. Experiments with several methods of parameter uncertainty estimation in hydrological modeling. Proc. 9th Intern. Conf. on Hydroinformatics, Tianjin, China, September 2010. [2] D. L. Shrestha, N. Kayastha, and D. P. Solomatine, and R. Price. Encapsulation of parameteric uncertainty statistics by various predictive machine learning models: MLUE method, Journal of Hydroinformatic, in press

  14. Runtime Optimizations for Tree-Based Machine Learning Models

    NARCIS (Netherlands)

    N. Asadi; J.J.P. Lin (Jimmy); A.P. de Vries (Arjen)

    2014-01-01

    htmlabstractTree-based models have proven to be an effective solution for web ranking as well as other machine learning problems in diverse domains. This paper focuses on optimizing the runtime performance of applying such models to make predictions, specifically using gradient-boosted regression

  15. Assessing Implicit Knowledge in BIM Models with Machine Learning

    DEFF Research Database (Denmark)

    Krijnen, Thomas; Tamke, Martin

    2015-01-01

    architects and engineers are able to deduce non-explicitly explicitly stated information, which is often the core of the transported architectural information. This paper investigates how machine learning approaches allow a computational system to deduce implicit knowledge from a set of BIM models.......The promise, which comes along with Building Information Models, is that they are information rich, machine readable and represent the insights of multiple building disciplines within single or linked models. However, this knowledge has to be stated explicitly in order to be understood. Trained...

  16. Assessing Implicit Knowledge in BIM Models with Machine Learning

    DEFF Research Database (Denmark)

    Krijnen, Thomas; Tamke, Martin

    2015-01-01

    architects and engineers are able to deduce non-explicitly explicitly stated information, which is often the core of the transported architectural information. This paper investigates how machine learning approaches allow a computational system to deduce implicit knowledge from a set of BIM models.......The promise, which comes along with Building Information Models, is that they are information rich, machine readable and represent the insights of multiple building disciplines within single or linked models. However, this knowledge has to be stated explicitly in order to be understood. Trained...

  17. Machine learning models in breast cancer survival prediction.

    Science.gov (United States)

    Montazeri, Mitra; Montazeri, Mohadeseh; Montazeri, Mahdieh; Beigzadeh, Amin

    2016-01-01

    Breast cancer is one of the most common cancers with a high mortality rate among women. With the early diagnosis of breast cancer survival will increase from 56% to more than 86%. Therefore, an accurate and reliable system is necessary for the early diagnosis of this cancer. The proposed model is the combination of rules and different machine learning techniques. Machine learning models can help physicians to reduce the number of false decisions. They try to exploit patterns and relationships among a large number of cases and predict the outcome of a disease using historical cases stored in datasets. The objective of this study is to propose a rule-based classification method with machine learning techniques for the prediction of different types of Breast cancer survival. We use a dataset with eight attributes that include the records of 900 patients in which 876 patients (97.3%) and 24 (2.7%) patients were females and males respectively. Naive Bayes (NB), Trees Random Forest (TRF), 1-Nearest Neighbor (1NN), AdaBoost (AD), Support Vector Machine (SVM), RBF Network (RBFN), and Multilayer Perceptron (MLP) machine learning techniques with 10-cross fold technique were used with the proposed model for the prediction of breast cancer survival. The performance of machine learning techniques were evaluated with accuracy, precision, sensitivity, specificity, and area under ROC curve. Out of 900 patients, 803 patients and 97 patients were alive and dead, respectively. In this study, Trees Random Forest (TRF) technique showed better results in comparison to other techniques (NB, 1NN, AD, SVM and RBFN, MLP). The accuracy, sensitivity and the area under ROC curve of TRF are 96%, 96%, 93%, respectively. However, 1NN machine learning technique provided poor performance (accuracy 91%, sensitivity 91% and area under ROC curve 78%). This study demonstrates that Trees Random Forest model (TRF) which is a rule-based classification model was the best model with the highest level of

  18. Machine Learning and Cosmological Simulations I: Semi-Analytical Models

    OpenAIRE

    Kamdar, Harshil M.; Turk, Matthew J.; Brunner, Robert J.

    2015-01-01

    We present a new exploratory framework to model galaxy formation and evolution in a hierarchical universe by using machine learning (ML). Our motivations are two-fold: (1) presenting a new, promising technique to study galaxy formation, and (2) quantitatively analyzing the extent of the influence of dark matter halo properties on galaxies in the backdrop of semi-analytical models (SAMs). We use the influential Millennium Simulation and the corresponding Munich SAM to train and test various so...

  19. Stochastic Local Interaction (SLI) model: Bridging machine learning and geostatistics

    Science.gov (United States)

    Hristopulos, Dionissios T.

    2015-12-01

    Machine learning and geostatistics are powerful mathematical frameworks for modeling spatial data. Both approaches, however, suffer from poor scaling of the required computational resources for large data applications. We present the Stochastic Local Interaction (SLI) model, which employs a local representation to improve computational efficiency. SLI combines geostatistics and machine learning with ideas from statistical physics and computational geometry. It is based on a joint probability density function defined by an energy functional which involves local interactions implemented by means of kernel functions with adaptive local kernel bandwidths. SLI is expressed in terms of an explicit, typically sparse, precision (inverse covariance) matrix. This representation leads to a semi-analytical expression for interpolation (prediction), which is valid in any number of dimensions and avoids the computationally costly covariance matrix inversion.

  20. Mastering machine learning with scikit-learn

    CERN Document Server

    Hackeling, Gavin

    2014-01-01

    If you are a software developer who wants to learn how machine learning models work and how to apply them effectively, this book is for you. Familiarity with machine learning fundamentals and Python will be helpful, but is not essential.

  1. Support Vector Machine active learning for 3D model retrieval

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper, we present a novel Support Vector Machine active learning algorithm for effective 3D model retrieval using the concept of relevance feedback. The proposed method learns from the most informative objects which are marked by the user, and then creates a boundary separating the relevant models from irrelevant ones. What it needs is only a small number of 3D models labelled by the user. It can grasp the user's semantic knowledge rapidly and accurately. Experimental results showed that the proposed algorithm significantly improves the retrieval effectiveness. Compared with four state-of-the-art query refinement schemes for 3D model retrieval, it provides superior retrieval performance after no more than two rounds of relevance feedback.

  2. Use of machine learning techniques for modeling of snow depth

    Directory of Open Access Journals (Sweden)

    G. V. Ayzel

    2017-01-01

    Full Text Available Snow exerts significant regulating effect on the land hydrological cycle since it controls intensity of heat and water exchange between the soil-vegetative cover and the atmosphere. Estimating of a spring flood runoff or a rain-flood on mountainous rivers requires understanding of the snow cover dynamics on a watershed. In our work, solving a problem of the snow cover depth modeling is based on both available databases of hydro-meteorological observations and easily accessible scientific software that allows complete reproduction of investigation results and further development of this theme by scientific community. In this research we used the daily observational data on the snow cover and surface meteorological parameters, obtained at three stations situated in different geographical regions: Col de Porte (France, Sodankyla (Finland, and Snoquamie Pass (USA.Statistical modeling of the snow cover depth is based on a complex of freely distributed the present-day machine learning models: Decision Trees, Adaptive Boosting, Gradient Boosting. It is demonstrated that use of combination of modern machine learning methods with available meteorological data provides the good accuracy of the snow cover modeling. The best results of snow cover depth modeling for every investigated site were obtained by the ensemble method of gradient boosting above decision trees – this model reproduces well both, the periods of snow cover accumulation and its melting. The purposeful character of learning process for models of the gradient boosting type, their ensemble character, and use of combined redundancy of a test sample in learning procedure makes this type of models a good and sustainable research tool. The results obtained can be used for estimating the snow cover characteristics for river basins where hydro-meteorological information is absent or insufficient.

  3. Machine learning, computer vision, and probabilistic models in jet physics

    CERN Document Server

    CERN. Geneva; NACHMAN, Ben

    2015-01-01

    In this talk we present recent developments in the application of machine learning, computer vision, and probabilistic models to the analysis and interpretation of LHC events. First, we will introduce the concept of jet-images and computer vision techniques for jet tagging. Jet images enabled the connection between jet substructure and tagging with the fields of computer vision and image processing for the first time, improving the performance to identify highly boosted W bosons with respect to state-of-the-art methods, and providing a new way to visualize the discriminant features of different classes of jets, adding a new capability to understand the physics within jets and to design more powerful jet tagging methods. Second, we will present Fuzzy jets: a new paradigm for jet clustering using machine learning methods. Fuzzy jets view jet clustering as an unsupervised learning task and incorporate a probabilistic assignment of particles to jets to learn new features of the jet structure. In particular, we wi...

  4. Machine learning and docking models for Mycobacterium tuberculosis topoisomerase I.

    Science.gov (United States)

    Ekins, Sean; Godbole, Adwait Anand; Kéri, György; Orfi, Lászlo; Pato, János; Bhat, Rajeshwari Subray; Verma, Rinkee; Bradley, Erin K; Nagaraja, Valakunja

    2017-03-01

    There is a shortage of compounds that are directed towards new targets apart from those targeted by the FDA approved drugs used against Mycobacterium tuberculosis. Topoisomerase I (Mttopo I) is an essential mycobacterial enzyme and a promising target in this regard. However, it suffers from a shortage of known inhibitors. We have previously used computational approaches such as homology modeling and docking to propose 38 FDA approved drugs for testing and identified several active molecules. To follow on from this, we now describe the in vitro testing of a library of 639 compounds. These data were used to create machine learning models for Mttopo I which were further validated. The combined Mttopo I Bayesian model had a 5 fold cross validation receiver operator characteristic of 0.74 and sensitivity, specificity and concordance values above 0.76 and was used to select commercially available compounds for testing in vitro. The recently described crystal structure of Mttopo I was also compared with the previously described homology model and then used to dock the Mttopo I actives norclomipramine and imipramine. In summary, we describe our efforts to identify small molecule inhibitors of Mttopo I using a combination of machine learning modeling and docking studies in conjunction with screening of the selected molecules for enzyme inhibition. We demonstrate the experimental inhibition of Mttopo I by small molecule inhibitors and show that the enzyme can be readily targeted for lead molecule development. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Calibrating Building Energy Models Using Supercomputer Trained Machine Learning Agents

    Energy Technology Data Exchange (ETDEWEB)

    Sanyal, Jibonananda [ORNL; New, Joshua Ryan [ORNL; Edwards, Richard [ORNL; Parker, Lynne Edwards [ORNL

    2014-01-01

    Building Energy Modeling (BEM) is an approach to model the energy usage in buildings for design and retrofit purposes. EnergyPlus is the flagship Department of Energy software that performs BEM for different types of buildings. The input to EnergyPlus can often extend in the order of a few thousand parameters which have to be calibrated manually by an expert for realistic energy modeling. This makes it challenging and expensive thereby making building energy modeling unfeasible for smaller projects. In this paper, we describe the Autotune research which employs machine learning algorithms to generate agents for the different kinds of standard reference buildings in the U.S. building stock. The parametric space and the variety of building locations and types make this a challenging computational problem necessitating the use of supercomputers. Millions of EnergyPlus simulations are run on supercomputers which are subsequently used to train machine learning algorithms to generate agents. These agents, once created, can then run in a fraction of the time thereby allowing cost-effective calibration of building models.

  6. Using machine learning to model dose-response relationships.

    Science.gov (United States)

    Linden, Ariel; Yarnold, Paul R; Nallamothu, Brahmajee K

    2016-12-01

    Establishing the relationship between various doses of an exposure and a response variable is integral to many studies in health care. Linear parametric models, widely used for estimating dose-response relationships, have several limitations. This paper employs the optimal discriminant analysis (ODA) machine-learning algorithm to determine the degree to which exposure dose can be distinguished based on the distribution of the response variable. By framing the dose-response relationship as a classification problem, machine learning can provide the same functionality as conventional models, but can additionally make individual-level predictions, which may be helpful in practical applications like establishing responsiveness to prescribed drug regimens. Using data from a study measuring the responses of blood flow in the forearm to the intra-arterial administration of isoproterenol (separately for 9 black and 13 white men, and pooled), we compare the results estimated from a generalized estimating equations (GEE) model with those estimated using ODA. Generalized estimating equations and ODA both identified many statistically significant dose-response relationships, separately by race and for pooled data. Post hoc comparisons between doses indicated ODA (based on exact P values) was consistently more conservative than GEE (based on estimated P values). Compared with ODA, GEE produced twice as many instances of paradoxical confounding (findings from analysis of pooled data that are inconsistent with findings from analyses stratified by race). Given its unique advantages and greater analytic flexibility, maximum-accuracy machine-learning methods like ODA should be considered as the primary analytic approach in dose-response applications. © 2016 John Wiley & Sons, Ltd.

  7. Modelling tick abundance using machine learning techniques and satellite imagery

    DEFF Research Database (Denmark)

    Kjær, Lene Jung; Korslund, L.; Kjelland, V.

    satellite images to run Boosted Regression Tree machine learning algorithms to predict overall distribution (presence/absence of ticks) and relative tick abundance of nymphs and larvae in southern Scandinavia. For nymphs, the predicted abundance had a positive correlation with observed abundance...... the predicted distribution of larvae was mostly even throughout Denmark, it was primarily around the coastlines in Norway and Sweden. Abundance was fairly low overall except in some fragmented patches corresponding to forested habitats in the region. Machine learning techniques allow us to predict for larger...... the collected ticks for pathogens and using the same machine learning techniques to develop prevalence maps of the ScandTick region....

  8. Machine Learning and Cosmological Simulations I: Semi-Analytical Models

    CERN Document Server

    Kamdar, Harshil M; Brunner, Robert J

    2016-01-01

    We present a new exploratory framework to model galaxy formation and evolution in a hierarchical universe by using machine learning (ML). Our motivations are two-fold: (1) presenting a new, promising technique to study galaxy formation, and (2) quantitatively analyzing the extent of the influence of dark matter halo properties on galaxies in the backdrop of semi-analytical models (SAMs). We use the influential Millennium Simulation and the corresponding Munich SAM to train and test various sophisticated machine learning algorithms (k-Nearest Neighbors, decision trees, random forests and extremely randomized trees). By using only essential dark matter halo physical properties for haloes of $M>10^{12} M_{\\odot}$ and a partial merger tree, our model predicts the hot gas mass, cold gas mass, bulge mass, total stellar mass, black hole mass and cooling radius at z = 0 for each central galaxy in a dark matter halo for the Millennium run. Our results provide a unique and powerful phenomenological framework to explore...

  9. Systematic improvement of molecular representations for machine learning models

    CERN Document Server

    Huang, Bing

    2016-01-01

    The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. We introduce a hierarchy of representations based on uniqueness and target similarity criteria. To systematically control target similarity, we rely on interatomic many body expansions including Bonding, Angular, and higher order terms (BA). Addition of higher order contributions systematically increases similarity to the potential energy function as well as predictive accuracy of the resulting ML models. Numerical evidence is presented for the performance of BAML models trained on molecular properties pre-calculated at electron-correlated and density functional theory level of theory for thousands of small organic molecules. Properties studied include enthalpies and free energies of atomization, heatcapacity, zero-point vibrational energies, dipole-moment, polarizability, HOMO/LUMO energies and gap, ionization potential, electron affinity, and electronic excitations. After tr...

  10. Derivative Free Optimization of Complex Systems with the Use of Statistical Machine Learning Models

    Science.gov (United States)

    2015-09-12

    AFRL-AFOSR-VA-TR-2015-0278 DERIVATIVE FREE OPTIMIZATION OF COMPLEX SYSTEMS WITH THE USE OF STATISTICAL MACHINE LEARNING MODELS Katya Scheinberg...COMPLEX SYSTEMS WITH THE USE OF STATISTICAL MACHINE LEARNING MODELS 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-11-1-0239 5c.  PROGRAM ELEMENT...developed, which has been the focus of our research. 15. SUBJECT TERMS optimization, Derivative-Free Optimization, Statistical Machine Learning 16. SECURITY

  11. Crystal Structure Representations for Machine Learning Models of Formation Energies

    CERN Document Server

    Faber, Felix; von Lilienfeld, O Anatole; Armiento, Rickard

    2015-01-01

    We introduce and evaluate a set of feature vector representations of crystal structures for machine learning (ML) models of formation energies of solids. ML models of atomization energies of organic molecules have been successful using a Coulomb matrix representation of the molecule. We consider three ways to generalize such representations to periodic systems: (i) a matrix where each element is related to the Ewald sum of the electrostatic interaction between two different atoms in the unit cell repeated over the lattice; (ii) an extended Coulomb-like matrix that takes into account a number of neighboring unit cells; and (iii) an Ansatz that mimics the periodicity and the basic features of the elements in the Ewald sum matrix by using a sine function of the crystal coordinates of the atoms. The representations are compared for a Laplacian kernel with Manhattan norm, trained to reproduce formation energies using a data set of 3938 crystal structures obtained from the Materials Project. For training sets consi...

  12. Modeling the Swift BAT Trigger Algorithm with Machine Learning

    Science.gov (United States)

    Graff, Philip B.; Lien, Amy Y.; Baker, John G.; Sakamoto, Takanori

    2015-01-01

    To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien et al. (2014) is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of approximately greater than 97% (approximately less than 3% error), which is a significant improvement on a cut in GRB flux which has an accuracy of 89:6% (10:4% error). These models are then used to measure the detection efficiency of Swift as a function of redshift z, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of eta(sub 0) approximately 0.48(+0.41/-0.23) Gpc(exp -3) yr(exp -1) with power-law indices of eta(sub 1) approximately 1.7(+0.6/-0.5) and eta(sub 2) approximately -5.9(+5.7/-0.1) for GRBs above and below a break point of z(sub 1) approximately 6.8(+2.8/-3.2). This methodology is able to improve upon earlier studies by more accurately modeling Swift detection and using this for fully Bayesian model fitting. The code used in this is analysis is publicly available online.

  13. Modeling the Swift Bat Trigger Algorithm with Machine Learning

    Science.gov (United States)

    Graff, Philip B.; Lien, Amy Y.; Baker, John G.; Sakamoto, Takanori

    2016-01-01

    To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift / BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien et al. is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of greater than or equal to 97 percent (less than or equal to 3 percent error), which is a significant improvement on a cut in GRB flux, which has an accuracy of 89.6 percent (10.4 percent error). These models are then used to measure the detection efficiency of Swift as a function of redshift z, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of n (sub 0) approaching 0.48 (sup plus 0.41) (sub minus 0.23) per cubic gigaparsecs per year with power-law indices of n (sub 1) approaching 1.7 (sup plus 0.6) (sub minus 0.5) and n (sub 2) approaching minus 5.9 (sup plus 5.7) (sub minus 0.1) for GRBs above and below a break point of z (redshift) (sub 1) approaching 6.8 (sup plus 2.8) (sub minus 3.2). This methodology is able to improve upon earlier studies by more accurately modeling Swift detection and using this for fully Bayesian model fitting.

  14. Machine Learning Markets

    CERN Document Server

    Storkey, Amos

    2011-01-01

    Prediction markets show considerable promise for developing flexible mechanisms for machine learning. Here, machine learning markets for multivariate systems are defined, and a utility-based framework is established for their analysis. This differs from the usual approach of defining static betting functions. It is shown that such markets can implement model combination methods used in machine learning, such as product of expert and mixture of expert approaches as equilibrium pricing models, by varying agent utility functions. They can also implement models composed of local potentials, and message passing methods. Prediction markets also allow for more flexible combinations, by combining multiple different utility functions. Conversely, the market mechanisms implement inference in the relevant probabilistic models. This means that market mechanism can be utilized for implementing parallelized model building and inference for probabilistic modelling.

  15. AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment

    Directory of Open Access Journals (Sweden)

    Stålring Jonna C

    2011-07-01

    Full Text Available Abstract Background Machine learning has a vast range of applications. In particular, advanced machine learning methods are routinely and increasingly used in quantitative structure activity relationship (QSAR modeling. QSAR data sets often encompass tens of thousands of compounds and the size of proprietary, as well as public data sets, is rapidly growing. Hence, there is a demand for computationally efficient machine learning algorithms, easily available to researchers without extensive machine learning knowledge. In granting the scientific principles of transparency and reproducibility, Open Source solutions are increasingly acknowledged by regulatory authorities. Thus, an Open Source state-of-the-art high performance machine learning platform, interfacing multiple, customized machine learning algorithms for both graphical programming and scripting, to be used for large scale development of QSAR models of regulatory quality, is of great value to the QSAR community. Results This paper describes the implementation of the Open Source machine learning package AZOrange. AZOrange is specially developed to support batch generation of QSAR models in providing the full work flow of QSAR modeling, from descriptor calculation to automated model building, validation and selection. The automated work flow relies upon the customization of the machine learning algorithms and a generalized, automated model hyper-parameter selection process. Several high performance machine learning algorithms are interfaced for efficient data set specific selection of the statistical method, promoting model accuracy. Using the high performance machine learning algorithms of AZOrange does not require programming knowledge as flexible applications can be created, not only at a scripting level, but also in a graphical programming environment. Conclusions AZOrange is a step towards meeting the needs for an Open Source high performance machine learning platform, supporting the

  16. Massively collaborative machine learning

    NARCIS (Netherlands)

    Rijn, van J.N.

    2016-01-01

    Many scientists are focussed on building models. We nearly process all information we perceive to a model. There are many techniques that enable computers to build models as well. The field of research that develops such techniques is called Machine Learning. Many research is devoted to develop comp

  17. Machine learning and cosmological simulations - I. Semi-analytical models

    Science.gov (United States)

    Kamdar, Harshil M.; Turk, Matthew J.; Brunner, Robert J.

    2016-01-01

    We present a new exploratory framework to model galaxy formation and evolution in a hierarchical Universe by using machine learning (ML). Our motivations are two-fold: (1) presenting a new, promising technique to study galaxy formation, and (2) quantitatively analysing the extent of the influence of dark matter halo properties on galaxies in the backdrop of semi-analytical models (SAMs). We use the influential Millennium Simulation and the corresponding Munich SAM to train and test various sophisticated ML algorithms (k-Nearest Neighbors, decision trees, random forests, and extremely randomized trees). By using only essential dark matter halo physical properties for haloes of M > 1012 M⊙ and a partial merger tree, our model predicts the hot gas mass, cold gas mass, bulge mass, total stellar mass, black hole mass and cooling radius at z = 0 for each central galaxy in a dark matter halo for the Millennium run. Our results provide a unique and powerful phenomenological framework to explore the galaxy-halo connection that is built upon SAMs and demonstrably place ML as a promising and a computationally efficient tool to study small-scale structure formation.

  18. Simple models for estimating dementia severity using machine learning.

    Science.gov (United States)

    Shankle, W R; Mania, S; Dick, M B; Pazzani, M J

    1998-01-01

    Estimating dementia severity using the Clinical Dementia Rating (CDR) Scale is a two-stage process that currently is costly and impractical in community settings, and at best has an interrater reliability of 80%. Because staging of dementia severity is economically and clinically important, we used Machine Learning (ML) algorithms with an Electronic Medical Record (EMR) to identify simpler models for estimating total CDR scores. Compared to a gold standard, which required 34 attributes to derive total CDR scores, ML algorithms identified models with as few as seven attributes. The classification accuracy varied with the algorithm used with naïve Bayes giving the highest. (76%) The mildly demented severity class was the only one with significantly reduced accuracy (59%). If one groups the severity classes into normal, very mild-to-mildly demented, and moderate-to-severely demented, then classification accuracies are clinically acceptable (85%). These simple models can be used in community settings where it is currently not possible to estimate dementia severity due to time and cost constraints.

  19. A Sustainable Model for Integrating Current Topics in Machine Learning Research into the Undergraduate Curriculum

    Science.gov (United States)

    Georgiopoulos, M.; DeMara, R. F.; Gonzalez, A. J.; Wu, A. S.; Mollaghasemi, M.; Gelenbe, E.; Kysilka, M.; Secretan, J.; Sharma, C. A.; Alnsour, A. J.

    2009-01-01

    This paper presents an integrated research and teaching model that has resulted from an NSF-funded effort to introduce results of current Machine Learning research into the engineering and computer science curriculum at the University of Central Florida (UCF). While in-depth exposure to current topics in Machine Learning has traditionally occurred…

  20. A Sustainable Model for Integrating Current Topics in Machine Learning Research into the Undergraduate Curriculum

    Science.gov (United States)

    Georgiopoulos, M.; DeMara, R. F.; Gonzalez, A. J.; Wu, A. S.; Mollaghasemi, M.; Gelenbe, E.; Kysilka, M.; Secretan, J.; Sharma, C. A.; Alnsour, A. J.

    2009-01-01

    This paper presents an integrated research and teaching model that has resulted from an NSF-funded effort to introduce results of current Machine Learning research into the engineering and computer science curriculum at the University of Central Florida (UCF). While in-depth exposure to current topics in Machine Learning has traditionally occurred…

  1. Machine Learning Based Statistical Prediction Model for Improving Performance of Live Virtual Machine Migration

    Directory of Open Access Journals (Sweden)

    Minal Patel

    2016-01-01

    Full Text Available Service can be delivered anywhere and anytime in cloud computing using virtualization. The main issue to handle virtualized resources is to balance ongoing workloads. The migration of virtual machines has two major techniques: (i reducing dirty pages using CPU scheduling and (ii compressing memory pages. The available techniques for live migration are not able to predict dirty pages in advance. In the proposed framework, time series based prediction techniques are developed using historical analysis of past data. The time series is generated with transferring of memory pages iteratively. Here, two different regression based models of time series are proposed. The first model is developed using statistical probability based regression model and it is based on ARIMA (autoregressive integrated moving average model. The second one is developed using statistical learning based regression model and it uses SVR (support vector regression model. These models are tested on real data set of Xen to compute downtime, total number of pages transferred, and total migration time. The ARIMA model is able to predict dirty pages with 91.74% accuracy and the SVR model is able to predict dirty pages with 94.61% accuracy that is higher than ARIMA.

  2. Using financial risk measures for analyzing generalization performance of machine learning models.

    Science.gov (United States)

    Takeda, Akiko; Kanamori, Takafumi

    2014-09-01

    We propose a unified machine learning model (UMLM) for two-class classification, regression and outlier (or novelty) detection via a robust optimization approach. The model embraces various machine learning models such as support vector machine-based and minimax probability machine-based classification and regression models. The unified framework makes it possible to compare and contrast existing learning models and to explain their differences and similarities. In this paper, after relating existing learning models to UMLM, we show some theoretical properties for UMLM. Concretely, we show an interpretation of UMLM as minimizing a well-known financial risk measure (worst-case value-at risk (VaR) or conditional VaR), derive generalization bounds for UMLM using such a risk measure, and prove that solving problems of UMLM leads to estimators with the minimized generalization bounds. Those theoretical properties are applicable to related existing learning models.

  3. Guidelines for Developing and Reporting Machine Learning Predictive Models in Biomedical Research: A Multidisciplinary View.

    Science.gov (United States)

    Luo, Wei; Phung, Dinh; Tran, Truyen; Gupta, Sunil; Rana, Santu; Karmakar, Chandan; Shilton, Alistair; Yearwood, John; Dimitrova, Nevenka; Ho, Tu Bao; Venkatesh, Svetha; Berk, Michael

    2016-12-16

    As more and more researchers are turning to big data for new opportunities of biomedical discoveries, machine learning models, as the backbone of big data analysis, are mentioned more often in biomedical journals. However, owing to the inherent complexity of machine learning methods, they are prone to misuse. Because of the flexibility in specifying machine learning models, the results are often insufficiently reported in research articles, hindering reliable assessment of model validity and consistent interpretation of model outputs. To attain a set of guidelines on the use of machine learning predictive models within clinical settings to make sure the models are correctly applied and sufficiently reported so that true discoveries can be distinguished from random coincidence. A multidisciplinary panel of machine learning experts, clinicians, and traditional statisticians were interviewed, using an iterative process in accordance with the Delphi method. The process produced a set of guidelines that consists of (1) a list of reporting items to be included in a research article and (2) a set of practical sequential steps for developing predictive models. A set of guidelines was generated to enable correct application of machine learning models and consistent reporting of model specifications and results in biomedical research. We believe that such guidelines will accelerate the adoption of big data analysis, particularly with machine learning methods, in the biomedical research community.

  4. Developing a PLC-friendly state machine model: lessons learned

    Science.gov (United States)

    Pessemier, Wim; Deconinck, Geert; Raskin, Gert; Saey, Philippe; Van Winckel, Hans

    2014-07-01

    've learned during the development process of such a "PLC-friendly" state machine model.

  5. Quasilinear Extreme Learning Machine Model Based Internal Model Control for Nonlinear Process

    Directory of Open Access Journals (Sweden)

    Dazi Li

    2015-01-01

    Full Text Available A new strategy for internal model control (IMC is proposed using a regression algorithm of quasilinear model with extreme learning machine (QL-ELM. Aimed at the chemical process with nonlinearity, the learning process of the internal model and inverse model is derived. The proposed QL-ELM is constructed as a linear ARX model with a complicated nonlinear coefficient. It shows some good approximation ability and fast convergence. The complicated coefficients are separated into two parts. The linear part is determined by recursive least square (RLS, while the nonlinear part is identified through extreme learning machine. The parameters of linear part and the output weights of ELM are estimated iteratively. The proposed internal model control is applied to CSTR process. The effectiveness and accuracy of the proposed method are extensively verified through numerical results.

  6. Human Machine Learning Symbiosis

    Science.gov (United States)

    Walsh, Kenneth R.; Hoque, Md Tamjidul; Williams, Kim H.

    2017-01-01

    Human Machine Learning Symbiosis is a cooperative system where both the human learner and the machine learner learn from each other to create an effective and efficient learning environment adapted to the needs of the human learner. Such a system can be used in online learning modules so that the modules adapt to each learner's learning state both…

  7. Soft computing in machine learning

    CERN Document Server

    Park, Jooyoung; Inoue, Atsushi

    2014-01-01

    As users or consumers are now demanding smarter devices, intelligent systems are revolutionizing by utilizing machine learning. Machine learning as part of intelligent systems is already one of the most critical components in everyday tools ranging from search engines and credit card fraud detection to stock market analysis. You can train machines to perform some things, so that they can automatically detect, diagnose, and solve a variety of problems. The intelligent systems have made rapid progress in developing the state of the art in machine learning based on smart and deep perception. Using machine learning, the intelligent systems make widely applications in automated speech recognition, natural language processing, medical diagnosis, bioinformatics, and robot locomotion. This book aims at introducing how to treat a substantial amount of data, to teach machines and to improve decision making models. And this book specializes in the developments of advanced intelligent systems through machine learning. It...

  8. Quantum machine learning.

    Science.gov (United States)

    Biamonte, Jacob; Wittek, Peter; Pancotti, Nicola; Rebentrost, Patrick; Wiebe, Nathan; Lloyd, Seth

    2017-09-13

    Fuelled by increasing computer power and algorithmic advances, machine learning techniques have become powerful tools for finding patterns in data. Quantum systems produce atypical patterns that classical systems are thought not to produce efficiently, so it is reasonable to postulate that quantum computers may outperform classical computers on machine learning tasks. The field of quantum machine learning explores how to devise and implement quantum software that could enable machine learning that is faster than that of classical computers. Recent work has produced quantum algorithms that could act as the building blocks of machine learning programs, but the hardware and software challenges are still considerable.

  9. Machine Learning at Scale

    OpenAIRE

    Izrailev, Sergei; Stanley, Jeremy M.

    2014-01-01

    It takes skill to build a meaningful predictive model even with the abundance of implementations of modern machine learning algorithms and readily available computing resources. Building a model becomes challenging if hundreds of terabytes of data need to be processed to produce the training data set. In a digital advertising technology setting, we are faced with the need to build thousands of such models that predict user behavior and power advertising campaigns in a 24/7 chaotic real-time p...

  10. Machine learning with R

    CERN Document Server

    Lantz, Brett

    2013-01-01

    Written as a tutorial to explore and understand the power of R for machine learning. This practical guide that covers all of the need to know topics in a very systematic way. For each machine learning approach, each step in the process is detailed, from preparing the data for analysis to evaluating the results. These steps will build the knowledge you need to apply them to your own data science tasks.Intended for those who want to learn how to use R's machine learning capabilities and gain insight from your data. Perhaps you already know a bit about machine learning, but have never used R; or

  11. Combining Psychological Models with Machine Learning to Better Predict People’s Decisions

    Science.gov (United States)

    2012-03-09

    in some applications (Kaelbling, Littman, & Cassandra, 1998; Neumann & Morgenstern, 1944; Russell & Norvig , 2003). However, research into people’s...scientists often model peoples’ decisions through machine learning techniques (Russell & Norvig , 2003). These models are based on statistical methods such as...A., & Kraus, S. (2011). Using aspiration adaptation theory to improve learning. In Aamas (p. 423-430). Russell, S. J., & Norvig , P. (2003

  12. Microsoft Azure machine learning

    CERN Document Server

    Mund, Sumit

    2015-01-01

    The book is intended for those who want to learn how to use Azure Machine Learning. Perhaps you already know a bit about Machine Learning, but have never used ML Studio in Azure; or perhaps you are an absolute newbie. In either case, this book will get you up-and-running quickly.

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

    Science.gov (United States)

    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

  14. Solar Flare Prediction Model with Three Machine-Learning Algorithms Using Ultraviolet Brightening and Vector Magnetogram

    CERN Document Server

    Nishizuka, N; Kubo, Y; Den, M; Watari, S; Ishii, M

    2016-01-01

    We developed a flare prediction model using machine learning, which is optimized to predict the maximum class of flares occurring in the following 24 h. Machine learning is used to devise algorithms that can learn from and make decisions on a huge amount of data. We used solar observation data during the period 2010-2015, such as vector magnetogram, ultraviolet (UV) emission, and soft X-ray emission taken by the Solar Dynamics Observatory and the Geostationary Operational Environmental Satellite. We detected active regions from the full-disk magnetogram, from which 60 features were extracted with their time differentials, including magnetic neutral lines, the current helicity, the UV brightening, and the flare history. After standardizing the feature database, we fully shuffled and randomly separated it into two for training and testing. To investigate which algorithm is best for flare prediction, we compared three machine learning algorithms: the support vector machine (SVM), k-nearest neighbors (k-NN), and ...

  15. Pattern recognition & machine learning

    CERN Document Server

    Anzai, Y

    1992-01-01

    This is the first text to provide a unified and self-contained introduction to visual pattern recognition and machine learning. It is useful as a general introduction to artifical intelligence and knowledge engineering, and no previous knowledge of pattern recognition or machine learning is necessary. Basic for various pattern recognition and machine learning methods. Translated from Japanese, the book also features chapter exercises, keywords, and summaries.

  16. Introduction to machine learning.

    Science.gov (United States)

    Baştanlar, Yalin; Ozuysal, Mustafa

    2014-01-01

    The machine learning field, which can be briefly defined as enabling computers make successful predictions using past experiences, has exhibited an impressive development recently with the help of the rapid increase in the storage capacity and processing power of computers. Together with many other disciplines, machine learning methods have been widely employed in bioinformatics. The difficulties and cost of biological analyses have led to the development of sophisticated machine learning approaches for this application area. In this chapter, we first review the fundamental concepts of machine learning such as feature assessment, unsupervised versus supervised learning and types of classification. Then, we point out the main issues of designing machine learning experiments and their performance evaluation. Finally, we introduce some supervised learning methods.

  17. Automating Construction of Machine Learning Models With Clinical Big Data: Proposal Rationale and Methods

    Science.gov (United States)

    Stone, Bryan L; Johnson, Michael D; Tarczy-Hornoch, Peter; Wilcox, Adam B; Mooney, Sean D; Sheng, Xiaoming; Haug, Peter J; Nkoy, Flory L

    2017-01-01

    Background To improve health outcomes and cut health care costs, we often need to conduct prediction/classification using large clinical datasets (aka, clinical big data), for example, to identify high-risk patients for preventive interventions. Machine learning has been proposed as a key technology for doing this. Machine learning has won most data science competitions and could support many clinical activities, yet only 15% of hospitals use it for even limited purposes. Despite familiarity with data, health care researchers often lack machine learning expertise to directly use clinical big data, creating a hurdle in realizing value from their data. Health care researchers can work with data scientists with deep machine learning knowledge, but it takes time and effort for both parties to communicate effectively. Facing a shortage in the United States of data scientists and hiring competition from companies with deep pockets, health care systems have difficulty recruiting data scientists. Building and generalizing a machine learning model often requires hundreds to thousands of manual iterations by data scientists to select the following: (1) hyper-parameter values and complex algorithms that greatly affect model accuracy and (2) operators and periods for temporally aggregating clinical attributes (eg, whether a patient’s weight kept rising in the past year). This process becomes infeasible with limited budgets. Objective This study’s goal is to enable health care researchers to directly use clinical big data, make machine learning feasible with limited budgets and data scientist resources, and realize value from data. Methods This study will allow us to achieve the following: (1) finish developing the new software, Automated Machine Learning (Auto-ML), to automate model selection for machine learning with clinical big data and validate Auto-ML on seven benchmark modeling problems of clinical importance; (2) apply Auto-ML and novel methodology to two new

  18. Automating Construction of Machine Learning Models With Clinical Big Data: Proposal Rationale and Methods.

    Science.gov (United States)

    Luo, Gang; Stone, Bryan L; Johnson, Michael D; Tarczy-Hornoch, Peter; Wilcox, Adam B; Mooney, Sean D; Sheng, Xiaoming; Haug, Peter J; Nkoy, Flory L

    2017-08-29

    To improve health outcomes and cut health care costs, we often need to conduct prediction/classification using large clinical datasets (aka, clinical big data), for example, to identify high-risk patients for preventive interventions. Machine learning has been proposed as a key technology for doing this. Machine learning has won most data science competitions and could support many clinical activities, yet only 15% of hospitals use it for even limited purposes. Despite familiarity with data, health care researchers often lack machine learning expertise to directly use clinical big data, creating a hurdle in realizing value from their data. Health care researchers can work with data scientists with deep machine learning knowledge, but it takes time and effort for both parties to communicate effectively. Facing a shortage in the United States of data scientists and hiring competition from companies with deep pockets, health care systems have difficulty recruiting data scientists. Building and generalizing a machine learning model often requires hundreds to thousands of manual iterations by data scientists to select the following: (1) hyper-parameter values and complex algorithms that greatly affect model accuracy and (2) operators and periods for temporally aggregating clinical attributes (eg, whether a patient's weight kept rising in the past year). This process becomes infeasible with limited budgets. This study's goal is to enable health care researchers to directly use clinical big data, make machine learning feasible with limited budgets and data scientist resources, and realize value from data. This study will allow us to achieve the following: (1) finish developing the new software, Automated Machine Learning (Auto-ML), to automate model selection for machine learning with clinical big data and validate Auto-ML on seven benchmark modeling problems of clinical importance; (2) apply Auto-ML and novel methodology to two new modeling problems crucial for care

  19. Machine learning with R

    CERN Document Server

    Lantz, Brett

    2015-01-01

    Perhaps you already know a bit about machine learning but have never used R, or perhaps you know a little R but are new to machine learning. In either case, this book will get you up and running quickly. It would be helpful to have a bit of familiarity with basic programming concepts, but no prior experience is required.

  20. Measuring and Modelling Delays in Robot Manipulators for Temporally Precise Control using Machine Learning

    DEFF Research Database (Denmark)

    Andersen, Thomas Timm; Amor, Heni Ben; Andersen, Nils Axel

    2015-01-01

    and separate. In this paper, we present a data-driven methodology for separating and modelling inherent delays during robot control. We show how both actuation and response delays can be modelled using modern machine learning methods. The resulting models can be used to predict the delays as well...

  1. An Introduction to Topic Modeling as an Unsupervised Machine Learning Way to Organize Text Information

    Science.gov (United States)

    Snyder, Robin M.

    2015-01-01

    The field of topic modeling has become increasingly important over the past few years. Topic modeling is an unsupervised machine learning way to organize text (or image or DNA, etc.) information such that related pieces of text can be identified. This paper/session will present/discuss the current state of topic modeling, why it is important, and…

  2. A novel method to estimate model uncertainty using machine learning techniques

    NARCIS (Netherlands)

    Solomatine, D.P.; Lal Shrestha, D.

    2009-01-01

    A novel method is presented for model uncertainty estimation using machine learning techniques and its application in rainfall runoff modeling. In this method, first, the probability distribution of the model error is estimated separately for different hydrological situations and second, the

  3. Machine Learning for Hackers

    CERN Document Server

    Conway, Drew

    2012-01-01

    If you're an experienced programmer interested in crunching data, this book will get you started with machine learning-a toolkit of algorithms that enables computers to train themselves to automate useful tasks. Authors Drew Conway and John Myles White help you understand machine learning and statistics tools through a series of hands-on case studies, instead of a traditional math-heavy presentation. Each chapter focuses on a specific problem in machine learning, such as classification, prediction, optimization, and recommendation. Using the R programming language, you'll learn how to analyz

  4. A Novel Machine Learning Strategy Based on Two-Dimensional Numerical Models in Financial Engineering

    Directory of Open Access Journals (Sweden)

    Qingzhen Xu

    2013-01-01

    Full Text Available Machine learning is the most commonly used technique to address larger and more complex tasks by analyzing the most relevant information already present in databases. In order to better predict the future trend of the index, this paper proposes a two-dimensional numerical model for machine learning to simulate major U.S. stock market index and uses a nonlinear implicit finite-difference method to find numerical solutions of the two-dimensional simulation model. The proposed machine learning method uses partial differential equations to predict the stock market and can be extensively used to accelerate large-scale data processing on the history database. The experimental results show that the proposed algorithm reduces the prediction error and improves forecasting precision.

  5. Machine Learning and Radiology

    Science.gov (United States)

    Wang, Shijun; Summers, Ronald M.

    2012-01-01

    In this paper, we give a short introduction to machine learning and survey its applications in radiology. We focused on six categories of applications in radiology: medical image segmentation, registration, computer aided detection and diagnosis, brain function or activity analysis and neurological disease diagnosis from fMR images, content-based image retrieval systems for CT or MRI images, and text analysis of radiology reports using natural language processing (NLP) and natural language understanding (NLU). This survey shows that machine learning plays a key role in many radiology applications. Machine learning identifies complex patterns automatically and helps radiologists make intelligent decisions on radiology data such as conventional radiographs, CT, MRI, and PET images and radiology reports. In many applications, the performance of machine learning-based automatic detection and diagnosis systems has shown to be comparable to that of a well-trained and experienced radiologist. Technology development in machine learning and radiology will benefit from each other in the long run. Key contributions and common characteristics of machine learning techniques in radiology are discussed. We also discuss the problem of translating machine learning applications to the radiology clinical setting, including advantages and potential barriers. PMID:22465077

  6. Learning thermodynamics with Boltzmann machines

    Science.gov (United States)

    Torlai, Giacomo; Melko, Roger G.

    2016-10-01

    A Boltzmann machine is a stochastic neural network that has been extensively used in the layers of deep architectures for modern machine learning applications. In this paper, we develop a Boltzmann machine that is capable of modeling thermodynamic observables for physical systems in thermal equilibrium. Through unsupervised learning, we train the Boltzmann machine on data sets constructed with spin configurations importance sampled from the partition function of an Ising Hamiltonian at different temperatures using Monte Carlo (MC) methods. The trained Boltzmann machine is then used to generate spin states, for which we compare thermodynamic observables to those computed by direct MC sampling. We demonstrate that the Boltzmann machine can faithfully reproduce the observables of the physical system. Further, we observe that the number of neurons required to obtain accurate results increases as the system is brought close to criticality.

  7. A Data Flow Model to Solve the Data Distribution Changing Problem in Machine Learning

    Directory of Open Access Journals (Sweden)

    Shang Bo-Wen

    2016-01-01

    Full Text Available Continuous prediction is widely used in broad communities spreading from social to business and the machine learning method is an important method in this problem.When we use the machine learning method to predict a problem. We use the data in the training set to fit the model and estimate the distribution of data in the test set.But when we use machine learning to do the continuous prediction we get new data as time goes by and use the data to predict the future data, there may be a problem. As the size of the data set increasing over time, the distribution changes and there will be many garbage data in the training set.We should remove the garbage data as it reduces the accuracy of the prediction. The main contribution of this article is using the new data to detect the timeliness of historical data and remove the garbage data.We build a data flow model to describe how the data flow among the test set, training set, validation set and the garbage set and improve the accuracy of prediction. As the change of the data set, the best machine learning model will change.We design a hybrid voting algorithm to fit the data set better that uses seven machine learning models predicting the same problem and uses the validation set putting different weights on the learning models to give better model more weights. Experimental results show that, when the distribution of the data set changes over time, our time flow model can remove most of the garbage data and get a better result than the traditional method that adds all the data to the data set; our hybrid voting algorithm has a better prediction result than the average accuracy of other predict models

  8. Technical note: Evaluation of three machine learning models for surface ocean CO2 mapping

    Science.gov (United States)

    Zeng, Jiye; Matsunaga, Tsuneo; Saigusa, Nobuko; Shirai, Tomoko; Nakaoka, Shin-ichiro; Tan, Zheng-Hong

    2017-04-01

    Reconstructing surface ocean CO2 from scarce measurements plays an important role in estimating oceanic CO2 uptake. There are varying degrees of differences among the 14 models included in the Surface Ocean CO2 Mapping (SOCOM) inter-comparison initiative, in which five models used neural networks. This investigation evaluates two neural networks used in SOCOM, self-organizing maps and feedforward neural networks, and introduces a machine learning model called a support vector machine for ocean CO2 mapping. The technique note provides a practical guide to selecting the models.

  9. Emerging Paradigms in Machine Learning

    CERN Document Server

    Jain, Lakhmi; Howlett, Robert

    2013-01-01

    This  book presents fundamental topics and algorithms that form the core of machine learning (ML) research, as well as emerging paradigms in intelligent system design. The  multidisciplinary nature of machine learning makes it a very fascinating and popular area for research.  The book is aiming at students, practitioners and researchers and captures the diversity and richness of the field of machine learning and intelligent systems.  Several chapters are devoted to computational learning models such as granular computing, rough sets and fuzzy sets An account of applications of well-known learning methods in biometrics, computational stylistics, multi-agent systems, spam classification including an extremely well-written survey on Bayesian networks shed light on the strengths and weaknesses of the methods. Practical studies yielding insight into challenging problems such as learning from incomplete and imbalanced data, pattern recognition of stochastic episodic events and on-line mining of non-stationary ...

  10. mlpy: Machine Learning Python

    CERN Document Server

    Albanese, Davide; Merler, Stefano; Riccadonna, Samantha; Jurman, Giuseppe; Furlanello, Cesare

    2012-01-01

    mlpy is a Python Open Source Machine Learning library built on top of NumPy/SciPy and the GNU Scientific Libraries. mlpy provides a wide range of state-of-the-art machine learning methods for supervised and unsupervised problems and it is aimed at finding a reasonable compromise among modularity, maintainability, reproducibility, usability and efficiency. mlpy is multiplatform, it works with Python 2 and 3 and it is distributed under GPL3 at the website http://mlpy.fbk.eu.

  11. mlpy: Machine Learning Python

    OpenAIRE

    Albanese, Davide; Visintainer, Roberto; Merler, Stefano; Riccadonna, Samantha; Jurman, Giuseppe; Furlanello, Cesare

    2012-01-01

    mlpy is a Python Open Source Machine Learning library built on top of NumPy/SciPy and the GNU Scientific Libraries. mlpy provides a wide range of state-of-the-art machine learning methods for supervised and unsupervised problems and it is aimed at finding a reasonable compromise among modularity, maintainability, reproducibility, usability and efficiency. mlpy is multiplatform, it works with Python 2 and 3 and it is distributed under GPL3 at the website http://mlpy.fbk.eu.

  12. A Review of Current Machine Learning Methods Used for Cancer Recurrence Modeling and Prediction

    Energy Technology Data Exchange (ETDEWEB)

    Hemphill, Geralyn M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-09-27

    Cancer has been characterized as a heterogeneous disease consisting of many different subtypes. The early diagnosis and prognosis of a cancer type has become a necessity in cancer research. A major challenge in cancer management is the classification of patients into appropriate risk groups for better treatment and follow-up. Such risk assessment is critically important in order to optimize the patient’s health and the use of medical resources, as well as to avoid cancer recurrence. This paper focuses on the application of machine learning methods for predicting the likelihood of a recurrence of cancer. It is not meant to be an extensive review of the literature on the subject of machine learning techniques for cancer recurrence modeling. Other recent papers have performed such a review, and I will rely heavily on the results and outcomes from these papers. The electronic databases that were used for this review include PubMed, Google, and Google Scholar. Query terms used include “cancer recurrence modeling”, “cancer recurrence and machine learning”, “cancer recurrence modeling and machine learning”, and “machine learning for cancer recurrence and prediction”. The most recent and most applicable papers to the topic of this review have been included in the references. It also includes a list of modeling and classification methods to predict cancer recurrence.

  13. Predicting the Plant Root-Associated Ecological Niche of 21 Pseudomonas Species Using Machine Learning and Metabolic Modeling

    OpenAIRE

    Chien, Jennifer; Larsen, Peter

    2017-01-01

    Plants rarely occur in isolated systems. Bacteria can inhabit either the endosphere, the region inside the plant root, or the rhizosphere, the soil region just outside the plant root. Our goal is to understand if using genomic data and media dependent metabolic model information is better for training machine learning of predicting bacterial ecological niche than media independent models or pure genome based species trees. We considered three machine learning techniques: support vector machin...

  14. A Multianalyzer Machine Learning Model for Marine Heterogeneous Data Schema Mapping

    Directory of Open Access Journals (Sweden)

    Wang Yan

    2014-01-01

    Full Text Available The main challenges that marine heterogeneous data integration faces are the problem of accurate schema mapping between heterogeneous data sources. In order to improve the schema mapping efficiency and get more accurate learning results, this paper proposes a heterogeneous data schema mapping method basing on multianalyzer machine learning model. The multianalyzer analysis the learning results comprehensively, and a fuzzy comprehensive evaluation system is introduced for output results’ evaluation and multi factor quantitative judging. Finally, the data mapping comparison experiment on the East China Sea observing data confirms the effectiveness of the model and shows multianalyzer’s obvious improvement of mapping error rate.

  15. Machine learning for medical images analysis.

    Science.gov (United States)

    Criminisi, A

    2016-10-01

    This article discusses the application of machine learning for the analysis of medical images. Specifically: (i) We show how a special type of learning models can be thought of as automatically optimized, hierarchically-structured, rule-based algorithms, and (ii) We discuss how the issue of collecting large labelled datasets applies to both conventional algorithms as well as machine learning techniques. The size of the training database is a function of model complexity rather than a characteristic of machine learning methods.

  16. Short-Term Speed Prediction Using Remote Microwave Sensor Data: Machine Learning versus Statistical Model

    Directory of Open Access Journals (Sweden)

    Han Jiang

    2016-01-01

    Full Text Available Recently, a number of short-term speed prediction approaches have been developed, in which most algorithms are based on machine learning and statistical theory. This paper examined the multistep ahead prediction performance of eight different models using the 2-minute travel speed data collected from three Remote Traffic Microwave Sensors located on a southbound segment of 4th ring road in Beijing City. Specifically, we consider five machine learning methods: Back Propagation Neural Network (BPNN, nonlinear autoregressive model with exogenous inputs neural network (NARXNN, support vector machine with radial basis function as kernel function (SVM-RBF, Support Vector Machine with Linear Function (SVM-LIN, and Multilinear Regression (MLR as candidate. Three statistical models are also selected: Autoregressive Integrated Moving Average (ARIMA, Vector Autoregression (VAR, and Space-Time (ST model. From the prediction results, we find the following meaningful results: (1 the prediction accuracy of speed deteriorates as the prediction time steps increase for all models; (2 the BPNN, NARXNN, and SVM-RBF can clearly outperform two traditional statistical models: ARIMA and VAR; (3 the prediction performance of ANN is superior to that of SVM and MLR; (4 as time step increases, the ST model can consistently provide the lowest MAE comparing with ARIMA and VAR.

  17. Remotely sensed data assimilation technique to develop machine learning models for use in water management

    Science.gov (United States)

    Zaman, Bushra

    Increasing population and water conflicts are making water management one of the most important issues of the present world. It has become absolutely necessary to find ways to manage water more efficiently. Technological advancement has introduced various techniques for data acquisition and analysis, and these tools can be used to address some of the critical issues that challenge water resource management. This research used learning machine techniques and information acquired through remote sensing, to solve problems related to soil moisture estimation and crop identification on large spatial scales. In this dissertation, solutions were proposed in three problem areas that can be important in the decision making process related to water management in irrigated systems. A data assimilation technique was used to build a learning machine model that generated soil moisture estimates commensurate with the scale of the data. The research was taken further by developing a multivariate machine learning algorithm to predict root zone soil moisture both in space and time. Further, a model was developed for supervised classification of multi-spectral reflectance data using a multi-class machine learning algorithm. The procedure was designed for classifying crops but the model is data dependent and can be used with other datasets and hence can be applied to other landcover classification problems. The dissertation compared the performance of relevance vector and the support vector machines in estimating soil moisture. A multivariate relevance vector machine algorithm was tested in the spatio-temporal prediction of soil moisture, and the multi-class relevance vector machine model was used for classifying different crop types. It was concluded that the classification scheme may uncover important data patterns contributing greatly to knowledge bases, and to scientific and medical research. The results for the soil moisture models would give a rough idea to farmers

  18. Machine Learning with Distances

    Science.gov (United States)

    2015-02-16

    and demonstrated their usefulness in experiments. 1 Introduction The goal of machine learning is to find useful knowledge behind data. Many machine...212, 172]. However, direct divergence approximators still suffer from the curse of dimensionality. A possible cure for this problem is to combine them...obtain the global optimal solution or even a good local solution without any prior knowledge . For this reason, we decided to introduce the unit-norm

  19. Machine learning for evolution strategies

    CERN Document Server

    Kramer, Oliver

    2016-01-01

    This book introduces numerous algorithmic hybridizations between both worlds that show how machine learning can improve and support evolution strategies. The set of methods comprises covariance matrix estimation, meta-modeling of fitness and constraint functions, dimensionality reduction for search and visualization of high-dimensional optimization processes, and clustering-based niching. After giving an introduction to evolution strategies and machine learning, the book builds the bridge between both worlds with an algorithmic and experimental perspective. Experiments mostly employ a (1+1)-ES and are implemented in Python using the machine learning library scikit-learn. The examples are conducted on typical benchmark problems illustrating algorithmic concepts and their experimental behavior. The book closes with a discussion of related lines of research.

  20. Machine Learning in Medicine.

    Science.gov (United States)

    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.

  1. Clojure for machine learning

    CERN Document Server

    Wali, Akhil

    2014-01-01

    A book that brings out the strengths of Clojure programming that have to facilitate machine learning. Each topic is described in substantial detail, and examples and libraries in Clojure are also demonstrated.This book is intended for Clojure developers who want to explore the area of machine learning. Basic understanding of the Clojure programming language is required, but thorough acquaintance with the standard Clojure library or any libraries are not required. Familiarity with theoretical concepts and notation of mathematics and statistics would be an added advantage.

  2. Genetic optimization of training sets for improved machine learning models of molecular properties

    CERN Document Server

    Browning, Nicholas J; von Lilienfeld, O Anatole; Röthlisberger, Ursula

    2016-01-01

    The training of molecular models of quantum mechanical properties based on statistical machine learning requires large datasets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of training examples is often difficult or impossible to achieve as prior knowledge may be sparse or unavailable. Ordinarily representative selection of training molecules from such datasets is achieved through random sampling. We use genetic algorithms for the optimization of training set composition consisting of tens of thousands of small organic molecules. The resulting machine learning models are considerably more accurate with respect to small randomly selected training sets: mean absolute errors for out-of-sample predictions are reduced to ~25% for enthalpies, free energies, and zero-point vibrational energy, to ~50% for heat-capacity, electron-spread, and polarizability, and by more than ~20% for electronic properties such as frontier orbital eigenvalues or dipole-moments. We...

  3. Game-powered machine learning.

    Science.gov (United States)

    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.

  4. Hemodynamic modelling of BOLD fMRI - A machine learning approach

    DEFF Research Database (Denmark)

    Jacobsen, Danjal Jakup

    2007-01-01

    This Ph.D. thesis concerns the application of machine learning methods to hemodynamic models for BOLD fMRI data. Several such models have been proposed by different researchers, and they have in common a basis in physiological knowledge of the hemodynamic processes involved in the generation...... of the BOLD signal. The BOLD signal is modelled as a non-linear function of underlying, hidden (non-measurable) hemodynamic state variables. The focus of this thesis work has been to develop methods for learning the parameters of such models, both in their traditional formulation, and in a state space...... formulation. In the latter, noise enters at the level of the hidden states, as well as in the BOLD measurements themselves. A framework has been developed to allow approximate posterior distributions of model parameters to be learned from real fMRI data. This is accomplished with Markov chain Monte Carlo...

  5. Issues of Application of Machine Learning Models for Virtual and Real-Life Buildings

    Directory of Open Access Journals (Sweden)

    Young Min Kim

    2016-06-01

    Full Text Available The current Building Energy Performance Simulation (BEPS tools are based on first principles. For the correct use of BEPS tools, simulationists should have an in-depth understanding of building physics, numerical methods, control logics of building systems, etc. However, it takes significant time and effort to develop a first principles-based simulation model for existing buildings—mainly due to the laborious process of data gathering, uncertain inputs, model calibration, etc. Rather than resorting to an expert’s effort, a data-driven approach (so-called “inverse” approach has received growing attention for the simulation of existing buildings. This paper reports a cross-comparison of three popular machine learning models (Artificial Neural Network (ANN, Support Vector Machine (SVM, and Gaussian Process (GP for predicting a chiller’s energy consumption in a virtual and a real-life building. The predictions based on the three models are sufficiently accurate compared to the virtual and real measurements. This paper addresses the following issues for the successful development of machine learning models: reproducibility, selection of inputs, training period, outlying data obtained from the building energy management system (BEMS, and validation of the models. From the result of this comparative study, it was found that SVM has a disadvantage in computation time compared to ANN and GP. GP is the most sensitive to a training period among the three models.

  6. Fault Tolerance Automotive Air-Ratio Control Using Extreme Learning Machine Model Predictive Controller

    OpenAIRE

    Pak Kin Wong; Hang Cheong Wong; Chi Man Vong; Tong Meng Iong; Ka In Wong; Xianghui Gao

    2015-01-01

    Effective air-ratio control is desirable to maintain the best engine performance. However, traditional air-ratio control assumes the lambda sensor located at the tail pipe works properly and relies strongly on the air-ratio feedback signal measured by the lambda sensor. When the sensor is warming up during cold start or under failure, the traditional air-ratio control no longer works. To address this issue, this paper utilizes an advanced modelling technique, kernel extreme learning machine (...

  7. Modelling In-Store Consumer Behaviour Using Machine Learning and Digital Signage Audience Measurement Data

    OpenAIRE

    Ravnik, Robert; Solina, Franc; Žabkar, Vesna

    2014-01-01

    Audience adaptive digital signage is a new emerging tech- nology, where public broadcasting displays adapt their content to the audience demographic and temporal features. The collected audience measurement data can be used as a unique basis for statistical analysis of viewing patterns, interactive display applications and also for further research and observer modelling. Here, we use machine learning methods on real-world digital signage viewership data to predict consumer behav- iour in a r...

  8. Machine Learning for Security

    CERN Document Server

    CERN. Geneva

    2015-01-01

    Applied statistics, aka ‘Machine Learning’, offers a wealth of techniques for answering security questions. It’s a much hyped topic in the big data world, with many companies now providing machine learning as a service. This talk will demystify these techniques, explain the math, and demonstrate their application to security problems. The presentation will include how-to’s on classifying malware, looking into encrypted tunnels, and finding botnets in DNS data. About the speaker Josiah is a security researcher with HP TippingPoint DVLabs Research Group. He has over 15 years of professional software development experience. Josiah used to do AI, with work focused on graph theory, search, and deductive inference on large knowledge bases. As rules only get you so far, he moved from AI to using machine learning techniques identifying failure modes in email traffic. There followed digressions into clustered data storage and later integrated control systems. Current ...

  9. Machine learning methods in chemoinformatics

    Science.gov (United States)

    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

  10. Interpretation of machine-learning-based disruption models for plasma control

    Science.gov (United States)

    Parsons, Matthew S.

    2017-08-01

    While machine learning techniques have been applied within the context of fusion for predicting plasma disruptions in tokamaks, they are typically interpreted with a simple ‘yes/no’ prediction or perhaps a probability forecast. These techniques take input signals, which could be real-time signals from machine diagnostics, to make a prediction of whether a transient event will occur. A major criticism of these methods is that, due to the nature of machine learning, there is no clear correlation between the input signals and the output prediction result. Here is proposed a simple method that could be applied to any existing prediction model to determine how sensitive the state of a plasma is at any given time with respect to the input signals. This is accomplished by computing the gradient of the decision function, which effectively identifies the quickest path away from a disruption as a function of the input signals and therefore could be used in a plasma control setting to avoid them. A numerical example is provided for illustration based on a support vector machine model, and the application to real data is left as an open opportunity.

  11. Machine learning in image steganalysis

    CERN Document Server

    Schaathun, Hans Georg

    2012-01-01

    "The only book to look at steganalysis from the perspective of machine learning theory, and to apply the common technique of machine learning to the particular field of steganalysis; ideal for people working in both disciplines"--

  12. New Applications of Learning Machines

    DEFF Research Database (Denmark)

    Larsen, Jan

    * Machine learning framework for sound search * Genre classification * Music separation * MIMO channel estimation and symbol detection......* Machine learning framework for sound search * Genre classification * Music separation * MIMO channel estimation and symbol detection...

  13. New Applications of Learning Machines

    DEFF Research Database (Denmark)

    Larsen, Jan

    * Machine learning framework for sound search * Genre classification * Music separation * MIMO channel estimation and symbol detection......* Machine learning framework for sound search * Genre classification * Music separation * MIMO channel estimation and symbol detection...

  14. Named Entity Recognition Based on A Machine Learning Model

    Directory of Open Access Journals (Sweden)

    Jing Wang

    2012-09-01

    Full Text Available For the recruitment information in Web pages, a novel unified model for named entity recognition is proposed in this study. The models provide a simple statistical framework to incorporate a wide variety of linguistic knowledge and statistical models in a unified way. In our approach, firstly, Multi-Rules are built for a better representation of the named entity, in order to emphasize the specific semantics and term space in the named entity. Then an optimal algorithm of the hierarchically structured DSTCRFs is performed, in order to pick out the structure attributes of the named entity from the recruitment knowledge and optimize the efficiency of the training. The experimental results showed that the accuracy rate has been significantly improved and the complexity of sample training has been decreased.

  15. Statistical and Machine-Learning Data Mining Techniques for Better Predictive Modeling and Analysis of Big Data

    CERN Document Server

    Ratner, Bruce

    2011-01-01

    The second edition of a bestseller, Statistical and Machine-Learning Data Mining: Techniques for Better Predictive Modeling and Analysis of Big Data is still the only book, to date, to distinguish between statistical data mining and machine-learning data mining. The first edition, titled Statistical Modeling and Analysis for Database Marketing: Effective Techniques for Mining Big Data, contained 17 chapters of innovative and practical statistical data mining techniques. In this second edition, renamed to reflect the increased coverage of machine-learning data mining techniques, the author has

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

    Directory of Open Access Journals (Sweden)

    Ickwon Choi

    2015-04-01

    Full Text Available 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.

  17. Solving the Bose-Hubbard Model with Machine Learning

    Science.gov (United States)

    Saito, Hiroki

    2017-09-01

    Motivated by the recent successful application of artificial neural networks to quantum many-body problems [G. Carleo and M. Troyer, doi.org/10.1126/science.aag2302" xlink:type="simple">Science 355, 602 (2017)], a method to calculate the ground state of the Bose-Hubbard model using a feedforward neural network is proposed. The results are in good agreement with those obtained by exact diagonalization and the Gutzwiller approximation. The method of neural-network quantum states is promising for solving quantum many-body problems of ultracold atoms in optical lattices.

  18. Attention: A Machine Learning Perspective

    DEFF Research Database (Denmark)

    Hansen, Lars Kai

    2012-01-01

    We review a statistical machine learning model of top-down task driven attention based on the notion of ‘gist’. In this framework we consider the task to be represented as a classification problem with two sets of features — a gist of coarse grained global features and a larger set of low...

  19. Application of Machine-Learning Models to Predict Tacrolimus Stable Dose in Renal Transplant Recipients

    Science.gov (United States)

    Tang, Jie; Liu, Rong; Zhang, Yue-Li; Liu, Mou-Ze; Hu, Yong-Fang; Shao, Ming-Jie; Zhu, Li-Jun; Xin, Hua-Wen; Feng, Gui-Wen; Shang, Wen-Jun; Meng, Xiang-Guang; Zhang, Li-Rong; Ming, Ying-Zi; Zhang, Wei

    2017-01-01

    Tacrolimus has a narrow therapeutic window and considerable variability in clinical use. Our goal was to compare the performance of multiple linear regression (MLR) and eight machine learning techniques in pharmacogenetic algorithm-based prediction of tacrolimus stable dose (TSD) in a large Chinese cohort. A total of 1,045 renal transplant patients were recruited, 80% of which were randomly selected as the “derivation cohort” to develop dose-prediction algorithm, while the remaining 20% constituted the “validation cohort” to test the final selected algorithm. MLR, artificial neural network (ANN), regression tree (RT), multivariate adaptive regression splines (MARS), boosted regression tree (BRT), support vector regression (SVR), random forest regression (RFR), lasso regression (LAR) and Bayesian additive regression trees (BART) were applied and their performances were compared in this work. Among all the machine learning models, RT performed best in both derivation [0.71 (0.67–0.76)] and validation cohorts [0.73 (0.63–0.82)]. In addition, the ideal rate of RT was 4% higher than that of MLR. To our knowledge, this is the first study to use machine learning models to predict TSD, which will further facilitate personalized medicine in tacrolimus administration in the future. PMID:28176850

  20. Application of Machine-Learning Models to Predict Tacrolimus Stable Dose in Renal Transplant Recipients

    Science.gov (United States)

    Tang, Jie; Liu, Rong; Zhang, Yue-Li; Liu, Mou-Ze; Hu, Yong-Fang; Shao, Ming-Jie; Zhu, Li-Jun; Xin, Hua-Wen; Feng, Gui-Wen; Shang, Wen-Jun; Meng, Xiang-Guang; Zhang, Li-Rong; Ming, Ying-Zi; Zhang, Wei

    2017-02-01

    Tacrolimus has a narrow therapeutic window and considerable variability in clinical use. Our goal was to compare the performance of multiple linear regression (MLR) and eight machine learning techniques in pharmacogenetic algorithm-based prediction of tacrolimus stable dose (TSD) in a large Chinese cohort. A total of 1,045 renal transplant patients were recruited, 80% of which were randomly selected as the “derivation cohort” to develop dose-prediction algorithm, while the remaining 20% constituted the “validation cohort” to test the final selected algorithm. MLR, artificial neural network (ANN), regression tree (RT), multivariate adaptive regression splines (MARS), boosted regression tree (BRT), support vector regression (SVR), random forest regression (RFR), lasso regression (LAR) and Bayesian additive regression trees (BART) were applied and their performances were compared in this work. Among all the machine learning models, RT performed best in both derivation [0.71 (0.67–0.76)] and validation cohorts [0.73 (0.63–0.82)]. In addition, the ideal rate of RT was 4% higher than that of MLR. To our knowledge, this is the first study to use machine learning models to predict TSD, which will further facilitate personalized medicine in tacrolimus administration in the future.

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

    Science.gov (United States)

    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.

  2. Integrating Machine Learning into a Crowdsourced Model for Earthquake-Induced Damage Assessment

    Science.gov (United States)

    Rebbapragada, Umaa; Oommen, Thomas

    2011-01-01

    On January 12th, 2010, a catastrophic 7.0M earthquake devastated the country of Haiti. In the aftermath of an earthquake, it is important to rapidly assess damaged areas in order to mobilize the appropriate resources. The Haiti damage assessment effort introduced a promising model that uses crowdsourcing to map damaged areas in freely available remotely-sensed data. This paper proposes the application of machine learning methods to improve this model. Specifically, we apply work on learning from multiple, imperfect experts to the assessment of volunteer reliability, and propose the use of image segmentation to automate the detection of damaged areas. We wrap both tasks in an active learning framework in order to shift volunteer effort from mapping a full catalog of images to the generation of high-quality training data. We hypothesize that the integration of machine learning into this model improves its reliability, maintains the speed of damage assessment, and allows the model to scale to higher data volumes.

  3. Using Machine Learning to Create Turbine Performance Models (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Clifton, A.

    2013-04-01

    Wind turbine power output is known to be a strong function of wind speed, but is also affected by turbulence and shear. In this work, new aerostructural simulations of a generic 1.5 MW turbine are used to explore atmospheric influences on power output. Most significant is the hub height wind speed, followed by hub height turbulence intensity and then wind speed shear across the rotor disk. These simulation data are used to train regression trees that predict the turbine response for any combination of wind speed, turbulence intensity, and wind shear that might be expected at a turbine site. For a randomly selected atmospheric condition, the accuracy of the regression tree power predictions is three times higher than that of the traditional power curve methodology. The regression tree method can also be applied to turbine test data and used to predict turbine performance at a new site. No new data is required in comparison to the data that are usually collected for a wind resource assessment. Implementing the method requires turbine manufacturers to create a turbine regression tree model from test site data. Such an approach could significantly reduce bias in power predictions that arise because of different turbulence and shear at the new site, compared to the test site.

  4. Machine Learning in Parliament Elections

    Directory of Open Access Journals (Sweden)

    Ahmad Esfandiari

    2012-09-01

    Full Text Available Parliament is considered as one of the most important pillars of the country governance. The parliamentary elections and prediction it, had been considered by scholars of from various field like political science long ago. Some important features are used to model the results of consultative parliament elections. These features are as follows: reputation and popularity, political orientation, tradesmen's support, clergymen's support, support from political wings and the type of supportive wing. Two parameters of reputation and popularity and the support of clergymen and religious scholars that have more impact in reducing of prediction error in election results, have been used as input parameters in implementation. In this study, the Iranian parliamentary elections, modeled and predicted using learnable machines of neural network and neuro-fuzzy. Neuro-fuzzy machine combines the ability of knowledge representation of fuzzy sets and the learning power of neural networks simultaneously. In predicting the social and political behavior, the neural network is first trained by two learning algorithms using the training data set and then this machine predict the result on test data. Next, the learning of neuro-fuzzy inference machine is performed. Then, be compared the results of two machines.

  5. Solar Flare Prediction Model with Three Machine-learning Algorithms using Ultraviolet Brightening and Vector Magnetograms

    Science.gov (United States)

    Nishizuka, N.; Sugiura, K.; Kubo, Y.; Den, M.; Watari, S.; Ishii, M.

    2017-02-01

    We developed a flare prediction model using machine learning, which is optimized to predict the maximum class of flares occurring in the following 24 hr. Machine learning is used to devise algorithms that can learn from and make decisions on a huge amount of data. We used solar observation data during the period 2010–2015, such as vector magnetograms, ultraviolet (UV) emission, and soft X-ray emission taken by the Solar Dynamics Observatory and the Geostationary Operational Environmental Satellite. We detected active regions (ARs) from the full-disk magnetogram, from which ∼60 features were extracted with their time differentials, including magnetic neutral lines, the current helicity, the UV brightening, and the flare history. After standardizing the feature database, we fully shuffled and randomly separated it into two for training and testing. To investigate which algorithm is best for flare prediction, we compared three machine-learning algorithms: the support vector machine, k-nearest neighbors (k-NN), and extremely randomized trees. The prediction score, the true skill statistic, was higher than 0.9 with a fully shuffled data set, which is higher than that for human forecasts. It was found that k-NN has the highest performance among the three algorithms. The ranking of the feature importance showed that previous flare activity is most effective, followed by the length of magnetic neutral lines, the unsigned magnetic flux, the area of UV brightening, and the time differentials of features over 24 hr, all of which are strongly correlated with the flux emergence dynamics in an AR.

  6. Predicting Pre-planting Risk of Stagonospora nodorum blotch in Winter Wheat Using Machine Learning Models.

    Science.gov (United States)

    Mehra, Lucky K; Cowger, Christina; Gross, Kevin; Ojiambo, Peter S

    2016-01-01

    Pre-planting factors have been associated with the late-season severity of Stagonospora nodorum blotch (SNB), caused by the fungal pathogen Parastagonospora nodorum, in winter wheat (Triticum aestivum). The relative importance of these factors in the risk of SNB has not been determined and this knowledge can facilitate disease management decisions prior to planting of the wheat crop. In this study, we examined the performance of multiple regression (MR) and three machine learning algorithms namely artificial neural networks, categorical and regression trees, and random forests (RF), in predicting the pre-planting risk of SNB in wheat. Pre-planting factors tested as potential predictor variables were cultivar resistance, latitude, longitude, previous crop, seeding rate, seed treatment, tillage type, and wheat residue. Disease severity assessed at the end of the growing season was used as the response variable. The models were developed using 431 disease cases (unique combinations of predictors) collected from 2012 to 2014 and these cases were randomly divided into training, validation, and test datasets. Models were evaluated based on the regression of observed against predicted severity values of SNB, sensitivity-specificity ROC analysis, and the Kappa statistic. A strong relationship was observed between late-season severity of SNB and specific pre-planting factors in which latitude, longitude, wheat residue, and cultivar resistance were the most important predictors. The MR model explained 33% of variability in the data, while machine learning models explained 47 to 79% of the total variability. Similarly, the MR model correctly classified 74% of the disease cases, while machine learning models correctly classified 81 to 83% of these cases. Results show that the RF algorithm, which explained 79% of the variability within the data, was the most accurate in predicting the risk of SNB, with an accuracy rate of 93%. The RF algorithm could allow early assessment of

  7. Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

    CERN Document Server

    Rupp, Matthias; Müller, Klaus-Robert; von Lilienfeld, O Anatole

    2011-01-01

    We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schr\\"odinger equation is mapped onto a non-linear statistical regression problem of reduced complexity. Regression models are trained on and compared to atomization energies computed with hybrid density-functional theory. Cross-validation over more than seven thousand small organic molecules yields a mean absolute error of ~10 kcal/mol. Applicability is demonstrated for the prediction of molecular atomization potential energy curves.

  8. Physics-informed machine learning approach for reconstructing Reynolds stress modeling discrepancies based on DNS data

    Science.gov (United States)

    Wang, Jian-Xun; Wu, Jin-Long; Xiao, Heng

    2017-03-01

    Turbulence modeling is a critical component in numerical simulations of industrial flows based on Reynolds-averaged Navier-Stokes (RANS) equations. However, after decades of efforts in the turbulence modeling community, universally applicable RANS models with predictive capabilities are still lacking. Large discrepancies in the RANS-modeled Reynolds stresses are the main source that limits the predictive accuracy of RANS models. Identifying these discrepancies is of significance to possibly improve the RANS modeling. In this work, we propose a data-driven, physics-informed machine learning approach for reconstructing discrepancies in RANS modeled Reynolds stresses. The discrepancies are formulated as functions of the mean flow features. By using a modern machine learning technique based on random forests, the discrepancy functions are trained by existing direct numerical simulation (DNS) databases and then used to predict Reynolds stress discrepancies in different flows where data are not available. The proposed method is evaluated by two classes of flows: (1) fully developed turbulent flows in a square duct at various Reynolds numbers and (2) flows with massive separations. In separated flows, two training flow scenarios of increasing difficulties are considered: (1) the flow in the same periodic hills geometry yet at a lower Reynolds number and (2) the flow in a different hill geometry with a similar recirculation zone. Excellent predictive performances were observed in both scenarios, demonstrating the merits of the proposed method.

  9. A Physics-Informed Machine Learning Framework for RANS-based Predictive Turbulence Modeling

    Science.gov (United States)

    Xiao, Heng; Wu, Jinlong; Wang, Jianxun; Ling, Julia

    2016-11-01

    Numerical models based on the Reynolds-averaged Navier-Stokes (RANS) equations are widely used in turbulent flow simulations in support of engineering design and optimization. In these models, turbulence modeling introduces significant uncertainties in the predictions. In light of the decades-long stagnation encountered by the traditional approach of turbulence model development, data-driven methods have been proposed as a promising alternative. We will present a data-driven, physics-informed machine-learning framework for predictive turbulence modeling based on RANS models. The framework consists of three components: (1) prediction of discrepancies in RANS modeled Reynolds stresses based on machine learning algorithms, (2) propagation of improved Reynolds stresses to quantities of interests with a modified RANS solver, and (3) quantitative, a priori assessment of predictive confidence based on distance metrics in the mean flow feature space. Merits of the proposed framework are demonstrated in a class of flows featuring massive separations. Significant improvements over the baseline RANS predictions are observed. The favorable results suggest that the proposed framework is a promising path toward RANS-based predictive turbulence in the era of big data. (SAND2016-7435 A).

  10. Estimating the complexity of 3D structural models using machine learning methods

    Science.gov (United States)

    Mejía-Herrera, Pablo; Kakurina, Maria; Royer, Jean-Jacques

    2016-04-01

    Quantifying the complexity of 3D geological structural models can play a major role in natural resources exploration surveys, for predicting environmental hazards or for forecasting fossil resources. This paper proposes a structural complexity index which can be used to help in defining the degree of effort necessary to build a 3D model for a given degree of confidence, and also to identify locations where addition efforts are required to meet a given acceptable risk of uncertainty. In this work, it is considered that the structural complexity index can be estimated using machine learning methods on raw geo-data. More precisely, the metrics for measuring the complexity can be approximated as the difficulty degree associated to the prediction of the geological objects distribution calculated based on partial information on the actual structural distribution of materials. The proposed methodology is tested on a set of 3D synthetic structural models for which the degree of effort during their building is assessed using various parameters (such as number of faults, number of part in a surface object, number of borders, ...), the rank of geological elements contained in each model, and, finally, their level of deformation (folding and faulting). The results show how the estimated complexity in a 3D model can be approximated by the quantity of partial data necessaries to simulated at a given precision the actual 3D model without error using machine learning algorithms.

  11. Machine learning with R cookbook

    CERN Document Server

    Chiu, Yu-Wei

    2015-01-01

    If you want to learn how to use R for machine learning and gain insights from your data, then this book is ideal for you. Regardless of your level of experience, this book covers the basics of applying R to machine learning through to advanced techniques. While it is helpful if you are familiar with basic programming or machine learning concepts, you do not require prior experience to benefit from this book.

  12. Use of different sampling schemes in machine learning-based prediction of hydrological models' uncertainty

    Science.gov (United States)

    Kayastha, Nagendra; Solomatine, Dimitri; Lal Shrestha, Durga; van Griensven, Ann

    2013-04-01

    In recent years, a lot of attention in the hydrologic literature is given to model parameter uncertainty analysis. The robustness estimation of uncertainty depends on the efficiency of sampling method used to generate the best fit responses (outputs) and on ease of use. This paper aims to investigate: (1) how sampling strategies effect the uncertainty estimations of hydrological models, (2) how to use this information in machine learning predictors of models uncertainty. Sampling of parameters may employ various algorithms. We compared seven different algorithms namely, Monte Carlo (MC) simulation, generalized likelihood uncertainty estimation (GLUE), Markov chain Monte Carlo (MCMC), shuffled complex evolution metropolis algorithm (SCEMUA), differential evolution adaptive metropolis (DREAM), partical swarm optimization (PSO) and adaptive cluster covering (ACCO) [1]. These methods were applied to estimate uncertainty of streamflow simulation using conceptual model HBV and Semi-distributed hydrological model SWAT. Nzoia catchment in West Kenya is considered as the case study. The results are compared and analysed based on the shape of the posterior distribution of parameters, uncertainty results on model outputs. The MLUE method [2] uses results of Monte Carlo sampling (or any other sampling shceme) to build a machine learning (regression) model U able to predict uncertainty (quantiles of pdf) of a hydrological model H outputs. Inputs to these models are specially identified representative variables (past events precipitation and flows). The trained machine learning models are then employed to predict the model output uncertainty which is specific for the new input data. The problem here is that different sampling algorithms result in different data sets used to train such a model U, which leads to several models (and there is no clear evidence which model is the best since there is no basis for comparison). A solution could be to form a committee of all models U and

  13. Glucose Oxidase Biosensor Modeling and Predictors Optimization by Machine Learning Methods

    Directory of Open Access Journals (Sweden)

    Felix F. Gonzalez-Navarro

    2016-10-01

    Full Text Available Biosensors are small analytical devices incorporating a biological recognition element and a physico-chemical transducer to convert a biological signal into an electrical reading. Nowadays, their technological appeal resides in their fast performance, high sensitivity and continuous measuring capabilities; however, a full understanding is still under research. This paper aims to contribute to this growing field of biotechnology, with a focus on Glucose-Oxidase Biosensor (GOB modeling through statistical learning methods from a regression perspective. We model the amperometric response of a GOB with dependent variables under different conditions, such as temperature, benzoquinone, pH and glucose concentrations, by means of several machine learning algorithms. Since the sensitivity of a GOB response is strongly related to these dependent variables, their interactions should be optimized to maximize the output signal, for which a genetic algorithm and simulated annealing are used. We report a model that shows a good generalization error and is consistent with the optimization.

  14. Glucose Oxidase Biosensor Modeling and Predictors Optimization by Machine Learning Methods †

    Science.gov (United States)

    Gonzalez-Navarro, Felix F.; Stilianova-Stoytcheva, Margarita; Renteria-Gutierrez, Livier; Belanche-Muñoz, Lluís A.; Flores-Rios, Brenda L.; Ibarra-Esquer, Jorge E.

    2016-01-01

    Biosensors are small analytical devices incorporating a biological recognition element and a physico-chemical transducer to convert a biological signal into an electrical reading. Nowadays, their technological appeal resides in their fast performance, high sensitivity and continuous measuring capabilities; however, a full understanding is still under research. This paper aims to contribute to this growing field of biotechnology, with a focus on Glucose-Oxidase Biosensor (GOB) modeling through statistical learning methods from a regression perspective. We model the amperometric response of a GOB with dependent variables under different conditions, such as temperature, benzoquinone, pH and glucose concentrations, by means of several machine learning algorithms. Since the sensitivity of a GOB response is strongly related to these dependent variables, their interactions should be optimized to maximize the output signal, for which a genetic algorithm and simulated annealing are used. We report a model that shows a good generalization error and is consistent with the optimization. PMID:27792165

  15. Probabilistic machine learning and artificial intelligence.

    Science.gov (United States)

    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.

  16. Probabilistic machine learning and artificial intelligence

    Science.gov (United States)

    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.

  17. Biosimilarity Assessments of Model IgG1-Fc Glycoforms Using a Machine Learning Approach.

    Science.gov (United States)

    Kim, Jae Hyun; Joshi, Sangeeta B; Tolbert, Thomas J; Middaugh, C Russell; Volkin, David B; Smalter Hall, Aaron

    2016-02-01

    Biosimilarity assessments are performed to decide whether 2 preparations of complex biomolecules can be considered "highly similar." In this work, a machine learning approach is demonstrated as a mathematical tool for such assessments using a variety of analytical data sets. As proof-of-principle, physical stability data sets from 8 samples, 4 well-defined immunoglobulin G1-Fragment crystallizable glycoforms in 2 different formulations, were examined (see More et al., companion article in this issue). The data sets included triplicate measurements from 3 analytical methods across different pH and temperature conditions (2066 data features). Established machine learning techniques were used to determine whether the data sets contain sufficient discriminative power in this application. The support vector machine classifier identified the 8 distinct samples with high accuracy. For these data sets, there exists a minimum threshold in terms of information quality and volume to grant enough discriminative power. Generally, data from multiple analytical techniques, multiple pH conditions, and at least 200 representative features were required to achieve the highest discriminative accuracy. In addition to classification accuracy tests, various methods such as sample space visualization, similarity analysis based on Euclidean distance, and feature ranking by mutual information scores are demonstrated to display their effectiveness as modeling tools for biosimilarity assessments.

  18. Supercomputer Assisted Generation of Machine Learning Agents for the Calibration of Building Energy Models

    Energy Technology Data Exchange (ETDEWEB)

    Sanyal, Jibonananda [ORNL; New, Joshua Ryan [ORNL; Edwards, Richard [ORNL

    2013-01-01

    Building Energy Modeling (BEM) is an approach to model the energy usage in buildings for design and retrot pur- poses. EnergyPlus is the agship Department of Energy software that performs BEM for dierent types of buildings. The input to EnergyPlus can often extend in the order of a few thousand parameters which have to be calibrated manu- ally by an expert for realistic energy modeling. This makes it challenging and expensive thereby making building en- ergy modeling unfeasible for smaller projects. In this paper, we describe the \\Autotune" research which employs machine learning algorithms to generate agents for the dierent kinds of standard reference buildings in the U.S. building stock. The parametric space and the variety of building locations and types make this a challenging computational problem necessitating the use of supercomputers. Millions of En- ergyPlus simulations are run on supercomputers which are subsequently used to train machine learning algorithms to generate agents. These agents, once created, can then run in a fraction of the time thereby allowing cost-eective cali- bration of building models.

  19. Physics-Informed Machine Learning for Predictive Turbulence Modeling: Using Data to Improve RANS Modeled Reynolds Stresses

    CERN Document Server

    Wang, Jian-Xun; Xiao, Heng

    2016-01-01

    Turbulence modeling is a critical component in numerical simulations of industrial flows based on Reynolds-averaged Navier-Stokes (RANS) equations. However, after decades of efforts in the turbulence modeling community, universally applicable RANS models with predictive capabilities are still lacking. Recently, data-driven methods have been proposed as a promising alternative to the traditional approaches of turbulence model development. In this work we propose a data-driven, physics-informed machine learning approach for predicting discrepancies in RANS modeled Reynolds stresses. The discrepancies are formulated as functions of the mean flow features. By using a modern machine learning technique based on random forests, the discrepancy functions are first trained with benchmark flow data and then used to predict Reynolds stresses discrepancies in new flows. The method is used to predict the Reynolds stresses in the flow over periodic hills by using two training flow scenarios of increasing difficulties: (1) ...

  20. Learning Extended Finite State Machines

    Science.gov (United States)

    Cassel, Sofia; Howar, Falk; Jonsson, Bengt; Steffen, Bernhard

    2014-01-01

    We present an active learning algorithm for inferring extended finite state machines (EFSM)s, combining data flow and control behavior. Key to our learning technique is a novel learning model based on so-called tree queries. The learning algorithm uses the tree queries to infer symbolic data constraints on parameters, e.g., sequence numbers, time stamps, identifiers, or even simple arithmetic. We describe sufficient conditions for the properties that the symbolic constraints provided by a tree query in general must have to be usable in our learning model. We have evaluated our algorithm in a black-box scenario, where tree queries are realized through (black-box) testing. Our case studies include connection establishment in TCP and a priority queue from the Java Class Library.

  1. An introduction to machine learning with Scikit-Learn

    CERN Document Server

    CERN. Geneva

    2015-01-01

    This tutorial gives an introduction to the scientific ecosystem for data analysis and machine learning in Python. After a short introduction of machine learning concepts, we will demonstrate on High Energy Physics data how a basic supervised learning analysis can be carried out using the Scikit-Learn library. Topics covered include data loading facilities and data representation, supervised learning algorithms, pipelines, model selection and evaluation, and model introspection.

  2. The applications of machine learning algorithms in the modeling of estrogen-like chemicals.

    Science.gov (United States)

    Liu, Huanxiang; Yao, Xiaojun; Gramatica, Paola

    2009-06-01

    Increasing concern is being shown by the scientific community, government regulators, and the public about endocrine-disrupting chemicals that, in the environment, are adversely affecting human and wildlife health through a variety of mechanisms, mainly estrogen receptor-mediated mechanisms of toxicity. Because of the large number of such chemicals in the environment, there is a great need for an effective means of rapidly assessing endocrine-disrupting activity in the toxicology assessment process. When faced with the challenging task of screening large libraries of molecules for biological activity, the benefits of computational predictive models based on quantitative structure-activity relationships to identify possible estrogens become immediately obvious. Recently, in order to improve the accuracy of prediction, some machine learning techniques were introduced to build more effective predictive models. In this review we will focus our attention on some recent advances in the use of these methods in modeling estrogen-like chemicals. The advantages and disadvantages of the machine learning algorithms used in solving this problem, the importance of the validation and performance assessment of the built models as well as their applicability domains will be discussed.

  3. Extreme learning machines 2013 algorithms and applications

    CERN Document Server

    Toh, Kar-Ann; Romay, Manuel; Mao, Kezhi

    2014-01-01

    In recent years, ELM has emerged as a revolutionary technique of computational intelligence, and has attracted considerable attentions. An extreme learning machine (ELM) is a single layer feed-forward neural network alike learning system, whose connections from the input layer to the hidden layer are randomly generated, while the connections from the hidden layer to the output layer are learned through linear learning methods. The outstanding merits of extreme learning machine (ELM) are its fast learning speed, trivial human intervene and high scalability.   This book contains some selected papers from the International Conference on Extreme Learning Machine 2013, which was held in Beijing China, October 15-17, 2013. This conference aims to bring together the researchers and practitioners of extreme learning machine from a variety of fields including artificial intelligence, biomedical engineering and bioinformatics, system modelling and control, and signal and image processing, to promote research and discu...

  4. Quantum-Enhanced Machine Learning.

    Science.gov (United States)

    Dunjko, Vedran; Taylor, Jacob M; Briegel, Hans J

    2016-09-23

    The emerging field of quantum machine learning has the potential to substantially aid in the problems and scope of artificial intelligence. This is only enhanced by recent successes in the field of classical machine learning. In this work we propose an approach for the systematic treatment of machine learning, from the perspective of quantum information. Our approach is general and covers all three main branches of machine learning: supervised, unsupervised, and reinforcement learning. While quantum improvements in supervised and unsupervised learning have been reported, reinforcement learning has received much less attention. Within our approach, we tackle the problem of quantum enhancements in reinforcement learning as well, and propose a systematic scheme for providing improvements. As an example, we show that quadratic improvements in learning efficiency, and exponential improvements in performance over limited time periods, can be obtained for a broad class of learning problems.

  5. Quantum-Enhanced Machine Learning

    Science.gov (United States)

    Dunjko, Vedran; Taylor, Jacob M.; Briegel, Hans J.

    2016-09-01

    The emerging field of quantum machine learning has the potential to substantially aid in the problems and scope of artificial intelligence. This is only enhanced by recent successes in the field of classical machine learning. In this work we propose an approach for the systematic treatment of machine learning, from the perspective of quantum information. Our approach is general and covers all three main branches of machine learning: supervised, unsupervised, and reinforcement learning. While quantum improvements in supervised and unsupervised learning have been reported, reinforcement learning has received much less attention. Within our approach, we tackle the problem of quantum enhancements in reinforcement learning as well, and propose a systematic scheme for providing improvements. As an example, we show that quadratic improvements in learning efficiency, and exponential improvements in performance over limited time periods, can be obtained for a broad class of learning problems.

  6. Quantum adiabatic machine learning

    CERN Document Server

    Pudenz, Kristen L

    2011-01-01

    We develop an approach to machine learning and anomaly detection via quantum adiabatic evolution. 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. We apply and illustrate this approach in detail to the problem of software verification and validation.

  7. Machine learning in healthcare informatics

    CERN Document Server

    Acharya, U; Dua, Prerna

    2014-01-01

    The book is a unique effort to represent a variety of techniques designed to represent, enhance, and empower multi-disciplinary and multi-institutional machine learning research in healthcare informatics. The book provides a unique compendium of current and emerging machine learning paradigms for healthcare informatics and reflects the diversity, complexity and the depth and breath of this multi-disciplinary area. The integrated, panoramic view of data and machine learning techniques can provide an opportunity for novel clinical insights and discoveries.

  8. Uncertainty "escalation" and use of machine learning to forecast residual and data model uncertainties

    Science.gov (United States)

    Solomatine, Dimitri

    2016-04-01

    When speaking about model uncertainty many authors implicitly assume the data uncertainty (mainly in parameters or inputs) which is probabilistically described by distributions. Often however it is look also into the residual uncertainty as well. It is hence reasonable to classify the main approaches to uncertainty analysis with respect to the two main types of model uncertainty that can be distinguished: A. The residual uncertainty of models. In this case the model parameters and/or model inputs are considered to be fixed (deterministic), i.e. the model is considered to be optimal (calibrated) and deterministic. Model error is considered as the manifestation of uncertainty. If there is enough past data about the model errors (i.e. it uncertainty), it is possible to build a statistical or machine learning model of uncertainty trained on this data. The following methods can be mentioned: (a) quantile regression (QR) method by Koenker and Basset in which linear regression is used to build predictive models for distribution quantiles [1] (b) a more recent approach that takes into account the input variables influencing such uncertainty and uses more advanced machine learning (non-linear) methods (neural networks, model trees etc.) - the UNEEC method [2,3,7] (c) and even more recent DUBRAUE method (Dynamic Uncertainty Model By Regression on Absolute Error), a autoregressive model of model residuals (it corrects the model residual first and then carries out the uncertainty prediction by a autoregressive statistical model) [5] B. The data uncertainty (parametric and/or input) - in this case we study the propagation of uncertainty (presented typically probabilistically) from parameters or inputs to the model outputs. In case of simple functions representing models analytical approaches can be used, or approximation methods (e.g., first-order second moment method). However, for real complex non-linear models implemented in software there is no other choice except using

  9. A New Profile Learning Model for Recommendation System based on Machine Learning Technique

    Directory of Open Access Journals (Sweden)

    Shereen H. Ali

    2016-03-01

    Full Text Available Recommender systems (RSs have been used to successfully address the information overload problem by providing personalized and targeted recommendations to the end users. RSs are software tools and techniques providing suggestions for items to be of use to a user, hence, they typically apply techniques and methodologies from Data Mining. The main contribution of this paper is to introduce a new user profile learning model to promote the recommendation accuracy of vertical recommendation systems. The proposed profile learning model employs the vertical classifier that has been used in multi classification module of the Intelligent Adaptive Vertical Recommendation (IAVR system to discover the user’s area of interest, and then build the user’s profile accordingly. Experimental results have proven the effectiveness of the proposed profile learning model, which accordingly will promote the recommendation accuracy.

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

    Science.gov (United States)

    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.

  11. Structure Based Thermostability Prediction Models for Protein Single Point Mutations with Machine Learning Tools.

    Science.gov (United States)

    Jia, Lei; Yarlagadda, Ramya; Reed, Charles C

    2015-01-01

    Thermostability issue of protein point mutations is a common occurrence in protein engineering. An application which predicts the thermostability of mutants can be helpful for guiding decision making process in protein design via mutagenesis. An in silico point mutation scanning method is frequently used to find "hot spots" in proteins for focused mutagenesis. ProTherm (http://gibk26.bio.kyutech.ac.jp/jouhou/Protherm/protherm.html) is a public database that consists of thousands of protein mutants' experimentally measured thermostability. Two data sets based on two differently measured thermostability properties of protein single point mutations, namely the unfolding free energy change (ddG) and melting temperature change (dTm) were obtained from this database. Folding free energy change calculation from Rosetta, structural information of the point mutations as well as amino acid physical properties were obtained for building thermostability prediction models with informatics modeling tools. Five supervised machine learning methods (support vector machine, random forests, artificial neural network, naïve Bayes classifier, K nearest neighbor) and partial least squares regression are used for building the prediction models. Binary and ternary classifications as well as regression models were built and evaluated. Data set redundancy and balancing, the reverse mutations technique, feature selection, and comparison to other published methods were discussed. Rosetta calculated folding free energy change ranked as the most influential features in all prediction models. Other descriptors also made significant contributions to increasing the accuracy of the prediction models.

  12. Predicting Freeway Work Zone Delays and Costs with a Hybrid Machine-Learning Model

    Directory of Open Access Journals (Sweden)

    Bo Du

    2017-01-01

    Full Text Available A hybrid machine-learning model, integrating an artificial neural network (ANN and a support vector machine (SVM model, is developed to predict spatiotemporal delays, subject to road geometry, number of lane closures, and work zone duration in different periods of a day and in the days of a week. The model is very user friendly, allowing the least inputs from the users. With that the delays caused by a work zone on any location of a New Jersey freeway can be predicted. To this end, tremendous amounts of data from different sources were collected to establish the relationship between the model inputs and outputs. A comparative analysis was conducted, and results indicate that the proposed model outperforms others in terms of the least root mean square error (RMSE. The proposed hybrid model can be used to calculate contractor penalty in terms of cost overruns as well as incentive reward schedule in case of early work competition. Additionally, it can assist work zone planners in determining the best start and end times of a work zone for developing and evaluating traffic mitigation and management plans.

  13. Structure Based Thermostability Prediction Models for Protein Single Point Mutations with Machine Learning Tools.

    Directory of Open Access Journals (Sweden)

    Lei Jia

    Full Text Available Thermostability issue of protein point mutations is a common occurrence in protein engineering. An application which predicts the thermostability of mutants can be helpful for guiding decision making process in protein design via mutagenesis. An in silico point mutation scanning method is frequently used to find "hot spots" in proteins for focused mutagenesis. ProTherm (http://gibk26.bio.kyutech.ac.jp/jouhou/Protherm/protherm.html is a public database that consists of thousands of protein mutants' experimentally measured thermostability. Two data sets based on two differently measured thermostability properties of protein single point mutations, namely the unfolding free energy change (ddG and melting temperature change (dTm were obtained from this database. Folding free energy change calculation from Rosetta, structural information of the point mutations as well as amino acid physical properties were obtained for building thermostability prediction models with informatics modeling tools. Five supervised machine learning methods (support vector machine, random forests, artificial neural network, naïve Bayes classifier, K nearest neighbor and partial least squares regression are used for building the prediction models. Binary and ternary classifications as well as regression models were built and evaluated. Data set redundancy and balancing, the reverse mutations technique, feature selection, and comparison to other published methods were discussed. Rosetta calculated folding free energy change ranked as the most influential features in all prediction models. Other descriptors also made significant contributions to increasing the accuracy of the prediction models.

  14. A machine learning approach to the potential-field method for implicit modeling of geological structures

    Science.gov (United States)

    Gonçalves, Ítalo Gomes; Kumaira, Sissa; Guadagnin, Felipe

    2017-06-01

    Implicit modeling has experienced a rise in popularity over the last decade due to its advantages in terms of speed and reproducibility in comparison with manual digitization of geological structures. The potential-field method consists in interpolating a scalar function that indicates to which side of a geological boundary a given point belongs to, based on cokriging of point data and structural orientations. This work proposes a vector potential-field solution from a machine learning perspective, recasting the problem as multi-class classification, which alleviates some of the original method's assumptions. The potentials related to each geological class are interpreted in a compositional data framework. Variogram modeling is avoided through the use of maximum likelihood to train the model, and an uncertainty measure is introduced. The methodology was applied to the modeling of a sample dataset provided with the software Move™. The calculations were implemented in the R language and 3D visualizations were prepared with the rgl package.

  15. Machine learning techniques for astrophysical modelling and photometric redshift estimation of quasars in optical sky surveys

    CERN Document Server

    Kumar, N Daniel

    2008-01-01

    Machine learning techniques are utilised in several areas of astrophysical research today. This dissertation addresses the application of ML techniques to two classes of problems in astrophysics, namely, the analysis of individual astronomical phenomena over time and the automated, simultaneous analysis of thousands of objects in large optical sky surveys. Specifically investigated are (1) techniques to approximate the precise orbits of the satellites of Jupiter and Saturn given Earth-based observations as well as (2) techniques to quickly estimate the distances of quasars observed in the Sloan Digital Sky Survey. Learning methods considered include genetic algorithms, particle swarm optimisation, artificial neural networks, and radial basis function networks. The first part of this dissertation demonstrates that GAs and PSOs can both be efficiently used to model functions that are highly non-linear in several dimensions. It is subsequently demonstrated in the second part that ANNs and RBFNs can be used as ef...

  16. Evaluating machine learning and statistical prediction techniques for landslide susceptibility modeling

    Science.gov (United States)

    Goetz, J. N.; Brenning, A.; Petschko, H.; Leopold, P.

    2015-08-01

    Statistical and now machine learning prediction methods have been gaining popularity in the field of landslide susceptibility modeling. Particularly, these data driven approaches show promise when tackling the challenge of mapping landslide prone areas for large regions, which may not have sufficient geotechnical data to conduct physically-based methods. Currently, there is no best method for empirical susceptibility modeling. Therefore, this study presents a comparison of traditional statistical and novel machine learning models applied for regional scale landslide susceptibility modeling. These methods were evaluated by spatial k-fold cross-validation estimation of the predictive performance, assessment of variable importance for gaining insights into model behavior and by the appearance of the prediction (i.e. susceptibility) map. The modeling techniques applied were logistic regression (GLM), generalized additive models (GAM), weights of evidence (WOE), the support vector machine (SVM), random forest classification (RF), and bootstrap aggregated classification trees (bundling) with penalized discriminant analysis (BPLDA). These modeling methods were tested for three areas in the province of Lower Austria, Austria. The areas are characterized by different geological and morphological settings. Random forest and bundling classification techniques had the overall best predictive performances. However, the performances of all modeling techniques were for the majority not significantly different from each other; depending on the areas of interest, the overall median estimated area under the receiver operating characteristic curve (AUROC) differences ranged from 2.9 to 8.9 percentage points. The overall median estimated true positive rate (TPR) measured at a 10% false positive rate (FPR) differences ranged from 11 to 15pp. The relative importance of each predictor was generally different between the modeling methods. However, slope angle, surface roughness and plan

  17. Deep Extreme Learning Machine and Its Application in EEG Classification

    OpenAIRE

    Shifei Ding; Nan Zhang; Xinzheng Xu; Lili Guo; Jian Zhang

    2015-01-01

    Recently, deep learning has aroused wide interest in machine learning fields. Deep learning is a multilayer perceptron artificial neural network algorithm. Deep learning has the advantage of approximating the complicated function and alleviating the optimization difficulty associated with deep models. Multilayer extreme learning machine (MLELM) is a learning algorithm of an artificial neural network which takes advantages of deep learning and extreme learning machine. Not only does MLELM appr...

  18. Deep Extreme Learning Machine and Its Application in EEG Classification

    OpenAIRE

    2015-01-01

    Recently, deep learning has aroused wide interest in machine learning fields. Deep learning is a multilayer perceptron artificial neural network algorithm. Deep learning has the advantage of approximating the complicated function and alleviating the optimization difficulty associated with deep models. Multilayer extreme learning machine (MLELM) is a learning algorithm of an artificial neural network which takes advantages of deep learning and extreme learning machine. Not only does MLELM appr...

  19. Stacked Extreme Learning Machines.

    Science.gov (United States)

    Zhou, Hongming; Huang, Guang-Bin; Lin, Zhiping; Wang, Han; Soh, Yeng Chai

    2015-09-01

    Extreme learning machine (ELM) has recently attracted many researchers' interest due to its very fast learning speed, good generalization ability, and ease of implementation. It provides a unified solution that can be used directly to solve regression, binary, and multiclass classification problems. In this paper, we propose a stacked ELMs (S-ELMs) that is specially designed for solving large and complex data problems. The S-ELMs divides a single large ELM network into multiple stacked small ELMs which are serially connected. The S-ELMs can approximate a very large ELM network with small memory requirement. To further improve the testing accuracy on big data problems, the ELM autoencoder can be implemented during each iteration of the S-ELMs algorithm. The simulation results show that the S-ELMs even with random hidden nodes can achieve similar testing accuracy to support vector machine (SVM) while having low memory requirements. With the help of ELM autoencoder, the S-ELMs can achieve much better testing accuracy than SVM and slightly better accuracy than deep belief network (DBN) with much faster training speed.

  20. Machine Learning Model of the Swift/BAT Trigger Algorithm for Long GRB Population Studies

    CERN Document Server

    Graff, Philip B; Baker, John G; Sakamoto, Takanori

    2015-01-01

    To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift/BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien 2014 is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of $\\gtrsim97\\%$ ($\\lesssim 3\\%$ error), which is a significant improvement on a cut in GRB flux which has an accuracy of $89.6\\%$ ($10.4\\%$ error). These models are then used to measure the detection efficiency of Swift as a function of redshift $z$, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of $n_0 \\sim 0.48^{+0.41}_{-0.23} \\ {\\rm Gpc}^{-3} {\\...

  1. Machine Learning Techniques for Single Nucleotide Polymorphism—Disease Classification Models in Schizophrenia

    Directory of Open Access Journals (Sweden)

    Cristian R. Munteanu

    2010-07-01

    Full Text Available Single nucleotide polymorphisms (SNPs can be used as inputs in disease computational studies such as pattern searching and classification models. Schizophrenia is an example of a complex disease with an important social impact. The multiple causes of this disease create the need of new genetic or proteomic patterns that can diagnose patients using biological information. This work presents a computational study of disease machine learning classification models using only single nucleotide polymorphisms at the HTR2A and DRD3 genes from Galician (Northwest Spain schizophrenic patients. These classification models establish for the first time, to the best knowledge of the authors, a relationship between the sequence of the nucleic acid molecule and schizophrenia (Quantitative Genotype – Disease Relationships that can automatically recognize schizophrenia DNA sequences and correctly classify between 78.3–93.8% of schizophrenia subjects when using datasets which include simulated negative subjects and a linear artificial neural network.

  2. Physics-Informed Machine Learning for Predictive Turbulence Modeling: A Priori Assessment of Prediction Confidence

    CERN Document Server

    Wu, Jin-Long; Xiao, Heng; Ling, Julia

    2016-01-01

    Although Reynolds-Averaged Navier-Stokes (RANS) equations are still the dominant tool for engineering design and analysis applications involving turbulent flows, standard RANS models are known to be unreliable in many flows of engineering relevance, including flows with separation, strong pressure gradients or mean flow curvature. With increasing amounts of 3-dimensional experimental data and high fidelity simulation data from Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS), data-driven turbulence modeling has become a promising approach to increase the predictive capability of RANS simulations. Recently, a data-driven turbulence modeling approach via machine learning has been proposed to predict the Reynolds stress anisotropy of a given flow based on high fidelity data from closely related flows. In this work, the closeness of different flows is investigated to assess the prediction confidence a priori. Specifically, the Mahalanobis distance and the kernel density estimation (KDE) technique...

  3. Prediction of effluent concentration in a wastewater treatment plant using machine learning models.

    Science.gov (United States)

    Guo, Hong; Jeong, Kwanho; Lim, Jiyeon; Jo, Jeongwon; Kim, Young Mo; Park, Jong-pyo; Kim, Joon Ha; Cho, Kyung Hwa

    2015-06-01

    Of growing amount of food waste, the integrated food waste and waste water treatment was regarded as one of the efficient modeling method. However, the load of food waste to the conventional waste treatment process might lead to the high concentration of total nitrogen (T-N) impact on the effluent water quality. The objective of this study is to establish two machine learning models-artificial neural networks (ANNs) and support vector machines (SVMs), in order to predict 1-day interval T-N concentration of effluent from a wastewater treatment plant in Ulsan, Korea. Daily water quality data and meteorological data were used and the performance of both models was evaluated in terms of the coefficient of determination (R2), Nash-Sutcliff efficiency (NSE), relative efficiency criteria (drel). Additionally, Latin-Hypercube one-factor-at-a-time (LH-OAT) and a pattern search algorithm were applied to sensitivity analysis and model parameter optimization, respectively. Results showed that both models could be effectively applied to the 1-day interval prediction of T-N concentration of effluent. SVM model showed a higher prediction accuracy in the training stage and similar result in the validation stage. However, the sensitivity analysis demonstrated that the ANN model was a superior model for 1-day interval T-N concentration prediction in terms of the cause-and-effect relationship between T-N concentration and modeling input values to integrated food waste and waste water treatment. This study suggested the efficient and robust nonlinear time-series modeling method for an early prediction of the water quality of integrated food waste and waste water treatment process. Copyright © 2015. Published by Elsevier B.V.

  4. Quick Estimation Model for the Concentration of Indoor Airborne Culturable Bacteria: An Application of Machine Learning

    Directory of Open Access Journals (Sweden)

    Zhijian Liu

    2017-07-01

    Full Text Available Indoor airborne culturable bacteria are sometimes harmful to human health. Therefore, a quick estimation of their concentration is particularly necessary. However, measuring the indoor microorganism concentration (e.g., bacteria usually requires a large amount of time, economic cost, and manpower. In this paper, we aim to provide a quick solution: using knowledge-based machine learning to provide quick estimation of the concentration of indoor airborne culturable bacteria only with the inputs of several measurable indoor environmental indicators, including: indoor particulate matter (PM2.5 and PM10, temperature, relative humidity, and CO2 concentration. Our results show that a general regression neural network (GRNN model can sufficiently provide a quick and decent estimation based on the model training and testing using an experimental database with 249 data groups.

  5. Quick Estimation Model for the Concentration of Indoor Airborne Culturable Bacteria: An Application of Machine Learning.

    Science.gov (United States)

    Liu, Zhijian; Li, Hao; Cao, Guoqing

    2017-07-30

    Indoor airborne culturable bacteria are sometimes harmful to human health. Therefore, a quick estimation of their concentration is particularly necessary. However, measuring the indoor microorganism concentration (e.g., bacteria) usually requires a large amount of time, economic cost, and manpower. In this paper, we aim to provide a quick solution: using knowledge-based machine learning to provide quick estimation of the concentration of indoor airborne culturable bacteria only with the inputs of several measurable indoor environmental indicators, including: indoor particulate matter (PM2.5 and PM10), temperature, relative humidity, and CO₂ concentration. Our results show that a general regression neural network (GRNN) model can sufficiently provide a quick and decent estimation based on the model training and testing using an experimental database with 249 data groups.

  6. Machine Learning Exciton Dynamics

    CERN Document Server

    Häse, Florian; Pyzer-Knapp, Edward; Aspuru-Guzik, Alán

    2015-01-01

    Obtaining the exciton dynamics of large photosynthetic complexes by using mixed quantum mechanics/molecular mechanics (QM/MM) is computationally demanding. We propose a machine learning technique, multi-layer perceptrons, as a tool to reduce the time required to compute excited state energies. With this approach we predict time-dependent density functional theory (TDDFT) excited state energies of bacteriochlorophylls in the Fenna-Matthews-Olson (FMO) complex. Additionally we compute spectral densities and exciton populations from the predictions. Different methods to determine multi-layer perceptron training sets are introduced, leading to several initial data selections. In addition, we compute spectral densities and exciton populations. Once multi-layer perceptrons are trained, predicting excited state energies was found to be significantly faster than the corresponding QM/MM calculations. We showed that multi-layer perceptrons can successfully reproduce the energies of QM/MM calculations to a high degree o...

  7. Machine Learning for Medical Imaging.

    Science.gov (United States)

    Erickson, Bradley J; Korfiatis, Panagiotis; Akkus, Zeynettin; Kline, Timothy L

    2017-01-01

    Machine learning is a technique for recognizing patterns that can be applied to medical images. Although it is a powerful tool that can help in rendering medical diagnoses, it can be misapplied. Machine learning typically begins with the machine learning algorithm system computing the image features that are believed to be of importance in making the prediction or diagnosis of interest. The machine learning algorithm system then identifies the best combination of these image features for classifying the image or computing some metric for the given image region. There are several methods that can be used, each with different strengths and weaknesses. There are open-source versions of most of these machine learning methods that make them easy to try and apply to images. Several metrics for measuring the performance of an algorithm exist; however, one must be aware of the possible associated pitfalls that can result in misleading metrics. More recently, deep learning has started to be used; this method has the benefit that it does not require image feature identification and calculation as a first step; rather, features are identified as part of the learning process. Machine learning has been used in medical imaging and will have a greater influence in the future. Those working in medical imaging must be aware of how machine learning works. (©)RSNA, 2017.

  8. FACT. Streamed data analysis and online application of machine learning models

    Energy Technology Data Exchange (ETDEWEB)

    Bruegge, Kai Arno; Buss, Jens [Technische Universitaet Dortmund (Germany). Astroteilchenphysik; Collaboration: FACT-Collaboration

    2016-07-01

    Imaging Atmospheric Cherenkov Telescopes (IACTs) like FACT produce a continuous flow of data during measurements. Analyzing the data in near real time is essential for monitoring sources. One major task of a monitoring system is to detect changes in the gamma-ray flux of a source, and to alert other experiments if some predefined limit is reached. In order to calculate the flux of an observed source, it is necessary to run an entire data analysis process including calibration, image cleaning, parameterization, signal-background separation and flux estimation. Software built on top of a data streaming framework has been implemented for FACT and generalized to work with the data acquisition framework of the Cherenkov Telescope Array (CTA). We present how the streams-framework is used to apply supervised machine learning models to an online data stream from the telescope.

  9. Accelerating a hybrid continuum-atomistic fluidic model with on-the-fly machine learning

    CERN Document Server

    Stephenson, David; Lockerby, Duncan A

    2016-01-01

    We present a hybrid continuum-atomistic scheme which combines molecular dynamics (MD) simulations with on-the-fly machine learning techniques for the accurate and efficient prediction of multiscale fluidic systems. By using a Gaussian process as a surrogate model for the computationally expensive MD simulations, we use Bayesian inference to predict the system behaviour at the atomistic scale, purely by consideration of the macroscopic inputs and outputs. Whenever the uncertainty of this prediction is greater than a predetermined acceptable threshold, a new MD simulation is performed to continually augment the database, which is never required to be complete. This provides a substantial enhancement to the current generation of hybrid methods, which often require many similar atomistic simulations to be performed, discarding information after it is used once. We apply our hybrid scheme to nano-confined unsteady flow through a high-aspect-ratio converging-diverging channel, and make comparisons between the new s...

  10. Machine learning algorithms for modeling groundwater level changes in agricultural regions of the U.S.

    Science.gov (United States)

    Sahoo, S.; Russo, T. A.; Elliott, J.; Foster, I.

    2017-05-01

    Climate, groundwater extraction, and surface water flows have complex nonlinear relationships with groundwater level in agricultural regions. To better understand the relative importance of each driver and predict groundwater level change, we develop a new ensemble modeling framework based on spectral analysis, machine learning, and uncertainty analysis, as an alternative to complex and computationally expensive physical models. We apply and evaluate this new approach in the context of two aquifer systems supporting agricultural production in the United States: the High Plains aquifer (HPA) and the Mississippi River Valley alluvial aquifer (MRVA). We select input data sets by using a combination of mutual information, genetic algorithms, and lag analysis, and then use the selected data sets in a Multilayer Perceptron network architecture to simulate seasonal groundwater level change. As expected, model results suggest that irrigation demand has the highest influence on groundwater level change for a majority of the wells. The subset of groundwater observations not used in model training or cross-validation correlates strongly (R > 0.8) with model results for 88 and 83% of the wells in the HPA and MRVA, respectively. In both aquifer systems, the error in the modeled cumulative groundwater level change during testing (2003-2012) was less than 2 m over a majority of the area. We conclude that our modeling framework can serve as an alternative approach to simulating groundwater level change and water availability, especially in regions where subsurface properties are unknown.

  11. The use of machine learning algorithms to design a generalized simplified denitrification model

    Science.gov (United States)

    Oehler, F.; Rutherford, J. C.; Coco, G.

    2010-10-01

    We propose to use machine learning (ML) algorithms to design a simplified denitrification model. Boosted regression trees (BRT) and artificial neural networks (ANN) were used to analyse the relationships and the relative influences of different input variables towards total denitrification, and an ANN was designed as a simplified model to simulate total nitrogen emissions from the denitrification process. To calibrate the BRT and ANN models and test this method, we used a database obtained collating datasets from the literature. We used bootstrapping to compute confidence intervals for the calibration and validation process. Both ML algorithms clearly outperformed a commonly used simplified model of nitrogen emissions, NEMIS, which is based on denitrification potential, temperature, soil water content and nitrate concentration. The ML models used soil organic matter % in place of a denitrification potential and pH as a fifth input variable. The BRT analysis reaffirms the importance of temperature, soil water content and nitrate concentration. Generalization, although limited to the data space of the database used to build the ML models, could be improved if pH is used to differentiate between soil types. Further improvements in model performance and generalization could be achieved by adding more data.

  12. Hidden Markov models and other machine learning approaches in computational molecular biology

    Energy Technology Data Exchange (ETDEWEB)

    Baldi, P. [California Inst. of Tech., Pasadena, CA (United States)

    1995-12-31

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. Computational tools are increasingly needed to process the massive amounts of data, to organize and classify sequences, to detect weak similarities, to separate coding from non-coding regions, and reconstruct the underlying evolutionary history. The fundamental problem in machine learning is the same as in scientific reasoning in general, as well as statistical modeling: to come up with a good model for the data. In this tutorial four classes of models are reviewed. They are: Hidden Markov models; artificial Neural Networks; Belief Networks; and Stochastic Grammars. When dealing with DNA and protein primary sequences, Hidden Markov models are one of the most flexible and powerful alignments and data base searches. In this tutorial, attention is focused on the theory of Hidden Markov Models, and how to apply them to problems in molecular biology.

  13. The use of machine learning algorithms to design a generalized simplified denitrification model

    Directory of Open Access Journals (Sweden)

    F. Oehler

    2010-04-01

    Full Text Available We designed generalized simplified models using machine learning algorithms (ML to assess denitrification at the catchment scale. In particular, we designed an artificial neural network (ANN to simulate total nitrogen emissions from the denitrification process. Boosted regression trees (BRT, another ML was also used to analyse the relationships and the relative influences of different input variables towards total denitrification. To calibrate the ANN and BRT models, we used a large database obtained by collating datasets from the literature. We developed a simple methodology to give confidence intervals for the calibration and validation process. Both ML algorithms clearly outperformed a commonly used simplified model of nitrogen emissions, NEMIS. NEMIS is based on denitrification potential, temperature, soil water content and nitrate concentration. The ML models used soil organic matter % in place of a denitrification potential and pH as a fifth input variable. The BRT analysis reaffirms the importance of temperature, soil water content and nitrate concentration. Generality of the ANN model may also be improved if pH is used to differentiate between soil types. Further improvements in model performance can be achieved by lessening dataset effects.

  14. Archetypal Analysis for Machine Learning

    DEFF Research Database (Denmark)

    Mørup, Morten; Hansen, Lars Kai

    2010-01-01

    Archetypal analysis (AA) proposed by Cutler and Breiman in [1] estimates the principal convex hull of a data set. As such AA favors features that constitute representative ’corners’ of the data, i.e. distinct aspects or archetypes. We will show that AA enjoys the interpretability of clustering - ...... for K-means [2]. We demonstrate that the AA model is relevant for feature extraction and dimensional reduction for a large variety of machine learning problems taken from computer vision, neuroimaging, text mining and collaborative filtering....

  15. A Combination of Machine Learning and Cerebellar Models for the Motor Control and Learning of a Modular Robot

    DEFF Research Database (Denmark)

    Baira Ojeda, Ismael; Tolu, Silvia; Pacheco, Moises

    2017-01-01

    We scaled up a bio-inspired control architecture for the motor control and motor learning of a real modular robot. In our approach, the Locally Weighted Projection Regression algorithm (LWPR) and a cerebellar microcircuit coexist, forming a Unit Learning Machine. The LWPR optimizes the input spac...

  16. Machine learning in virtual screening.

    Science.gov (United States)

    Melville, James L; Burke, Edmund K; Hirst, Jonathan D

    2009-05-01

    In this review, we highlight recent applications of machine learning to virtual screening, focusing on the use of supervised techniques to train statistical learning algorithms to prioritize databases of molecules as active against a particular protein target. Both ligand-based similarity searching and structure-based docking have benefited from machine learning algorithms, including naïve Bayesian classifiers, support vector machines, neural networks, and decision trees, as well as more traditional regression techniques. Effective application of these methodologies requires an appreciation of data preparation, validation, optimization, and search methodologies, and we also survey developments in these areas.

  17. A Machine Learning based Efficient Software Reusability Prediction Model for Java Based Object Oriented Software

    Directory of Open Access Journals (Sweden)

    Surbhi Maggo

    2014-01-01

    Full Text Available Software reuse refers to the development of new software systems with the likelihood of completely or partially using existing components or resources with or without modification. Reusability is the measure of the ease with which previously acquired concepts and objects can be used in new contexts. It is a promising strategy for improvements in software quality, productivity and maintainability as it provides for cost effective, reliable (with the consideration that prior testing and use has eliminated bugs and accelerated (reduced time to market development of the software products. In this paper we present an efficient automation model for the identification and evaluation of reusable software components to measure the reusability levels (high, medium or low of procedure oriented Java based (object oriented software systems. The presented model uses a metric framework for the functional analysis of the Object oriented software components that target essential attributes of reusability analysis also taking into consideration Maintainability Index to account for partial reuse. Further machine learning algorithm LMNN is explored to establish relationships between the functional attributes. The model works at functional level rather than at structural level. The system is implemented as a tool in Java and the performance of the automation tool developed is recorded using criteria like precision, recall, accuracy and error rate. The results gathered indicate that the model can be effectively used as an efficient, accurate, fast and economic model for the identification of procedure based reusable components from the existing inventory of software resources.

  18. Semi-supervised Machine Learning for Analysis of Hydrogeochemical Data and Models

    Science.gov (United States)

    Vesselinov, Velimir; O'Malley, Daniel; Alexandrov, Boian; Moore, Bryan

    2017-04-01

    Data- and model-based analyses such as uncertainty quantification, sensitivity analysis, and decision support using complex physics models with numerous model parameters and typically require a huge number of model evaluations (on order of 10^6). Furthermore, model simulations of complex physics may require substantial computational time. For example, accounting for simultaneously occurring physical processes such as fluid flow and biogeochemical reactions in heterogeneous porous medium may require several hours of wall-clock computational time. To address these issues, we have developed a novel methodology for semi-supervised machine learning based on Non-negative Matrix Factorization (NMF) coupled with customized k-means clustering. The algorithm allows for automated, robust Blind Source Separation (BSS) of groundwater types (contamination sources) based on model-free analyses of observed hydrogeochemical data. We have also developed reduced order modeling tools, which coupling support vector regression (SVR), genetic algorithms (GA) and artificial and convolutional neural network (ANN/CNN). SVR is applied to predict the model behavior within prior uncertainty ranges associated with the model parameters. ANN and CNN procedures are applied to upscale heterogeneity of the porous medium. In the upscaling process, fine-scale high-resolution models of heterogeneity are applied to inform coarse-resolution models which have improved computational efficiency while capturing the impact of fine-scale effects at the course scale of interest. These techniques are tested independently on a series of synthetic problems. We also present a decision analysis related to contaminant remediation where the developed reduced order models are applied to reproduce groundwater flow and contaminant transport in a synthetic heterogeneous aquifer. The tools are coded in Julia and are a part of the MADS high-performance computational framework (https://github.com/madsjulia/Mads.jl).

  19. Coupling machine learning with mechanistic models to study runoff production and river flow at the hillslope scale

    Science.gov (United States)

    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.

  20. Using machine learning tools to model complex toxic interactions with limited sampling regimes.

    Science.gov (United States)

    Bertin, Matthew J; Moeller, Peter; Guillette, Louis J; Chapman, Robert W

    2013-03-19

    A major impediment to understanding the impact of environmental stress, including toxins and other pollutants, on organisms, is that organisms are rarely challenged by one or a few stressors in natural systems. Thus, linking laboratory experiments that are limited by practical considerations to a few stressors and a few levels of these stressors to real world conditions is constrained. In addition, while the existence of complex interactions among stressors can be identified by current statistical methods, these methods do not provide a means to construct mathematical models of these interactions. In this paper, we offer a two-step process by which complex interactions of stressors on biological systems can be modeled in an experimental design that is within the limits of practicality. We begin with the notion that environment conditions circumscribe an n-dimensional hyperspace within which biological processes or end points are embedded. We then randomly sample this hyperspace to establish experimental conditions that span the range of the relevant parameters and conduct the experiment(s) based upon these selected conditions. Models of the complex interactions of the parameters are then extracted using machine learning tools, specifically artificial neural networks. This approach can rapidly generate highly accurate models of biological responses to complex interactions among environmentally relevant toxins, identify critical subspaces where nonlinear responses exist, and provide an expedient means of designing traditional experiments to test the impact of complex mixtures on biological responses. Further, this can be accomplished with an astonishingly small sample size.

  1. Machine Learning examples on Invenio

    CERN Document Server

    CERN. Geneva

    2017-01-01

    This talk will present the different Machine Learning tools that the INSPIRE is developing and integrating in order to automatize as much as possible content selection and curation in a subject based repository.

  2. Machine learning for healthcare technologies

    CERN Document Server

    Clifton, David A

    2016-01-01

    This book brings together chapters on the state-of-the-art in machine learning (ML) as it applies to the development of patient-centred technologies, with a special emphasis on 'big data' and mobile data.

  3. Scikit-learn: Machine Learning in Python

    OpenAIRE

    Pedregosa, Fabian; Varoquaux, Gaël; Gramfort, Alexandre; Michel, Vincent; Thirion, Bertrand; Grisel, Olivier; Blondel, Mathieu; Prettenhofer, Peter; Weiss, Ron; Dubourg, Vincent; Vanderplas, Jake; Passos, Alexandre; Cournapeau, David; Brucher, Matthieu; Perrot, Matthieu

    2011-01-01

    International audience; Scikit-learn is a Python module integrating a wide range of state-of-the-art machine learning algorithms for medium-scale supervised and unsupervised problems. This package focuses on bringing machine learning to non-specialists using a general-purpose high-level language. Emphasis is put on ease of use, performance, documentation, and API consistency. It has minimal dependencies and is distributed under the simplified BSD license, encouraging its use in both academic ...

  4. An unsupervised machine learning model for discovering latent infectious diseases using social media data.

    Science.gov (United States)

    Lim, Sunghoon; Tucker, Conrad S; Kumara, Soundar

    2017-02-01

    The authors of this work propose an unsupervised machine learning model that has the ability to identify real-world latent infectious diseases by mining social media data. In this study, a latent infectious disease is defined as a communicable disease that has not yet been formalized by national public health institutes and explicitly communicated to the general public. Most existing approaches to modeling infectious-disease-related knowledge discovery through social media networks are top-down approaches that are based on already known information, such as the names of diseases and their symptoms. In existing top-down approaches, necessary but unknown information, such as disease names and symptoms, is mostly unidentified in social media data until national public health institutes have formalized that disease. Most of the formalizing processes for latent infectious diseases are time consuming. Therefore, this study presents a bottom-up approach for latent infectious disease discovery in a given location without prior information, such as disease names and related symptoms. Social media messages with user and temporal information are extracted during the data preprocessing stage. An unsupervised sentiment analysis model is then presented. Users' expressions about symptoms, body parts, and pain locations are also identified from social media data. Then, symptom weighting vectors for each individual and time period are created, based on their sentiment and social media expressions. Finally, latent-infectious-disease-related information is retrieved from individuals' symptom weighting vectors. Twitter data from August 2012 to May 2013 are used to validate this study. Real electronic medical records for 104 individuals, who were diagnosed with influenza in the same period, are used to serve as ground truth validation. The results are promising, with the highest precision, recall, and F1 score values of 0.773, 0.680, and 0.724, respectively. This work uses individuals

  5. Heterogeneous versus Homogeneous Machine Learning Ensembles

    Directory of Open Access Journals (Sweden)

    Petrakova Aleksandra

    2015-12-01

    Full Text Available The research demonstrates efficiency of the heterogeneous model ensemble application for a cancer diagnostic procedure. Machine learning methods used for the ensemble model training are neural networks, random forest, support vector machine and offspring selection genetic algorithm. Training of models and the ensemble design is performed by means of HeuristicLab software. The data used in the research have been provided by the General Hospital of Linz, Austria.

  6. Machine learning methods for planning

    CERN Document Server

    Minton, Steven

    1993-01-01

    Machine Learning Methods for Planning provides information pertinent to learning methods for planning and scheduling. This book covers a wide variety of learning methods and learning architectures, including analogical, case-based, decision-tree, explanation-based, and reinforcement learning.Organized into 15 chapters, this book begins with an overview of planning and scheduling and describes some representative learning systems that have been developed for these tasks. This text then describes a learning apprentice for calendar management. Other chapters consider the problem of temporal credi

  7. Learning with Support Vector Machines

    CERN Document Server

    Campbell, Colin

    2010-01-01

    Support Vectors Machines have become a well established tool within machine learning. They work well in practice and have now been used across a wide range of applications from recognizing hand-written digits, to face identification, text categorisation, bioinformatics, and database marketing. In this book we give an introductory overview of this subject. We start with a simple Support Vector Machine for performing binary classification before considering multi-class classification and learning in the presence of noise. We show that this framework can be extended to many other scenarios such a

  8. A survey of supervised machine learning models for mobile-phone based pathogen identification and classification

    Science.gov (United States)

    Ceylan Koydemir, Hatice; Feng, Steve; Liang, Kyle; Nadkarni, Rohan; Tseng, Derek; Benien, Parul; Ozcan, Aydogan

    2017-03-01

    Giardia lamblia causes a disease known as giardiasis, which results in diarrhea, abdominal cramps, and bloating. Although conventional pathogen detection methods used in water analysis laboratories offer high sensitivity and specificity, they are time consuming, and need experts to operate bulky equipment and analyze the samples. Here we present a field-portable and cost-effective smartphone-based waterborne pathogen detection platform that can automatically classify Giardia cysts using machine learning. Our platform enables the detection and quantification of Giardia cysts in one hour, including sample collection, labeling, filtration, and automated counting steps. We evaluated the performance of three prototypes using Giardia-spiked water samples from different sources (e.g., reagent-grade, tap, non-potable, and pond water samples). We populated a training database with >30,000 cysts and estimated our detection sensitivity and specificity using 20 different classifier models, including decision trees, nearest neighbor classifiers, support vector machines (SVMs), and ensemble classifiers, and compared their speed of training and classification, as well as predicted accuracies. Among them, cubic SVM, medium Gaussian SVM, and bagged-trees were the most promising classifier types with accuracies of 94.1%, 94.2%, and 95%, respectively; we selected the latter as our preferred classifier for the detection and enumeration of Giardia cysts that are imaged using our mobile-phone fluorescence microscope. Without the need for any experts or microbiologists, this field-portable pathogen detection platform can present a useful tool for water quality monitoring in resource-limited-settings.

  9. Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

    Science.gov (United States)

    Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

    2017-07-01

    While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

  10. Prediction of Aerosol Optical Depth in West Asia: Machine Learning Methods versus Numerical Models

    Science.gov (United States)

    Omid Nabavi, Seyed; Haimberger, Leopold; Abbasi, Reyhaneh; Samimi, Cyrus

    2017-04-01

    Dust-prone areas of West Asia are releasing increasingly large amounts of dust particles during warm months. Because of the lack of ground-based observations in the region, this phenomenon is mainly monitored through remotely sensed aerosol products. The recent development of mesoscale Numerical Models (NMs) has offered an unprecedented opportunity to predict dust emission, and, subsequently Aerosol Optical Depth (AOD), at finer spatial and temporal resolutions. Nevertheless, the significant uncertainties in input data and simulations of dust activation and transport limit the performance of numerical models in dust prediction. The presented study aims to evaluate if machine-learning algorithms (MLAs), which require much less computational expense, can yield the same or even better performance than NMs. Deep blue (DB) AOD, which is observed by satellites but also predicted by MLAs and NMs, is used for validation. We concentrate our evaluations on the over dry Iraq plains, known as the main origin of recently intensified dust storms in West Asia. Here we examine the performance of four MLAs including Linear regression Model (LM), Support Vector Machine (SVM), Artificial Neural Network (ANN), Multivariate Adaptive Regression Splines (MARS). The Weather Research and Forecasting model coupled to Chemistry (WRF-Chem) and the Dust REgional Atmosphere Model (DREAM) are included as NMs. The MACC aerosol re-analysis of European Centre for Medium-range Weather Forecast (ECMWF) is also included, although it has assimilated satellite-based AOD data. Using the Recursive Feature Elimination (RFE) method, nine environmental features including soil moisture and temperature, NDVI, dust source function, albedo, dust uplift potential, vertical velocity, precipitation and 9-month SPEI drought index are selected for dust (AOD) modeling by MLAs. During the feature selection process, we noticed that NDVI and SPEI are of the highest importance in MLAs predictions. The data set was divided

  11. Machine Learning Phases of Strongly Correlated Fermions

    Directory of Open Access Journals (Sweden)

    Kelvin Ch’ng

    2017-08-01

    Full Text Available Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated fermions on cubic lattices. We show that a three-dimensional convolutional network trained on auxiliary field configurations produced by quantum Monte Carlo simulations of the Hubbard model can correctly predict the magnetic phase diagram of the model at the average density of one (half filling. We then use the network, trained at half filling, to explore the trend in the transition temperature as the system is doped away from half filling. This transfer learning approach predicts that the instability to the magnetic phase extends to at least 5% doping in this region. Our results pave the way for other machine learning applications in correlated quantum many-body systems.

  12. Machine Learning Phases of Strongly Correlated Fermions

    Science.gov (United States)

    Ch'ng, Kelvin; Carrasquilla, Juan; Melko, Roger G.; Khatami, Ehsan

    2017-07-01

    Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated fermions on cubic lattices. We show that a three-dimensional convolutional network trained on auxiliary field configurations produced by quantum Monte Carlo simulations of the Hubbard model can correctly predict the magnetic phase diagram of the model at the average density of one (half filling). We then use the network, trained at half filling, to explore the trend in the transition temperature as the system is doped away from half filling. This transfer learning approach predicts that the instability to the magnetic phase extends to at least 5% doping in this region. Our results pave the way for other machine learning applications in correlated quantum many-body systems.

  13. Prediction of chronic damage in systemic lupus erythematosus by using machine-learning models

    Science.gov (United States)

    Perricone, Carlo; Galvan, Giulio; Morelli, Francesco; Vicente, Luis Nunes; Leccese, Ilaria; Massaro, Laura; Cipriano, Enrica; Spinelli, Francesca Romana; Alessandri, Cristiano; Valesini, Guido; Conti, Fabrizio

    2017-01-01

    Objective The increased survival in Systemic Lupus Erythematosus (SLE) patients implies the development of chronic damage, occurring in up to 50% of cases. Its prevention is a major goal in the SLE management. We aimed at predicting chronic damage in a large monocentric SLE cohort by using neural networks. Methods We enrolled 413 SLE patients (M/F 30/383; mean age ± SD 46.3±11.9 years; mean disease duration ± SD 174.6 ± 112.1 months). Chronic damage was assessed by the SLICC/ACR Damage Index (SDI). We applied Recurrent Neural Networks (RNNs) as a machine-learning model to predict the risk of chronic damage. The clinical data sequences registered for each patient during the follow-up were used for building and testing the RNNs. Results At the first visit in the Lupus Clinic, 35.8% of patients had an SDI≥1. For the RNN model, two groups of patients were analyzed: patients with SDI = 0 at the baseline, developing damage during the follow-up (N = 38), and patients without damage (SDI = 0). We created a mathematical model with an AUC value of 0.77, able to predict damage development. A threshold value of 0.35 (sensitivity 0.74, specificity 0.76) seemed able to identify patients at risk to develop damage. Conclusion We applied RNNs to identify a prediction model for SLE chronic damage. The use of the longitudinal data from the Sapienza Lupus Cohort, including laboratory and clinical items, resulted able to construct a mathematical model, potentially identifying patients at risk to develop damage. PMID:28329014

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

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Siyuan; Hwang, Youngdeok; Khabibrakhmanov, Ildar; Marianno, Fernando J.; Shao, Xiaoyan; Zhang, Jie; Hodge, Bri-Mathias; Hamann, Hendrik F.

    2015-07-15

    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 model 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.

  15. Comparison of machine-learning algorithms to build a predictive model for detecting undiagnosed diabetes - ELSA-Brasil: accuracy study.

    Science.gov (United States)

    Olivera, André Rodrigues; Roesler, Valter; Iochpe, Cirano; Schmidt, Maria Inês; Vigo, Álvaro; Barreto, Sandhi Maria; Duncan, Bruce Bartholow

    2017-01-01

    Type 2 diabetes is a chronic disease associated with a wide range of serious health complications that have a major impact on overall health. The aims here were to develop and validate predictive models for detecting undiagnosed diabetes using data from the Longitudinal Study of Adult Health (ELSA-Brasil) and to compare the performance of different machine-learning algorithms in this task. Comparison of machine-learning algorithms to develop predictive models using data from ELSA-Brasil. After selecting a subset of 27 candidate variables from the literature, models were built and validated in four sequential steps: (i) parameter tuning with tenfold cross-validation, repeated three times; (ii) automatic variable selection using forward selection, a wrapper strategy with four different machine-learning algorithms and tenfold cross-validation (repeated three times), to evaluate each subset of variables; (iii) error estimation of model parameters with tenfold cross-validation, repeated ten times; and (iv) generalization testing on an independent dataset. The models were created with the following machine-learning algorithms: logistic regression, artificial neural network, naïve Bayes, K-nearest neighbor and random forest. The best models were created using artificial neural networks and logistic regression. -These achieved mean areas under the curve of, respectively, 75.24% and 74.98% in the error estimation step and 74.17% and 74.41% in the generalization testing step. Most of the predictive models produced similar results, and demonstrated the feasibility of identifying individuals with highest probability of having undiagnosed diabetes, through easily-obtained clinical data.

  16. A Hybrid Short-Term Traffic Flow Prediction Model Based on Singular Spectrum Analysis and Kernel Extreme Learning Machine.

    Science.gov (United States)

    Shang, Qiang; Lin, Ciyun; Yang, Zhaosheng; Bing, Qichun; Zhou, Xiyang

    2016-01-01

    Short-term traffic flow prediction is one of the most important issues in the field of intelligent transport system (ITS). Because of the uncertainty and nonlinearity, short-term traffic flow prediction is a challenging task. In order to improve the accuracy of short-time traffic flow prediction, a hybrid model (SSA-KELM) is proposed based on singular spectrum analysis (SSA) and kernel extreme learning machine (KELM). SSA is used to filter out the noise of traffic flow time series. Then, the filtered traffic flow data is used to train KELM model, the optimal input form of the proposed model is determined by phase space reconstruction, and parameters of the model are optimized by gravitational search algorithm (GSA). Finally, case validation is carried out using the measured data of an expressway in Xiamen, China. And the SSA-KELM model is compared with several well-known prediction models, including support vector machine, extreme learning machine, and single KLEM model. The experimental results demonstrate that performance of the proposed model is superior to that of the comparison models. Apart from accuracy improvement, the proposed model is more robust.

  17. Fullrmc, a rigid body Reverse Monte Carlo modeling package enabled with machine learning and artificial intelligence.

    Science.gov (United States)

    Aoun, Bachir

    2016-05-01

    A new Reverse Monte Carlo (RMC) package "fullrmc" for atomic or rigid body and molecular, amorphous, or crystalline materials is presented. fullrmc main purpose is to provide a fully modular, fast and flexible software, thoroughly documented, complex molecules enabled, written in a modern programming language (python, cython, C and C++ when performance is needed) and complying to modern programming practices. fullrmc approach in solving an atomic or molecular structure is different from existing RMC algorithms and software. In a nutshell, traditional RMC methods and software randomly adjust atom positions until the whole system has the greatest consistency with a set of experimental data. In contrast, fullrmc applies smart moves endorsed with reinforcement machine learning to groups of atoms. While fullrmc allows running traditional RMC modeling, the uniqueness of this approach resides in its ability to customize grouping atoms in any convenient way with no additional programming efforts and to apply smart and more physically meaningful moves to the defined groups of atoms. In addition, fullrmc provides a unique way with almost no additional computational cost to recur a group's selection, allowing the system to go out of local minimas by refining a group's position or exploring through and beyond not allowed positions and energy barriers the unrestricted three dimensional space around a group.

  18. Genetic Algorithms for Optimization of Machine-learning Models and their Applications in Bioinformatics

    KAUST Repository

    Magana-Mora, Arturo

    2017-04-29

    Machine-learning (ML) techniques have been widely applied to solve different problems in biology. However, biological data are large and complex, which often result in extremely intricate ML models. Frequently, these models may have a poor performance or may be computationally unfeasible. This study presents a set of novel computational methods and focuses on the application of genetic algorithms (GAs) for the simplification and optimization of ML models and their applications to biological problems. The dissertation addresses the following three challenges. The first is to develop a generalizable classification methodology able to systematically derive competitive models despite the complexity and nature of the data. Although several algorithms for the induction of classification models have been proposed, the algorithms are data dependent. Consequently, we developed OmniGA, a novel and generalizable framework that uses different classification models in a treeXlike decision structure, along with a parallel GA for the optimization of the OmniGA structure. Results show that OmniGA consistently outperformed existing commonly used classification models. The second challenge is the prediction of translation initiation sites (TIS) in plants genomic DNA. We performed a statistical analysis of the genomic DNA and proposed a new set of discriminant features for this problem. We developed a wrapper method based on GAs for selecting an optimal feature subset, which, in conjunction with a classification model, produced the most accurate framework for the recognition of TIS in plants. Finally, results demonstrate that despite the evolutionary distance between different plants, our approach successfully identified conserved genomic elements that may serve as the starting point for the development of a generic model for prediction of TIS in eukaryotic organisms. Finally, the third challenge is the accurate prediction of polyadenylation signals in human genomic DNA. To achieve

  19. Prediction of calcium-binding sites by combining loop-modeling with machine learning

    Directory of Open Access Journals (Sweden)

    Altman Russ B

    2009-12-01

    Full Text Available Abstract Background Protein ligand-binding sites in the apo state exhibit structural flexibility. This flexibility often frustrates methods for structure-based recognition of these sites because it leads to the absence of electron density for these critical regions, particularly when they are in surface loops. Methods for recognizing functional sites in these missing loops would be useful for recovering additional functional information. Results We report a hybrid approach for recognizing calcium-binding sites in disordered regions. Our approach combines loop modeling with a machine learning method (FEATURE for structure-based site recognition. For validation, we compared the performance of our method on known calcium-binding sites for which there are both holo and apo structures. When loops in the apo structures are rebuilt using modeling methods, FEATURE identifies 14 out of 20 crystallographically proven calcium-binding sites. It only recognizes 7 out of 20 calcium-binding sites in the initial apo crystal structures. We applied our method to unstructured loops in proteins from SCOP families known to bind calcium in order to discover potential cryptic calcium binding sites. We built 2745 missing loops and evaluated them for potential calcium binding. We made 102 predictions of calcium-binding sites. Ten predictions are consistent with independent experimental verifications. We found indirect experimental evidence for 14 other predictions. The remaining 78 predictions are novel predictions, some with intriguing potential biological significance. In particular, we see an enrichment of beta-sheet folds with predicted calcium binding sites in the connecting loops on the surface that may be important for calcium-mediated function switches. Conclusion Protein crystal structures are a potentially rich source of functional information. When loops are missing in these structures, we may be losing important information about binding sites and active

  20. Machine learning a Bayesian and optimization perspective

    CERN Document Server

    Theodoridis, Sergios

    2015-01-01

    This tutorial text gives a unifying perspective on machine learning by covering both probabilistic and deterministic approaches, which rely on optimization techniques, as well as Bayesian inference, which is based on a hierarchy of probabilistic models. The book presents the major machine learning methods as they have been developed in different disciplines, such as statistics, statistical and adaptive signal processing and computer science. Focusing on the physical reasoning behind the mathematics, all the various methods and techniques are explained in depth, supported by examples and problems, giving an invaluable resource to the student and researcher for understanding and applying machine learning concepts. The book builds carefully from the basic classical methods to the most recent trends, with chapters written to be as self-contained as possible, making the text suitable for different courses: pattern recognition, statistical/adaptive signal processing, statistical/Bayesian learning, as well as shor...

  1. Machine learning: Trends, perspectives, and prospects.

    Science.gov (United States)

    Jordan, M I; Mitchell, T M

    2015-07-17

    Machine learning addresses the question of how to build computers that improve automatically through experience. It is one of today's most rapidly growing technical fields, lying at the intersection of computer science and statistics, and at the core of artificial intelligence and data science. Recent progress in machine learning has been driven both by the development of new learning algorithms and theory and by the ongoing explosion in the availability of online data and low-cost computation. The adoption of data-intensive machine-learning methods can be found throughout science, technology and commerce, leading to more evidence-based decision-making across many walks of life, including health care, manufacturing, education, financial modeling, policing, and marketing.

  2. Machine Learning for Biological Trajectory Classification Applications

    Science.gov (United States)

    Sbalzarini, Ivo F.; Theriot, Julie; Koumoutsakos, Petros

    2002-01-01

    Machine-learning techniques, including clustering algorithms, support vector machines and hidden Markov models, are applied to the task of classifying trajectories of moving keratocyte cells. The different algorithms axe compared to each other as well as to expert and non-expert test persons, using concepts from signal-detection theory. The algorithms performed very well as compared to humans, suggesting a robust tool for trajectory classification in biological applications.

  3. Machine learning in motion control

    Science.gov (United States)

    Su, Renjeng; Kermiche, Noureddine

    1989-01-01

    The existing methodologies for robot programming originate primarily from robotic applications to manufacturing, where uncertainties of the robots and their task environment may be minimized by repeated off-line modeling and identification. In space application of robots, however, a higher degree of automation is required for robot programming because of the desire of minimizing the human intervention. We discuss a new paradigm of robotic programming which is based on the concept of machine learning. The goal is to let robots practice tasks by themselves and the operational data are used to automatically improve their motion performance. The underlying mathematical problem is to solve the problem of dynamical inverse by iterative methods. One of the key questions is how to ensure the convergence of the iterative process. There have been a few small steps taken into this important approach to robot programming. We give a representative result on the convergence problem.

  4. Machine learning in motion control

    Science.gov (United States)

    Su, Renjeng; Kermiche, Noureddine

    1989-01-01

    The existing methodologies for robot programming originate primarily from robotic applications to manufacturing, where uncertainties of the robots and their task environment may be minimized by repeated off-line modeling and identification. In space application of robots, however, a higher degree of automation is required for robot programming because of the desire of minimizing the human intervention. We discuss a new paradigm of robotic programming which is based on the concept of machine learning. The goal is to let robots practice tasks by themselves and the operational data are used to automatically improve their motion performance. The underlying mathematical problem is to solve the problem of dynamical inverse by iterative methods. One of the key questions is how to ensure the convergence of the iterative process. There have been a few small steps taken into this important approach to robot programming. We give a representative result on the convergence problem.

  5. Higgs Machine Learning Challenge 2014

    CERN Multimedia

    Olivier, A-P; Bourdarios, C ; LAL / Orsay; Goldfarb, S ; University of Michigan

    2014-01-01

    High Energy Physics (HEP) has been using Machine Learning (ML) techniques such as boosted decision trees (paper) and neural nets since the 90s. These techniques are now routinely used for difficult tasks such as the Higgs boson search. Nevertheless, formal connections between the two research fields are rather scarce, with some exceptions such as the AppStat group at LAL, founded in 2006. In collaboration with INRIA, AppStat promotes interdisciplinary research on machine learning, computational statistics, and high-energy particle and astroparticle physics. We are now exploring new ways to improve the cross-fertilization of the two fields by setting up a data challenge, following the footsteps of, among others, the astrophysics community (dark matter and galaxy zoo challenges) and neurobiology (connectomics and decoding the human brain). The organization committee consists of ATLAS physicists and machine learning researchers. The Challenge will run from Monday 12th to September 2014.

  6. Machine learning phases of matter

    Science.gov (United States)

    Carrasquilla, Juan; Melko, Roger G.

    2017-02-01

    Condensed-matter physics is the study of the collective behaviour of infinitely complex assemblies of electrons, nuclei, magnetic moments, atoms or qubits. This complexity is reflected in the size of the state space, which grows exponentially with the number of particles, reminiscent of the `curse of dimensionality' commonly encountered in machine learning. Despite this curse, the machine learning community has developed techniques with remarkable abilities to recognize, classify, and characterize complex sets of data. Here, we show that modern machine learning architectures, such as fully connected and convolutional neural networks, can identify phases and phase transitions in a variety of condensed-matter Hamiltonians. Readily programmable through modern software libraries, neural networks can be trained to detect multiple types of order parameter, as well as highly non-trivial states with no conventional order, directly from raw state configurations sampled with Monte Carlo.

  7. A Machine Learning Approach to Automated Negotiation

    Institute of Scientific and Technical Information of China (English)

    Zhang Huaxiang(张化祥); Zhang Liang; Huang Shangteng; Ma Fanyuan

    2004-01-01

    Automated negotiation between two competitive agents is analyzed, and a multi-issue negotiation model based on machine learning, time belief, offer belief and state-action pair expected Q value is developed. Unlike the widely used approaches such as game theory approach, heuristic approach and argumentation approach, This paper uses a machine learning method to compute agents' average Q values in each negotiation stage. The delayed reward is used to generate agents' offer and counteroffer of every issue. The effect of time and discount rate on negotiation outcome is analyzed. Theory analysis and experimental data show this negotiation model is practical.

  8. Machine Learning in Medicine

    National Research Council Canada - National Science Library

    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...

  9. Deep Extreme Learning Machine and Its Application in EEG Classification

    Directory of Open Access Journals (Sweden)

    Shifei Ding

    2015-01-01

    Full Text Available Recently, deep learning has aroused wide interest in machine learning fields. Deep learning is a multilayer perceptron artificial neural network algorithm. Deep learning has the advantage of approximating the complicated function and alleviating the optimization difficulty associated with deep models. Multilayer extreme learning machine (MLELM is a learning algorithm of an artificial neural network which takes advantages of deep learning and extreme learning machine. Not only does MLELM approximate the complicated function but it also does not need to iterate during the training process. We combining with MLELM and extreme learning machine with kernel (KELM put forward deep extreme learning machine (DELM and apply it to EEG classification in this paper. This paper focuses on the application of DELM in the classification of the visual feedback experiment, using MATLAB and the second brain-computer interface (BCI competition datasets. By simulating and analyzing the results of the experiments, effectiveness of the application of DELM in EEG classification is confirmed.

  10. Contaminant dispersion prediction and source estimation with integrated Gaussian-machine learning network model for point source emission in atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Denglong [Fuli School of Food Equipment Engineering and Science, Xi’an Jiaotong University, No.28 Xianning West Road, Xi’an 710049 (China); Zhang, Zaoxiao, E-mail: zhangzx@mail.xjtu.edu.cn [State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, No.28 Xianning West Road, Xi’an 710049 (China); School of Chemical Engineering and Technology, Xi’an Jiaotong University, No.28 Xianning West Road, Xi’an 710049 (China)

    2016-07-05

    Highlights: • The intelligent network models were built to predict contaminant gas concentrations. • The improved network models coupled with Gaussian dispersion model were presented. • New model has high efficiency and accuracy for concentration prediction. • New model were applied to indentify the leakage source with satisfied results. - Abstract: Gas dispersion model is important for predicting the gas concentrations when contaminant gas leakage occurs. Intelligent network models such as radial basis function (RBF), back propagation (BP) neural network and support vector machine (SVM) model can be used for gas dispersion prediction. However, the prediction results from these network models with too many inputs based on original monitoring parameters are not in good agreement with the experimental data. Then, a new series of machine learning algorithms (MLA) models combined classic Gaussian model with MLA algorithm has been presented. The prediction results from new models are improved greatly. Among these models, Gaussian-SVM model performs best and its computation time is close to that of classic Gaussian dispersion model. Finally, Gaussian-MLA models were applied to identifying the emission source parameters with the particle swarm optimization (PSO) method. The estimation performance of PSO with Gaussian-MLA is better than that with Gaussian, Lagrangian stochastic (LS) dispersion model and network models based on original monitoring parameters. Hence, the new prediction model based on Gaussian-MLA is potentially a good method to predict contaminant gas dispersion as well as a good forward model in emission source parameters identification problem.

  11. A Comparison of a Machine Learning Model with EuroSCORE II in Predicting Mortality after Elective Cardiac Surgery: A Decision Curve Analysis.

    Science.gov (United States)

    Allyn, Jérôme; Allou, Nicolas; Augustin, Pascal; Philip, Ivan; Martinet, Olivier; Belghiti, Myriem; Provenchere, Sophie; Montravers, Philippe; Ferdynus, Cyril

    2017-01-01

    The benefits of cardiac surgery are sometimes difficult to predict and the decision to operate on a given individual is complex. Machine Learning and Decision Curve Analysis (DCA) are recent methods developed to create and evaluate prediction models. We conducted a retrospective cohort study using a prospective collected database from December 2005 to December 2012, from a cardiac surgical center at University Hospital. The different models of prediction of mortality in-hospital after elective cardiac surgery, including EuroSCORE II, a logistic regression model and a machine learning model, were compared by ROC and DCA. Of the 6,520 patients having elective cardiac surgery with cardiopulmonary bypass, 6.3% died. Mean age was 63.4 years old (standard deviation 14.4), and mean EuroSCORE II was 3.7 (4.8) %. The area under ROC curve (IC95%) for the machine learning model (0.795 (0.755-0.834)) was significantly higher than EuroSCORE II or the logistic regression model (respectively, 0.737 (0.691-0.783) and 0.742 (0.698-0.785), p machine learning model, in this monocentric study, has a greater benefit whatever the probability threshold. According to ROC and DCA, machine learning model is more accurate in predicting mortality after elective cardiac surgery than EuroSCORE II. These results confirm the use of machine learning methods in the field of medical prediction.

  12. Machine Learning for Education: Learning to Teach

    Science.gov (United States)

    2016-12-01

    1 Machine Learning for Education: Learning to Teach Matthew C. Gombolay, Reed Jensen, Sung-Hyun Son Massachusetts Institute of Technology Lincoln...training tools and develop military strategies within their training environment. Second, we develop methods for improving warfighter education: learning to...and do not necessarily reflect the views of the Department of the Navy. RAMS # 1001485 Fig. 1. SGD enables development of automated teaching tools for

  13. Machine Learning applications in CMS

    CERN Document Server

    CERN. Geneva

    2017-01-01

    Machine Learning is used in many aspects of CMS data taking, monitoring, processing and analysis. We review a few of these use cases and the most recent developments, with an outlook to future applications in the LHC Run III and for the High-Luminosity phase.

  14. Photometric Supernova Classification With Machine Learning

    CERN Document Server

    Lochner, Michelle; Peiris, Hiranya V; Lahav, Ofer; Winter, Max K

    2016-01-01

    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 Telescope (LSST), given that spectroscopic confirmation of type for all supernovae discovered with these surveys 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 fitting 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. We test the pipeline on simulated multi-ba...

  15. Learning scikit-learn machine learning in Python

    CERN Document Server

    Garreta, Raúl

    2013-01-01

    The book adopts a tutorial-based approach to introduce the user to Scikit-learn.If you are a programmer who wants to explore machine learning and data-based methods to build intelligent applications and enhance your programming skills, this the book for you. No previous experience with machine-learning algorithms is required.

  16. BENCHMARKING MACHINE LEARNING TECHNIQUES FOR SOFTWARE DEFECT DETECTION

    Directory of Open Access Journals (Sweden)

    Saiqa Aleem

    2015-06-01

    Full Text Available Machine Learning approaches are good in solving problems that have less information. In most cases, the software domain problems characterize as a process of learning that depend on the various circumstances and changes accordingly. A predictive model is constructed by using machine learning approaches and classified them into defective and non-defective modules. Machine learning techniques help developers to retrieve useful information after the classification and enable them to analyse data from different perspectives. Machine learning techniques are proven to be useful in terms of software bug prediction. This study used public available data sets of software modules and provides comparative performance analysis of different machine learning techniques for software bug prediction. Results showed most of the machine learning methods performed well on software bug datasets.

  17. Supporting visual quality assessment with machine learning

    NARCIS (Netherlands)

    Gastaldo, P.; Zunino, R.; Redi, J.

    2013-01-01

    Objective metrics for visual quality assessment often base their reliability on the explicit modeling of the highly non-linear behavior of human perception; as a result, they may be complex and computationally expensive. Conversely, machine learning (ML) paradigms allow to tackle the quality

  18. Machine learning an artificial intelligence approach

    CERN Document Server

    Banerjee, R; Bradshaw, Gary; Carbonell, Jaime Guillermo; Mitchell, Tom Michael; Michalski, Ryszard Spencer

    1983-01-01

    Machine Learning: An Artificial Intelligence Approach contains tutorial overviews and research papers representative of trends in the area of machine learning as viewed from an artificial intelligence perspective. The book is organized into six parts. Part I provides an overview of machine learning and explains why machines should learn. Part II covers important issues affecting the design of learning programs-particularly programs that learn from examples. It also describes inductive learning systems. Part III deals with learning by analogy, by experimentation, and from experience. Parts IV a

  19. A hybrid machine learning model to estimate nitrate contamination of production zone groundwater in the Central Valley, California

    Science.gov (United States)

    Ransom, K.; Nolan, B. T.; Faunt, C. C.; Bell, A.; Gronberg, J.; Traum, J.; Wheeler, D. C.; Rosecrans, C.; Belitz, K.; Eberts, S.; Harter, T.

    2016-12-01

    A hybrid, non-linear, machine learning statistical model was developed within a statistical learning framework to predict nitrate contamination of groundwater to depths of approximately 500 m below ground surface in the Central Valley, California. A database of 213 predictor variables representing well characteristics, historical and current field and county scale nitrogen mass balance, historical and current landuse, oxidation/reduction conditions, groundwater flow, climate, soil characteristics, depth to groundwater, and groundwater age were assigned to over 6,000 private supply and public supply wells measured previously for nitrate and located throughout the study area. The machine learning method, gradient boosting machine (GBM) was used to screen predictor variables and rank them in order of importance in relation to the groundwater nitrate measurements. The top five most important predictor variables included oxidation/reduction characteristics, historical field scale nitrogen mass balance, climate, and depth to 60 year old water. Twenty-two variables were selected for the final model and final model errors for log-transformed hold-out data were R squared of 0.45 and root mean square error (RMSE) of 1.124. Modeled mean groundwater age was tested separately for error improvement in the model and when included decreased model RMSE by 0.5% compared to the same model without age and by 0.20% compared to the model with all 213 variables. 1D and 2D partial plots were examined to determine how variables behave individually and interact in the model. Some variables behaved as expected: log nitrate decreased with increasing probability of anoxic conditions and depth to 60 year old water, generally decreased with increasing natural landuse surrounding wells and increasing mean groundwater age, generally increased with increased minimum depth to high water table and with increased base flow index value. Other variables exhibited much more erratic or noisy behavior in

  20. Machine learning a probabilistic perspective

    CERN Document Server

    Murphy, Kevin P

    2012-01-01

    Today's Web-enabled deluge of electronic data calls for automated methods of data analysis. Machine learning provides these, developing methods that can automatically detect patterns in data and then use the uncovered patterns to predict future data. This textbook offers a comprehensive and self-contained introduction to the field of machine learning, based on a unified, probabilistic approach. The coverage combines breadth and depth, offering necessary background material on such topics as probability, optimization, and linear algebra as well as discussion of recent developments in the field, including conditional random fields, L1 regularization, and deep learning. The book is written in an informal, accessible style, complete with pseudo-code for the most important algorithms. All topics are copiously illustrated with color images and worked examples drawn from such application domains as biology, text processing, computer vision, and robotics. Rather than providing a cookbook of different heuristic method...

  1. Contaminant dispersion prediction and source estimation with integrated Gaussian-machine learning network model for point source emission in atmosphere.

    Science.gov (United States)

    Ma, Denglong; Zhang, Zaoxiao

    2016-07-05

    Gas dispersion model is important for predicting the gas concentrations when contaminant gas leakage occurs. Intelligent network models such as radial basis function (RBF), back propagation (BP) neural network and support vector machine (SVM) model can be used for gas dispersion prediction. However, the prediction results from these network models with too many inputs based on original monitoring parameters are not in good agreement with the experimental data. Then, a new series of machine learning algorithms (MLA) models combined classic Gaussian model with MLA algorithm has been presented. The prediction results from new models are improved greatly. Among these models, Gaussian-SVM model performs best and its computation time is close to that of classic Gaussian dispersion model. Finally, Gaussian-MLA models were applied to identifying the emission source parameters with the particle swarm optimization (PSO) method. The estimation performance of PSO with Gaussian-MLA is better than that with Gaussian, Lagrangian stochastic (LS) dispersion model and network models based on original monitoring parameters. Hence, the new prediction model based on Gaussian-MLA is potentially a good method to predict contaminant gas dispersion as well as a good forward model in emission source parameters identification problem.

  2. A Multi-scale, Multi-Model, Machine-Learning Solar Forecasting Technology”

    Energy Technology Data Exchange (ETDEWEB)

    Hamann, Hendrik

    2017-05-31

    The goal of the project was the development and demonstration of a significantly improved solar forecasting technology (short: Watt-sun), which leverages new big data processing technologies and machine-learnt blending between different models and forecast systems. The technology aimed demonstrating major advances in accuracy as measured by existing and new metrics which themselves were developed as part of this project. Finally, the team worked with Independent System Operators (ISOs) and utilities to integrate the forecasts into their operations.

  3. Predicting Networked Strategic Behavior via Machine Learning and Game Theory

    Science.gov (United States)

    2015-01-13

    Report: Predicting Networked Strategic Behavior via Machine Learning and Game Theory The views, opinions and/or findings contained in this report...2211 machine learning, game theory , microeconomics, behavioral data REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10. SPONSOR...Strategic Behavior via Machine Learning and Game Theory Report Title The funding for this project was used to develop basic models, methodology

  4. Performance of machine learning methods for classification tasks

    OpenAIRE

    B. Krithika; Dr. V. Ramalingam; Rajan, K

    2013-01-01

    In this paper, the performance of various machine learning methods on pattern classification and recognition tasks are proposed. The proposed method for evaluating performance will be based on the feature representation, feature selection and setting model parameters. The nature of the data, the methods of feature extraction and feature representation are discussed. The results of the Machine Learning algorithms on the classification task are analysed. The performance of Machine Learning meth...

  5. Machine learning-based kinetic modeling: a robust and reproducible solution for quantitative analysis of dynamic PET data.

    Science.gov (United States)

    Pan, Leyun; Cheng, Caixia; Haberkorn, Uwe; Dimitrakopoulou-Strauss, Antonia

    2017-05-07

    A variety of compartment models are used for the quantitative analysis of dynamic positron emission tomography (PET) data. Traditionally, these models use an iterative fitting (IF) method to find the least squares between the measured and calculated values over time, which may encounter some problems such as the overfitting of model parameters and a lack of reproducibility, especially when handling noisy data or error data. In this paper, a machine learning (ML) based kinetic modeling method is introduced, which can fully utilize a historical reference database to build a moderate kinetic model directly dealing with noisy data but not trying to smooth the noise in the image. Also, due to the database, the presented method is capable of automatically adjusting the models using a multi-thread grid parameter searching technique. Furthermore, a candidate competition concept is proposed to combine the advantages of the ML and IF modeling methods, which could find a balance between fitting to historical data and to the unseen target curve. The machine learning based method provides a robust and reproducible solution that is user-independent for VOI-based and pixel-wise quantitative analysis of dynamic PET data.

  6. Machine learning-based kinetic modeling: a robust and reproducible solution for quantitative analysis of dynamic PET data

    Science.gov (United States)

    Pan, Leyun; Cheng, Caixia; Haberkorn, Uwe; Dimitrakopoulou-Strauss, Antonia

    2017-05-01

    A variety of compartment models are used for the quantitative analysis of dynamic positron emission tomography (PET) data. Traditionally, these models use an iterative fitting (IF) method to find the least squares between the measured and calculated values over time, which may encounter some problems such as the overfitting of model parameters and a lack of reproducibility, especially when handling noisy data or error data. In this paper, a machine learning (ML) based kinetic modeling method is introduced, which can fully utilize a historical reference database to build a moderate kinetic model directly dealing with noisy data but not trying to smooth the noise in the image. Also, due to the database, the presented method is capable of automatically adjusting the models using a multi-thread grid parameter searching technique. Furthermore, a candidate competition concept is proposed to combine the advantages of the ML and IF modeling methods, which could find a balance between fitting to historical data and to the unseen target curve. The machine learning based method provides a robust and reproducible solution that is user-independent for VOI-based and pixel-wise quantitative analysis of dynamic PET data.

  7. Machine Learning for Neuroimaging with Scikit-Learn

    Directory of Open Access Journals (Sweden)

    Alexandre eAbraham

    2014-02-01

    Full Text Available Statistical machine learning methods are increasingly used for neuroimaging data analysis. Their main virtue is their ability to model high-dimensional datasets, e.g. multivariate analysis of activation images or resting-state time series. Supervised learning is typically used in decoding or encoding settings to relate brain images to behavioral or clinical observations, while unsupervised learning can uncover hidden structures in sets of images (e.g. resting state functional MRI or find sub-populations in large cohorts. By considering different functional neuroimaging applications, we illustrate how scikit-learn, a Python machine learning library, can be used to perform some key analysis steps. Scikit-learn contains a very large set of statistical learning algorithms, both supervised and unsupervised, and its application to neuroimaging data provides a versatile tool to study the brain.

  8. Machine learning for neuroimaging with scikit-learn.

    Science.gov (United States)

    Abraham, Alexandre; Pedregosa, Fabian; Eickenberg, Michael; Gervais, Philippe; Mueller, Andreas; Kossaifi, Jean; Gramfort, Alexandre; Thirion, Bertrand; Varoquaux, Gaël

    2014-01-01

    Statistical machine learning methods are increasingly used for neuroimaging data analysis. Their main virtue is their ability to model high-dimensional datasets, e.g., multivariate analysis of activation images or resting-state time series. Supervised learning is typically used in decoding or encoding settings to relate brain images to behavioral or clinical observations, while unsupervised learning can uncover hidden structures in sets of images (e.g., resting state functional MRI) or find sub-populations in large cohorts. By considering different functional neuroimaging applications, we illustrate how scikit-learn, a Python machine learning library, can be used to perform some key analysis steps. Scikit-learn contains a very large set of statistical learning algorithms, both supervised and unsupervised, and its application to neuroimaging data provides a versatile tool to study the brain.

  9. Machine Learning and Cosmological Simulations

    Science.gov (United States)

    Kamdar, Harshil; Turk, Matthew; Brunner, Robert

    2016-01-01

    We explore the application of machine learning (ML) to the problem of galaxy formation and evolution in a hierarchical universe. Our motivations are two-fold: (1) presenting a new, promising technique to study galaxy formation, and (2) quantitatively evaluating the extent of the influence of dark matter halo properties on small-scale structure formation. For our analyses, we use both semi-analytical models (Millennium simulation) and N-body + hydrodynamical simulations (Illustris simulation). The ML algorithms are trained on important dark matter halo properties (inputs) and galaxy properties (outputs). The trained models are able to robustly predict the gas mass, stellar mass, black hole mass, star formation rate, $g-r$ color, and stellar metallicity. Moreover, the ML simulated galaxies obey fundamental observational constraints implying that the population of ML predicted galaxies is physically and statistically robust. Next, ML algorithms are trained on an N-body + hydrodynamical simulation and applied to an N-body only simulation (Dark Sky simulation, Illustris Dark), populating this new simulation with galaxies. We can examine how structure formation changes with different cosmological parameters and are able to mimic a full-blown hydrodynamical simulation in a computation time that is orders of magnitude smaller. We find that the set of ML simulated galaxies in Dark Sky obey the same observational constraints, further solidifying ML's place as an intriguing and promising technique in future galaxy formation studies and rapid mock galaxy catalog creation.

  10. Metaheuristic and Machine Learning Models for TFE-731-2, PW4056, and JT8D-9 Cruise Thrust

    Science.gov (United States)

    Baklacioglu, Tolga

    2017-08-01

    The requirement for an accurate engine thrust model has a major antecedence in airline fuel saving programs, assessment of environmental effects of fuel consumption, emissions reduction studies, and air traffic management applications. In this study, utilizing engine manufacturers' real data, a metaheuristic model based on genetic algorithms (GAs) and a machine learning model based on neural networks (NNs) trained with Levenberg-Marquardt (LM), delta-bar-delta (DBD), and conjugate gradient (CG) algorithms were accomplished to incorporate the effect of both flight altitude and Mach number in the estimation of thrust. For the GA model, the analysis of population size impact on the model's accuracy and effect of number of data on model coefficients were also performed. For the NN model, design of optimum topology was searched for one- and two-hidden-layer networks. Predicted thrust values presented a close agreement with real thrust data for both models, among which LM trained NNs gave the best accuracies.

  11. Machine learning: novel bioinformatics approaches for combating antimicrobial resistance.

    Science.gov (United States)

    Macesic, Nenad; Polubriaginof, Fernanda; Tatonetti, Nicholas P

    2017-09-12

    Antimicrobial resistance (AMR) is a threat to global health and new approaches to combating AMR are needed. Use of machine learning in addressing AMR is in its infancy but has made promising steps. We reviewed the current literature on the use of machine learning for studying bacterial AMR. The advent of large-scale data sets provided by next-generation sequencing and electronic health records make applying machine learning to the study and treatment of AMR possible. To date, it has been used for antimicrobial susceptibility genotype/phenotype prediction, development of AMR clinical decision rules, novel antimicrobial agent discovery and antimicrobial therapy optimization. Application of machine learning to studying AMR is feasible but remains limited. Implementation of machine learning in clinical settings faces barriers to uptake with concerns regarding model interpretability and data quality.Future applications of machine learning to AMR are likely to be laboratory-based, such as antimicrobial susceptibility phenotype prediction.

  12. Learning Machine Learning: A Case Study

    Science.gov (United States)

    Lavesson, N.

    2010-01-01

    This correspondence reports on a case study conducted in the Master's-level Machine Learning (ML) course at Blekinge Institute of Technology, Sweden. The students participated in a self-assessment test and a diagnostic test of prerequisite subjects, and their results on these tests are correlated with their achievement of the course's learning…

  13. Learning Machine Learning: A Case Study

    Science.gov (United States)

    Lavesson, N.

    2010-01-01

    This correspondence reports on a case study conducted in the Master's-level Machine Learning (ML) course at Blekinge Institute of Technology, Sweden. The students participated in a self-assessment test and a diagnostic test of prerequisite subjects, and their results on these tests are correlated with their achievement of the course's learning…

  14. Space-Filling Curves as a Novel Crystal Structure Representation for Machine Learning Models

    CERN Document Server

    Jasrasaria, Dipti; Rappoport, Dmitrij; Aspuru-Guzik, Alan

    2016-01-01

    A fundamental problem in applying machine learning techniques for chemical problems is to find suitable representations for molecular and crystal structures. While the structure representations based on atom connectivities are prevalent for molecules, two-dimensional descriptors are not suitable for describing molecular crystals. In this work, we introduce the SFC-M family of feature representations, which are based on Morton space-filling curves, as an alternative means of representing crystal structures. Latent Semantic Indexing (LSI) was employed in a novel setting to reduce sparsity of feature representations. The quality of the SFC-M representations were assessed by using them in combination with artificial neural networks to predict Density Functional Theory (DFT) single point, Ewald summed, lattice, and many-body dispersion energies of 839 organic molecular crystal unit cells from the Cambridge Structural Database that consist of the elements C, H, N, and O. Promising initial results suggest that the S...

  15. Machine learning methods for empirical streamflow simulation: a comparison of model accuracy, interpretability, and uncertainty in seasonal watersheds

    Science.gov (United States)

    Shortridge, Julie E.; Guikema, Seth D.; Zaitchik, Benjamin F.

    2016-07-01

    In the past decade, machine learning methods for empirical rainfall-runoff modeling have seen extensive development and been proposed as a useful complement to physical hydrologic models, particularly in basins where data to support process-based models are limited. However, the majority of research has focused on a small number of methods, such as artificial neural networks, despite the development of multiple other approaches for non-parametric regression in recent years. Furthermore, this work has often evaluated model performance based on predictive accuracy alone, while not considering broader objectives, such as model interpretability and uncertainty, that are important if such methods are to be used for planning and management decisions. In this paper, we use multiple regression and machine learning approaches (including generalized additive models, multivariate adaptive regression splines, artificial neural networks, random forests, and M5 cubist models) to simulate monthly streamflow in five highly seasonal rivers in the highlands of Ethiopia and compare their performance in terms of predictive accuracy, error structure and bias, model interpretability, and uncertainty when faced with extreme climate conditions. While the relative predictive performance of models differed across basins, data-driven approaches were able to achieve reduced errors when compared to physical models developed for the region. Methods such as random forests and generalized additive models may have advantages in terms of visualization and interpretation of model structure, which can be useful in providing insights into physical watershed function. However, the uncertainty associated with model predictions under extreme climate conditions should be carefully evaluated, since certain models (especially generalized additive models and multivariate adaptive regression splines) become highly variable when faced with high temperatures.

  16. Attractor Control Using Machine Learning

    CERN Document Server

    Duriez, Thomas; Noack, Bernd R; Cordier, Laurent; Segond, Marc; Abel, Markus

    2013-01-01

    We propose a general strategy for feedback control design of complex dynamical systems exploiting the nonlinear mechanisms in a systematic unsupervised manner. These dynamical systems can have a state space of arbitrary dimension with finite number of actuators (multiple inputs) and sensors (multiple outputs). The control law maps outputs into inputs and is optimized with respect to a cost function, containing physics via the dynamical or statistical properties of the attractor to be controlled. Thus, we are capable of exploiting nonlinear mechanisms, e.g. chaos or frequency cross-talk, serving the control objective. This optimization is based on genetic programming, a branch of machine learning. This machine learning control is successfully applied to the stabilization of nonlinearly coupled oscillators and maximization of Lyapunov exponent of a forced Lorenz system. We foresee potential applications to most nonlinear multiple inputs/multiple outputs control problems, particulary in experiments.

  17. Machine Learning for ATLAS DDM Network Metrics

    CERN Document Server

    Lassnig, Mario; The ATLAS collaboration; Vamosi, Ralf

    2016-01-01

    The increasing volume of physics data is posing a critical challenge to the ATLAS experiment. In anticipation of high luminosity physics, automation of everyday data management tasks has become necessary. Previously many of these tasks required human decision-making and operation. Recent advances in hardware and software have made it possible to entrust more complicated duties to automated systems using models trained by machine learning algorithms. In this contribution we show results from our ongoing automation efforts. First, we describe our framework for distributed data management and network metrics, automatically extract and aggregate data, train models with various machine learning algorithms, and eventually score the resulting models and parameters. Second, we use these models to forecast metrics relevant for network-aware job scheduling and data brokering. We show the characteristics of the data and evaluate the forecasting accuracy of our models.

  18. Machine learning phases of matter

    OpenAIRE

    Carrasquilla, Juan; Melko, Roger G.

    2016-01-01

    Neural networks can be used to identify phases and phase transitions in condensed matter systems via supervised machine learning. Readily programmable through modern software libraries, we show that a standard feed-forward neural network can be trained to detect multiple types of order parameter directly from raw state configurations sampled with Monte Carlo. In addition, they can detect highly non-trivial states such as Coulomb phases, and if modified to a convolutional neural network, topol...

  19. Galaxy Classification using Machine Learning

    Science.gov (United States)

    Fowler, Lucas; Schawinski, Kevin; Brandt, Ben-Elias; widmer, Nicole

    2017-01-01

    We present our current research into the use of machine learning to classify galaxy imaging data with various convolutional neural network configurations in TensorFlow. We are investigating how five-band Sloan Digital Sky Survey imaging data can be used to train on physical properties such as redshift, star formation rate, mass and morphology. We also investigate the performance of artificially redshifted images in recovering physical properties as image quality degrades.

  20. Financial signal processing and machine learning

    CERN Document Server

    Kulkarni,Sanjeev R; Dmitry M. Malioutov

    2016-01-01

    The modern financial industry has been required to deal with large and diverse portfolios in a variety of asset classes often with limited market data available. Financial Signal Processing and Machine Learning unifies a number of recent advances made in signal processing and machine learning for the design and management of investment portfolios and financial engineering. This book bridges the gap between these disciplines, offering the latest information on key topics including characterizing statistical dependence and correlation in high dimensions, constructing effective and robust risk measures, and their use in portfolio optimization and rebalancing. The book focuses on signal processing approaches to model return, momentum, and mean reversion, addressing theoretical and implementation aspects. It highlights the connections between portfolio theory, sparse learning and compressed sensing, sparse eigen-portfolios, robust optimization, non-Gaussian data-driven risk measures, graphical models, causal analy...

  1. From machine learning to deep learning: progress in machine intelligence for rational drug discovery.

    Science.gov (United States)

    Zhang, Lu; Tan, Jianjun; Han, Dan; Zhu, Hao

    2017-09-04

    Machine intelligence, which is normally presented as artificial intelligence, refers to the intelligence exhibited by computers. In the history of rational drug discovery, various machine intelligence approaches have been applied to guide traditional experiments, which are expensive and time-consuming. Over the past several decades, machine-learning tools, such as quantitative structure-activity relationship (QSAR) modeling, were developed that can identify potential biological active molecules from millions of candidate compounds quickly and cheaply. However, when drug discovery moved into the era of 'big' data, machine learning approaches evolved into deep learning approaches, which are a more powerful and efficient way to deal with the massive amounts of data generated from modern drug discovery approaches. Here, we summarize the history of machine learning and provide insight into recently developed deep learning approaches and their applications in rational drug discovery. We suggest that this evolution of machine intelligence now provides a guide for early-stage drug design and discovery in the current big data era. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Extreme learning machines: a new approach for modeling dissolved oxygen (DO) concentration with and without water quality variables as predictors.

    Science.gov (United States)

    Heddam, Salim; Kisi, Ozgur

    2017-07-01

    In this paper, several extreme learning machine (ELM) models, including standard extreme learning machine with sigmoid activation function (S-ELM), extreme learning machine with radial basis activation function (R-ELM), online sequential extreme learning machine (OS-ELM), and optimally pruned extreme learning machine (OP-ELM), are newly applied for predicting dissolved oxygen concentration with and without water quality variables as predictors. Firstly, using data from eight United States Geological Survey (USGS) stations located in different rivers basins, USA, the S-ELM, R-ELM, OS-ELM, and OP-ELM were compared against the measured dissolved oxygen (DO) using four water quality variables, water temperature, specific conductance, turbidity, and pH, as predictors. For each station, we used data measured at an hourly time step for a period of 4 years. The dataset was divided into a training set (70%) and a validation set (30%). We selected several combinations of the water quality variables as inputs for each ELM model and six different scenarios were compared. Secondly, an attempt was made to predict DO concentration without water quality variables. To achieve this goal, we used the year numbers, 2008, 2009, etc., month numbers from (1) to (12), day numbers from (1) to (31) and hour numbers from (00:00) to (24:00) as predictors. Thirdly, the best ELM models were trained using validation dataset and tested with the training dataset. The performances of the four ELM models were evaluated using four statistical indices: the coefficient of correlation (R), the Nash-Sutcliffe efficiency (NSE), the root mean squared error (RMSE), and the mean absolute error (MAE). Results obtained from the eight stations indicated that: (i) the best results were obtained by the S-ELM, R-ELM, OS-ELM, and OP-ELM models having four water quality variables as predictors; (ii) out of eight stations, the OP-ELM performed better than the other three ELM models at seven stations while the R

  3. Ozone ensemble forecast with machine learning algorithms

    OpenAIRE

    Mallet, Vivien; Stoltz, Gilles; Mauricette, Boris

    2009-01-01

    International audience; We apply machine learning algorithms to perform sequential aggregation of ozone forecasts. The latter rely on a multimodel ensemble built for ozone forecasting with the modeling system Polyphemus. The ensemble simulations are obtained by changes in the physical parameterizations, the numerical schemes, and the input data to the models. The simulations are carried out for summer 2001 over western Europe in order to forecast ozone daily peaks and ozone hourly concentrati...

  4. Large-Scale Machine Learning for Classification and Search

    Science.gov (United States)

    Liu, Wei

    2012-01-01

    With the rapid development of the Internet, nowadays tremendous amounts of data including images and videos, up to millions or billions, can be collected for training machine learning models. Inspired by this trend, this thesis is dedicated to developing large-scale machine learning techniques for the purpose of making classification and nearest…

  5. Large-Scale Machine Learning for Classification and Search

    Science.gov (United States)

    Liu, Wei

    2012-01-01

    With the rapid development of the Internet, nowadays tremendous amounts of data including images and videos, up to millions or billions, can be collected for training machine learning models. Inspired by this trend, this thesis is dedicated to developing large-scale machine learning techniques for the purpose of making classification and nearest…

  6. Continual Learning through Evolvable Neural Turing Machines

    DEFF Research Database (Denmark)

    Lüders, Benno; Schläger, Mikkel; Risi, Sebastian

    2016-01-01

    Continual learning, i.e. the ability to sequentially learn tasks without catastrophic forgetting of previously learned ones, is an important open challenge in machine learning. In this paper we take a step in this direction by showing that the recently proposed Evolving Neural Turing Machine (ENTM......) approach is able to perform one-shot learning in a reinforcement learning task without catastrophic forgetting of previously stored associations....

  7. Reverse hypothesis machine learning a practitioner's perspective

    CERN Document Server

    Kulkarni, Parag

    2017-01-01

    This book introduces a paradigm of reverse hypothesis machines (RHM), focusing on knowledge innovation and machine learning. Knowledge- acquisition -based learning is constrained by large volumes of data and is time consuming. Hence Knowledge innovation based learning is the need of time. Since under-learning results in cognitive inabilities and over-learning compromises freedom, there is need for optimal machine learning. All existing learning techniques rely on mapping input and output and establishing mathematical relationships between them. Though methods change the paradigm remains the same—the forward hypothesis machine paradigm, which tries to minimize uncertainty. The RHM, on the other hand, makes use of uncertainty for creative learning. The approach uses limited data to help identify new and surprising solutions. It focuses on improving learnability, unlike traditional approaches, which focus on accuracy. The book is useful as a reference book for machine learning researchers and professionals as ...

  8. A comparison of machine learning algorithms for chemical toxicity classification using a simulated multi-scale data model

    Directory of Open Access Journals (Sweden)

    Li Zhen

    2008-05-01

    Full Text Available Abstract Background Bioactivity profiling using high-throughput in vitro assays can reduce the cost and time required for toxicological screening of environmental chemicals and can also reduce the need for animal testing. Several public efforts are aimed at discovering patterns or classifiers in high-dimensional bioactivity space that predict tissue, organ or whole animal toxicological endpoints. Supervised machine learning is a powerful approach to discover combinatorial relationships in complex in vitro/in vivo datasets. We present a novel model to simulate complex chemical-toxicology data sets and use this model to evaluate the relative performance of different machine learning (ML methods. Results The classification performance of Artificial Neural Networks (ANN, K-Nearest Neighbors (KNN, Linear Discriminant Analysis (LDA, Naïve Bayes (NB, Recursive Partitioning and Regression Trees (RPART, and Support Vector Machines (SVM in the presence and absence of filter-based feature selection was analyzed using K-way cross-validation testing and independent validation on simulated in vitro assay data sets with varying levels of model complexity, number of irrelevant features and measurement noise. While the prediction accuracy of all ML methods decreased as non-causal (irrelevant features were added, some ML methods performed better than others. In the limit of using a large number of features, ANN and SVM were always in the top performing set of methods while RPART and KNN (k = 5 were always in the poorest performing set. The addition of measurement noise and irrelevant features decreased the classification accuracy of all ML methods, with LDA suffering the greatest performance degradation. LDA performance is especially sensitive to the use of feature selection. Filter-based feature selection generally improved performance, most strikingly for LDA. Conclusion We have developed a novel simulation model to evaluate machine learning methods for the

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

    Science.gov (United States)

    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.

  10. Gaussian Process Regression for Predictive But Interpretable Machine Learning Models: An Example of Predicting Mental Workload across Tasks.

    Science.gov (United States)

    Caywood, Matthew S; Roberts, Daniel M; Colombe, Jeffrey B; Greenwald, Hal S; Weiland, Monica Z

    2016-01-01

    There is increasing interest in real-time brain-computer interfaces (BCIs) for the passive monitoring of human cognitive state, including cognitive workload. Too often, however, effective BCIs based on machine learning techniques may function as "black boxes" that are difficult to analyze or interpret. In an effort toward more interpretable BCIs, we studied a family of N-back working memory tasks using a machine learning model, Gaussian Process Regression (GPR), which was both powerful and amenable to analysis. Participants performed the N-back task with three stimulus variants, auditory-verbal, visual-spatial, and visual-numeric, each at three working memory loads. GPR models were trained and tested on EEG data from all three task variants combined, in an effort to identify a model that could be predictive of mental workload demand regardless of stimulus modality. To provide a comparison for GPR performance, a model was additionally trained using multiple linear regression (MLR). The GPR model was effective when trained on individual participant EEG data, resulting in an average standardized mean squared error (sMSE) between true and predicted N-back levels of 0.44. In comparison, the MLR model using the same data resulted in an average sMSE of 0.55. We additionally demonstrate how GPR can be used to identify which EEG features are relevant for prediction of cognitive workload in an individual participant. A fraction of EEG features accounted for the majority of the model's predictive power; using only the top 25% of features performed nearly as well as using 100% of features. Subsets of features identified by linear models (ANOVA) were not as efficient as subsets identified by GPR. This raises the possibility of BCIs that require fewer model features while capturing all of the information needed to achieve high predictive accuracy.

  11. Modeling and Estimating of Load Demand of Electricity Generated from Hydroelectric Power Plants in Turkey using Machine Learning Methods

    Directory of Open Access Journals (Sweden)

    DURSUN, B.

    2014-02-01

    Full Text Available In this study, the electricity load demand, between 2012 and 2021, has been estimated using the load demand of the electricity generated from hydroelectric power plants in Turkey between 1970 and 2011. Among machine learning algorithms, Multilayer Perceptron, Locally Weighted Learning, Additive Regression, M5Rules and ZeroR classifiers are used to estimate the electricity load demand. Among them, M5Rules and Multilayer Perceptron classifiers are observed to have better performance than the others. ZeroR classifier is a kind of majority classifier used to compare the performances of other classifiers. Locally Weighted Learning and Additive Regression classifiers are Meta classifiers. In the training period conducted by Locally Weighted Learning and Additive Regression classifiers, when Multilayer Perceptron and M5Rules classifiers are chosen respectively, it is possible to obtain models with the highest performance. As a result of the experiments performed using M5Rules and Multilayer Perceptron classifiers, correlation coefficient values of 0.948 and 0.9933 are obtained respectively. And, Mean Absolute Error and Root Mean Squared Error value of Multilayer Perceptron classifier are closer to zero than that of M5Rules classifier. Therefore, it can be said the model performed by Multilayer Perceptron classifier has the best performance compared to the models of other classifiers.

  12. Landscape epidemiology and machine learning: A geospatial approach to modeling West Nile virus risk in the United States

    Science.gov (United States)

    Young, Sean Gregory

    The complex interactions between human health and the physical landscape and environment have been recognized, if not fully understood, since the ancient Greeks. Landscape epidemiology, sometimes called spatial epidemiology, is a sub-discipline of medical geography that uses environmental conditions as explanatory variables in the study of disease or other health phenomena. This theory suggests that pathogenic organisms (whether germs or larger vector and host species) are subject to environmental conditions that can be observed on the landscape, and by identifying where such organisms are likely to exist, areas at greatest risk of the disease can be derived. Machine learning is a sub-discipline of artificial intelligence that can be used to create predictive models from large and complex datasets. West Nile virus (WNV) is a relatively new infectious disease in the United States, and has a fairly well-understood transmission cycle that is believed to be highly dependent on environmental conditions. This study takes a geospatial approach to the study of WNV risk, using both landscape epidemiology and machine learning techniques. A combination of remotely sensed and in situ variables are used to predict WNV incidence with a correlation coefficient as high as 0.86. A novel method of mitigating the small numbers problem is also tested and ultimately discarded. Finally a consistent spatial pattern of model errors is identified, indicating the chosen variables are capable of predicting WNV disease risk across most of the United States, but are inadequate in the northern Great Plains region of the US.

  13. Gaussian Process Regression for Predictive But Interpretable Machine Learning Models: An Example of Predicting Mental Workload across Tasks

    Science.gov (United States)

    Caywood, Matthew S.; Roberts, Daniel M.; Colombe, Jeffrey B.; Greenwald, Hal S.; Weiland, Monica Z.

    2017-01-01

    There is increasing interest in real-time brain-computer interfaces (BCIs) for the passive monitoring of human cognitive state, including cognitive workload. Too often, however, effective BCIs based on machine learning techniques may function as “black boxes” that are difficult to analyze or interpret. In an effort toward more interpretable BCIs, we studied a family of N-back working memory tasks using a machine learning model, Gaussian Process Regression (GPR), which was both powerful and amenable to analysis. Participants performed the N-back task with three stimulus variants, auditory-verbal, visual-spatial, and visual-numeric, each at three working memory loads. GPR models were trained and tested on EEG data from all three task variants combined, in an effort to identify a model that could be predictive of mental workload demand regardless of stimulus modality. To provide a comparison for GPR performance, a model was additionally trained using multiple linear regression (MLR). The GPR model was effective when trained on individual participant EEG data, resulting in an average standardized mean squared error (sMSE) between true and predicted N-back levels of 0.44. In comparison, the MLR model using the same data resulted in an average sMSE of 0.55. We additionally demonstrate how GPR can be used to identify which EEG features are relevant for prediction of cognitive workload in an individual participant. A fraction of EEG features accounted for the majority of the model’s predictive power; using only the top 25% of features performed nearly as well as using 100% of features. Subsets of features identified by linear models (ANOVA) were not as efficient as subsets identified by GPR. This raises the possibility of BCIs that require fewer model features while capturing all of the information needed to achieve high predictive accuracy. PMID:28123359

  14. On-the-Fly Learning in a Perpetual Learning Machine

    OpenAIRE

    2015-01-01

    Despite the promise of brain-inspired machine learning, deep neural networks (DNN) have frustratingly failed to bridge the deceptively large gap between learning and memory. Here, we introduce a Perpetual Learning Machine; a new type of DNN that is capable of brain-like dynamic 'on the fly' learning because it exists in a self-supervised state of Perpetual Stochastic Gradient Descent. Thus, we provide the means to unify learning and memory within a machine learning framework. We also explore ...

  15. A Model for Detecting Tor Encrypted Traffic using Supervised Machine Learning

    Directory of Open Access Journals (Sweden)

    Alaeddin Almubayed

    2015-06-01

    Full Text Available Tor is the low-latency anonymity tool and one of the prevalent used open source anonymity tools for anonymizing TCP traffic on the Internet used by around 500,000 people every day. Tor protects user's privacy against surveillance and censorship by making it extremely difficult for an observer to correlate visited websites in the Internet with the real physical-world identity. Tor accomplished that by ensuring adequate protection of Tor traffic against traffic analysis and feature extraction techniques. Further, Tor ensures anti-website fingerprinting by implementing different defences like TLS encryption, padding, and packet relaying. However, in this paper, an analysis has been performed against Tor from a local observer in order to bypass Tor protections; the method consists of a feature extraction from a local network dataset. Analysis shows that it's still possible for a local observer to fingerprint top monitored sites on Alexa and Tor traffic can be classified amongst other HTTPS traffic in the network despite the use of Tor's protections. In the experiment, several supervised machine-learning algorithms have been employed. The attack assumes a local observer sitting on a local network fingerprinting top 100 sites on Alexa; results gave an improvement amongst previous results by achieving an accuracy of 99.64% and 0.01% false positive.

  16. Machine learning approach identifies new pathways associated with demyelination in a viral model of multiple sclerosis

    Science.gov (United States)

    Ulrich, Reiner; Kalkuhl, Arno; Deschl, Ulrich; Baumgärtner, Wolfgang

    2010-01-01

    Abstract Theiler’s murine encephalomyelitis is an experimentally virus-induced inflammatory demyelinating disease of the spinal cord, displaying clinical and pathological similarities to chronic progressive multiple sclerosis. The aim of this study was to identify pathways associated with chronic demyelination using an assumption-free combined microarray and immunohistology approach. Movement control as determined by rotarod assay significantly worsened in Theiler’s murine encephalomyelitis -virus-infected SJL/J mice from 42 to 196 days after infection (dpi). In the spinal cords, inflammatory changes were detected 14 to 196 dpi, and demyelination progressively increased from 42 to 196 dpi. Microarray analysis revealed 1001 differentially expressed genes over the study period. The dominating changes as revealed by k-means and functional annotation clustering included up-regulations related to intrathecal antibody production and antigen processing and presentation via major histocompatibility class II molecules. A random forest machine learning algorithm revealed that down-regulated lipid and cholesterol biosynthesis, differentially expressed neurite morphogenesis and up-regulated toll-like receptor-4-induced pathways were intimately associated with demyelination as measured by immunohistology. Conclusively, although transcriptional changes were dominated by the adaptive immune response, the main pathways associated with demyelination included up-regulation of toll-like receptor 4 and down-regulation of cholesterol biosynthesis. Cholesterol biosynthesis is a rate limiting step of myelination and its down-regulation is suggested to be involved in chronic demyelination by an inhibition of remyelination. PMID:19183246

  17. Modelling and analysing track cycling Omnium performances using statistical and machine learning techniques.

    Science.gov (United States)

    Ofoghi, Bahadorreza; Zeleznikow, John; Dwyer, Dan; Macmahon, Clare

    2013-01-01

    This article describes the utilisation of an unsupervised machine learning technique and statistical approaches (e.g., the Kolmogorov-Smirnov test) that assist cycling experts in the crucial decision-making processes for athlete selection, training, and strategic planning in the track cycling Omnium. The Omnium is a multi-event competition that will be included in the summer Olympic Games for the first time in 2012. Presently, selectors and cycling coaches make decisions based on experience and intuition. They rarely have access to objective data. We analysed both the old five-event (first raced internationally in 2007) and new six-event (first raced internationally in 2011) Omniums and found that the addition of the elimination race component to the Omnium has, contrary to expectations, not favoured track endurance riders. We analysed the Omnium data and also determined the inter-relationships between different individual events as well as between those events and the final standings of riders. In further analysis, we found that there is no maximum ranking (poorest performance) in each individual event that riders can afford whilst still winning a medal. We also found the required times for riders to finish the timed components that are necessary for medal winning. The results of this study consider the scoring system of the Omnium and inform decision-making toward successful participation in future major Omnium competitions.

  18. Machine learning approaches in medical image analysis

    DEFF Research Database (Denmark)

    de Bruijne, Marleen

    2016-01-01

    Machine learning approaches are increasingly successful in image-based diagnosis, disease prognosis, and risk assessment. This paper highlights new research directions and discusses three main challenges related to machine learning in medical imaging: coping with variation in imaging protocols......, learning from weak labels, and interpretation and evaluation of results....

  19. Machine learning models identify molecules active against the Ebola virus in vitro [version 2; referees: 2 approved

    Directory of Open Access Journals (Sweden)

    Sean Ekins

    2016-01-01

    Full Text Available The search for small molecule inhibitors of Ebola virus (EBOV has led to several high throughput screens over the past 3 years. These have identified a range of FDA-approved active pharmaceutical ingredients (APIs with anti-EBOV activity in vitro and several of which are also active in a mouse infection model. There are millions of additional commercially-available molecules that could be screened for potential activities as anti-EBOV compounds. One way to prioritize compounds for testing is to generate computational models based on the high throughput screening data and then virtually screen compound libraries. In the current study, we have generated Bayesian machine learning models with viral pseudotype entry assay and the EBOV replication assay data. We have validated the models internally and externally. We have also used these models to computationally score the MicroSource library of drugs to select those likely to be potential inhibitors. Three of the highest scoring molecules that were not in the model training sets, quinacrine, pyronaridine and tilorone, were tested in vitro and had EC50 values of 350, 420 and 230 nM, respectively. Pyronaridine is a component of a combination therapy for malaria that was recently approved by the European Medicines Agency, which may make it more readily accessible for clinical testing. Like other known antimalarial drugs active against EBOV, it shares the 4-aminoquinoline scaffold. Tilorone, is an investigational antiviral agent that has shown a broad array of biological activities including cell growth inhibition in cancer cells, antifibrotic properties, α7 nicotinic receptor agonist activity, radioprotective activity and activation of hypoxia inducible factor-1. Quinacrine is an antimalarial but also has use as an anthelmintic. Our results suggest data sets with less than 1,000 molecules can produce validated machine learning models that can in turn be utilized to identify novel EBOV inhibitors in

  20. Machine learning models identify molecules active against the Ebola virus in vitro [version 1; referees: 2 approved

    Directory of Open Access Journals (Sweden)

    Sean Ekins

    2015-10-01

    Full Text Available The search for small molecule inhibitors of Ebola virus (EBOV has led to several high throughput screens over the past 3 years. These have identified a range of FDA-approved active pharmaceutical ingredients (APIs with anti-EBOV activity in vitro and several of which are also active in a mouse infection model. There are millions of additional commercially-available molecules that could be screened for potential activities as anti-EBOV compounds. One way to prioritize compounds for testing is to generate computational models based on the high throughput screening data and then virtually screen compound libraries. In the current study, we have generated Bayesian machine learning models with viral pseudotype entry assay and the EBOV replication assay data. We have validated the models internally and externally. We have also used these models to computationally score the MicroSource library of drugs to select those likely to be potential inhibitors. Three of the highest scoring molecules that were not in the model training sets, quinacrine, pyronaridine and tilorone, were tested in vitro and had EC50 values of 350, 420 and 230 nM, respectively. Pyronaridine is a component of a combination therapy for malaria that was recently approved by the European Medicines Agency, which may make it more readily accessible for clinical testing. Like other known antimalarial drugs active against EBOV, it shares the 4-aminoquinoline scaffold. Tilorone, is an investigational antiviral agent that has shown a broad array of biological activities including cell growth inhibition in cancer cells, antifibrotic properties, α7 nicotinic receptor agonist activity, radioprotective activity and activation of hypoxia inducible factor-1. Quinacrine is an antimalarial but also has use as an anthelmintic. Our results suggest data sets with less than 1,000 molecules can produce validated machine learning models that can in turn be utilized to identify novel EBOV inhibitors in

  1. Machine learning models identify molecules active against the Ebola virus in vitro [version 3; referees: 2 approved

    Directory of Open Access Journals (Sweden)

    Sean Ekins

    2017-01-01

    Full Text Available The search for small molecule inhibitors of Ebola virus (EBOV has led to several high throughput screens over the past 3 years. These have identified a range of FDA-approved active pharmaceutical ingredients (APIs with anti-EBOV activity in vitro and several of which are also active in a mouse infection model. There are millions of additional commercially-available molecules that could be screened for potential activities as anti-EBOV compounds. One way to prioritize compounds for testing is to generate computational models based on the high throughput screening data and then virtually screen compound libraries. In the current study, we have generated Bayesian machine learning models with viral pseudotype entry assay and the EBOV replication assay data. We have validated the models internally and externally. We have also used these models to computationally score the MicroSource library of drugs to select those likely to be potential inhibitors. Three of the highest scoring molecules that were not in the model training sets, quinacrine, pyronaridine and tilorone, were tested in vitro and had EC50 values of 350, 420 and 230 nM, respectively. Pyronaridine is a component of a combination therapy for malaria that was recently approved by the European Medicines Agency, which may make it more readily accessible for clinical testing. Like other known antimalarial drugs active against EBOV, it shares the 4-aminoquinoline scaffold. Tilorone, is an investigational antiviral agent that has shown a broad array of biological activities including cell growth inhibition in cancer cells, antifibrotic properties, α7 nicotinic receptor agonist activity, radioprotective activity and activation of hypoxia inducible factor-1. Quinacrine is an antimalarial but also has use as an anthelmintic. Our results suggest data sets with less than 1,000 molecules can produce validated machine learning models that can in turn be utilized to identify novel EBOV inhibitors in

  2. Extreme Learning Machine for land cover classification

    OpenAIRE

    Pal, Mahesh

    2008-01-01

    This paper explores the potential of extreme learning machine based supervised classification algorithm for land cover classification. In comparison to a backpropagation neural network, which requires setting of several user-defined parameters and may produce local minima, extreme learning machine require setting of one parameter and produce a unique solution. ETM+ multispectral data set (England) was used to judge the suitability of extreme learning machine for remote sensing classifications...

  3. Machine learning in genetics and genomics

    Science.gov (United States)

    Libbrecht, Maxwell W.; Noble, William Stafford

    2016-01-01

    The field of machine learning promises to enable computers to assist humans in making sense of large, complex data sets. In this review, we outline some of the main applications of machine learning to genetic and genomic data. In the process, we identify some recurrent challenges associated with this type of analysis and provide general guidelines to assist in the practical application of machine learning to real genetic and genomic data. PMID:25948244

  4. Introducing Machine Learning Concepts with WEKA.

    Science.gov (United States)

    Smith, Tony C; Frank, Eibe

    2016-01-01

    This chapter presents an introduction to data mining with machine learning. It gives an overview of various types of machine learning, along with some examples. It explains how to download, install, and run the WEKA data mining toolkit on a simple data set, then proceeds to explain how one might approach a bioinformatics problem. Finally, it includes a brief summary of machine learning algorithms for other types of data mining problems, and provides suggestions about where to find additional information.

  5. WEIBULL MULTIPLICATIVE MODEL AND MACHINE LEARNING MODELS FOR FULL-AUTOMATIC DARK-SPOT DETECTION FROM SAR IMAGES

    Directory of Open Access Journals (Sweden)

    A. Taravat

    2013-09-01

    Full Text Available As a major aspect of marine pollution, oil release into the sea has serious biological and environmental impacts. Among remote sensing systems (which is a tool that offers a non-destructive investigation method, synthetic aperture radar (SAR can provide valuable synoptic information about the position and size of the oil spill due to its wide area coverage and day/night, and all-weather capabilities. In this paper we present a new automated method for oil-spill monitoring. A new approach is based on the combination of Weibull Multiplicative Model and machine learning techniques to differentiate between dark spots and the background. First, the filter created based on Weibull Multiplicative Model is applied to each sub-image. Second, the sub-image is segmented by two different neural networks techniques (Pulsed Coupled Neural Networks and Multilayer Perceptron Neural Networks. As the last step, a very simple filtering process is used to eliminate the false targets. The proposed approaches were tested on 20 ENVISAT and ERS2 images which contained dark spots. The same parameters were used in all tests. For the overall dataset, the average accuracies of 94.05 % and 95.20 % were obtained for PCNN and MLP methods, respectively. The average computational time for dark-spot detection with a 256 × 256 image in about 4 s for PCNN segmentation using IDL software which is the fastest one in this field at present. Our experimental results demonstrate that the proposed approach is very fast, robust and effective. The proposed approach can be applied to the future spaceborne SAR images.

  6. Trends in Machine Learning for Signal Processing

    DEFF Research Database (Denmark)

    Adali, Tulay; Miller, David J.; Diamantaras, Konstantinos I.

    2011-01-01

    By putting the accent on learning from the data and the environment, the Machine Learning for SP (MLSP) Technical Committee (TC) provides the essential bridge between the machine learning and SP communities. While the emphasis in MLSP is on learning and data-driven approaches, SP defines the main...... applications of interest, and thus the constraints and requirements on solutions, which include computational efficiency, online adaptation, and learning with limited supervision/reference data....

  7. MLBCD: a machine learning tool for big clinical data.

    Science.gov (United States)

    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.

  8. Machine learning in geosciences and remote sensing

    Institute of Scientific and Technical Information of China (English)

    David J. Lary; Amir H. Alavi; Amir H. Gandomi; Annette L. Walker

    2016-01-01

    Learning incorporates a broad range of complex procedures. Machine learning (ML) is a subdivision of artificial intelligence based on the biological learning process. The ML approach deals with the design of algorithms to learn from machine readable data. ML covers main domains such as data mining, difficult-to-program applications, and software applications. It is a collection of a variety of algorithms (e.g. neural networks, support vector machines, self-organizing map, decision trees, random forests, case-based reasoning, genetic programming, etc.) that can provide multivariate, nonlinear, nonparametric regres-sion or classification. The modeling capabilities of the ML-based methods have resulted in their extensive applications in science and engineering. Herein, the role of ML as an effective approach for solving problems in geosciences and remote sensing will be highlighted. The unique features of some of the ML techniques will be outlined with a specific attention to genetic programming paradigm. Furthermore, nonparametric regression and classification illustrative examples are presented to demonstrate the ef-ficiency of ML for tackling the geosciences and remote sensing problems.

  9. Machine learning in geosciences and remote sensing

    Directory of Open Access Journals (Sweden)

    David J. Lary

    2016-01-01

    Full Text Available Learning incorporates a broad range of complex procedures. Machine learning (ML is a subdivision of artificial intelligence based on the biological learning process. The ML approach deals with the design of algorithms to learn from machine readable data. ML covers main domains such as data mining, difficult-to-program applications, and software applications. It is a collection of a variety of algorithms (e.g. neural networks, support vector machines, self-organizing map, decision trees, random forests, case-based reasoning, genetic programming, etc. that can provide multivariate, nonlinear, nonparametric regression or classification. The modeling capabilities of the ML-based methods have resulted in their extensive applications in science and engineering. Herein, the role of ML as an effective approach for solving problems in geosciences and remote sensing will be highlighted. The unique features of some of the ML techniques will be outlined with a specific attention to genetic programming paradigm. Furthermore, nonparametric regression and classification illustrative examples are presented to demonstrate the efficiency of ML for tackling the geosciences and remote sensing problems.

  10. Advanced Machine learning Algorithm Application for Rotating Machine Health Monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Kanemoto, Shigeru; Watanabe, Masaya [The University of Aizu, Aizuwakamatsu (Japan); Yusa, Noritaka [Tohoku University, Sendai (Japan)

    2014-08-15

    The present paper tries to evaluate the applicability of conventional sound analysis techniques and modern machine learning algorithms to rotating machine health monitoring. These techniques include support vector machine, deep leaning neural network, etc. The inner ring defect and misalignment anomaly sound data measured by a rotating machine mockup test facility are used to verify the above various kinds of algorithms. Although we cannot find remarkable difference of anomaly discrimination performance, some methods give us the very interesting eigen patterns corresponding to normal and abnormal states. These results will be useful for future more sensitive and robust anomaly monitoring technology.

  11. Machine learning in medicine cookbook

    CERN Document Server

    Cleophas, Ton J

    2014-01-01

    The amount of data in medical databases doubles every 20 months, and physicians are at a loss to analyze them. Also, traditional methods of data analysis have difficulty to identify outliers and patterns in big data and data with multiple exposure / outcome variables and analysis-rules for surveys and questionnaires, currently common methods of data collection, are, essentially, missing. Obviously, it is time that medical and health professionals mastered their reluctance to use machine learning and the current 100 page cookbook should be helpful to that aim. It covers in a condensed form the subjects reviewed in the 750 page three volume textbook by the same authors, entitled “Machine Learning in Medicine I-III” (ed. by Springer, Heidelberg, Germany, 2013) and was written as a hand-hold presentation and must-read publication. It was written not only to investigators and students in the fields, but also to jaded clinicians new to the methods and lacking time to read the entire textbooks. General purposes ...

  12. Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties

    Science.gov (United States)

    Gaultois, Michael W.; Oliynyk, Anton O.; Mar, Arthur; Sparks, Taylor D.; Mulholland, Gregory J.; Meredig, Bryce

    2016-05-01

    The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools such as density functional theory (DFT) offer the possibility of rationally guiding experimental synthesis efforts toward very different chemistries. However, in practice, predicting thermoelectric properties from first principles remains a challenging endeavor [J. Carrete et al., Phys. Rev. X 4, 011019 (2014)], and experimental researchers generally do not directly use computation to drive their own synthesis efforts. To bridge this practical gap between experimental needs and computational tools, we report an open machine learning-based recommendation engine (http://thermoelectrics.citrination.com) for materials researchers that suggests promising new thermoelectric compositions based on pre-screening about 25 000 known materials and also evaluates the feasibility of user-designed compounds. We show this engine can identify interesting chemistries very different from known thermoelectrics. Specifically, we describe the experimental characterization of one example set of compounds derived from our engine, RE12Co5Bi (RE = Gd, Er), which exhibits surprising thermoelectric performance given its unprecedentedly high loading with metallic d and f block elements and warrants further investigation as a new thermoelectric material platform. We show that our engine predicts this family of materials to have low thermal and high electrical conductivities, but modest Seebeck coefficient, all of which are confirmed experimentally. We note that the engine also predicts materials that may simultaneously optimize all three properties entering into zT; we selected RE12Co5Bi for this study due to its interesting chemical composition and known facile synthesis.

  13. Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties

    Directory of Open Access Journals (Sweden)

    Michael W. Gaultois

    2016-05-01

    Full Text Available The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools such as density functional theory (DFT offer the possibility of rationally guiding experimental synthesis efforts toward very different chemistries. However, in practice, predicting thermoelectric properties from first principles remains a challenging endeavor [J. Carrete et al., Phys. Rev. X 4, 011019 (2014], and experimental researchers generally do not directly use computation to drive their own synthesis efforts. To bridge this practical gap between experimental needs and computational tools, we report an open machine learning-based recommendation engine (http://thermoelectrics.citrination.com for materials researchers that suggests promising new thermoelectric compositions based on pre-screening about 25 000 known materials and also evaluates the feasibility of user-designed compounds. We show this engine can identify interesting chemistries very different from known thermoelectrics. Specifically, we describe the experimental characterization of one example set of compounds derived from our engine, RE12Co5Bi (RE = Gd, Er, which exhibits surprising thermoelectric performance given its unprecedentedly high loading with metallic d and f block elements and warrants further investigation as a new thermoelectric material platform. We show that our engine predicts this family of materials to have low thermal and high electrical conductivities, but modest Seebeck coefficient, all of which are confirmed experimentally. We note that the engine also predicts materials that may simultaneously optimize all three properties entering into zT; we selected RE12Co5Bi for this study due to its interesting chemical composition and known facile synthesis.

  14. Machine-learning model observer for detection and localization tasks in clinical SPECT-MPI

    Science.gov (United States)

    Parages, Felipe M.; O'Connor, J. Michael; Pretorius, P. Hendrik; Brankov, Jovan G.

    2016-03-01

    In this work we propose a machine-learning MO based on Naive-Bayes classification (NB-MO) for the diagnostic tasks of detection, localization and assessment of perfusion defects in clinical SPECT Myocardial Perfusion Imaging (MPI), with the goal of evaluating several image reconstruction methods used in clinical practice. NB-MO uses image features extracted from polar-maps in order to predict lesion detection, localization and severity scores given by human readers in a series of 3D SPECT-MPI. The population used to tune (i.e. train) the NB-MO consisted of simulated SPECT-MPI cases - divided into normals or with lesions in variable sizes and locations - reconstructed using filtered backprojection (FBP) method. An ensemble of five human specialists (physicians) read a subset of simulated reconstructed images, and assigned a perfusion score for each region of the left-ventricle (LV). Polar-maps generated from the simulated volumes along with their corresponding human scores were used to train five NB-MOs (one per human reader), which are subsequently applied (i.e. tested) on three sets of clinical SPECT-MPI polar maps, in order to predict human detection and localization scores. The clinical "testing" population comprises healthy individuals and patients suffering from coronary artery disease (CAD) in three possible regions, namely: LAD, LcX and RCA. Each clinical case was reconstructed using three reconstruction strategies, namely: FBP with no SC (i.e. scatter compensation), OSEM with Triple Energy Window (TEW) SC method, and OSEM with Effective Source Scatter Estimation (ESSE) SC. Alternative Free-Response (AFROC) analysis of perfusion scores shows that NB-MO predicts a higher human performance for scatter-compensated reconstructions, in agreement with what has been reported in published literature. These results suggest that NB-MO has good potential to generalize well to reconstruction methods not used during training, even for reasonably dissimilar datasets (i

  15. Discharge estimation based on machine learning

    Institute of Scientific and Technical Information of China (English)

    Zhu JIANG; Hui-yan WANG; Wen-wu SONG

    2013-01-01

    To overcome the limitations of the traditional stage-discharge models in describing the dynamic characteristics of a river, a machine learning method of non-parametric regression, the locally weighted regression method was used to estimate discharge. With the purpose of improving the precision and efficiency of river discharge estimation, a novel machine learning method is proposed:the clustering-tree weighted regression method. First, the training instances are clustered. Second, the k-nearest neighbor method is used to cluster new stage samples into the best-fit cluster. Finally, the daily discharge is estimated. In the estimation process, the interference of irrelevant information can be avoided, so that the precision and efficiency of daily discharge estimation are improved. Observed data from the Luding Hydrological Station were used for testing. The simulation results demonstrate that the precision of this method is high. This provides a new effective method for discharge estimation.

  16. A comparison of numerical and machine-learning modeling of soil water content with limited input data

    Science.gov (United States)

    Karandish, Fatemeh; Šimůnek, Jiří

    2016-12-01

    Soil water content (SWC) is a key factor in optimizing the usage of water resources in agriculture since it provides information to make an accurate estimation of crop water demand. Methods for predicting SWC that have simple data requirements are needed to achieve an optimal irrigation schedule, especially for various water-saving irrigation strategies that are required to resolve both food and water security issues under conditions of water shortages. Thus, a two-year field investigation was carried out to provide a dataset to compare the effectiveness of HYDRUS-2D, a physically-based numerical model, with various machine-learning models, including Multiple Linear Regressions (MLR), Adaptive Neuro-Fuzzy Inference Systems (ANFIS), and Support Vector Machines (SVM), for simulating time series of SWC data under water stress conditions. SWC was monitored using TDRs during the maize growing seasons of 2010 and 2011. Eight combinations of six, simple, independent parameters, including pan evaporation and average air temperature as atmospheric parameters, cumulative growth degree days (cGDD) and crop coefficient (Kc) as crop factors, and water deficit (WD) and irrigation depth (In) as crop stress factors, were adopted for the estimation of SWCs in the machine-learning models. Having Root Mean Square Errors (RMSE) in the range of 0.54-2.07 mm, HYDRUS-2D ranked first for the SWC estimation, while the ANFIS and SVM models with input datasets of cGDD, Kc, WD and In ranked next with RMSEs ranging from 1.27 to 1.9 mm and mean bias errors of -0.07 to 0.27 mm, respectively. However, the MLR models did not perform well for SWC forecasting, mainly due to non-linear changes of SWCs under the irrigation process. The results demonstrated that despite requiring only simple input data, the ANFIS and SVM models could be favorably used for SWC predictions under water stress conditions, especially when there is a lack of data. However, process-based numerical models are undoubtedly a

  17. Using Machine Learning to Search for MSSM Higgs Bosons

    CERN Document Server

    Diesing, Rebecca

    2016-01-01

    This paper examines the performance of machine learning in the identification of Minimally Su- persymmetric Standard Model (MSSM) Higgs Bosons, and compares this performance to that of traditional cut strategies. Two boosted decision tree algorithms were tested, scikit-learn and XGBoost. These tests indicated that machine learning can perform significantly better than traditional cuts. However, since machine learning in this form cannot be directly implemented in a real MSSM Higgs analysis, this performance information was instead used to better understand the relationships between training variables. Further studies might use this information to construct an improved cut strategy.

  18. Using Machine Learning in Adversarial Environments.

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Warren Leon [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-02-01

    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 approaches 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.

  19. Building machine learning systems with Python

    CERN Document Server

    Coelho, Luis Pedro

    2015-01-01

    This book primarily targets Python developers who want to learn and use Python's machine learning capabilities and gain valuable insights from data to develop effective solutions for business problems.

  20. A general procedure to generate models for urban environmental-noise pollution using feature selection and machine learning methods.

    Science.gov (United States)

    Torija, Antonio J; Ruiz, Diego P

    2015-02-01

    The prediction of environmental noise in urban environments requires the solution of a complex and non-linear problem, since there are complex relationships among the multitude of variables involved in the characterization and modelling of environmental noise and environmental-noise magnitudes. Moreover, the inclusion of the great spatial heterogeneity characteristic of urban environments seems to be essential in order to achieve an accurate environmental-noise prediction in cities. This problem is addressed in this paper, where a procedure based on feature-selection techniques and machine-learning regression methods is proposed and applied to this environmental problem. Three machine-learning regression methods, which are considered very robust in solving non-linear problems, are used to estimate the energy-equivalent sound-pressure level descriptor (LAeq). These three methods are: (i) multilayer perceptron (MLP), (ii) sequential minimal optimisation (SMO), and (iii) Gaussian processes for regression (GPR). In addition, because of the high number of input variables involved in environmental-noise modelling and estimation in urban environments, which make LAeq prediction models quite complex and costly in terms of time and resources for application to real situations, three different techniques are used to approach feature selection or data reduction. The feature-selection techniques used are: (i) correlation-based feature-subset selection (CFS), (ii) wrapper for feature-subset selection (WFS), and the data reduction technique is principal-component analysis (PCA). The subsequent analysis leads to a proposal of different schemes, depending on the needs regarding data collection and accuracy. The use of WFS as the feature-selection technique with the implementation of SMO or GPR as regression algorithm provides the best LAeq estimation (R(2)=0.94 and mean absolute error (MAE)=1.14-1.16 dB(A)). Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Research on Three-dimensional Motion History Image Model and Extreme Learning Machine for Human Body Movement Trajectory Recognition

    OpenAIRE

    Zheng Chang; Xiaojuan Ban; Qing Shen; Jing Guo

    2015-01-01

    Based on the traditional machine vision recognition technology and traditional artificial neural networks about body movement trajectory, this paper finds out the shortcomings of the traditional recognition technology. By combining the invariant moments of the three-dimensional motion history image (computed as the eigenvector of body movements) and the extreme learning machine (constructed as the classification artificial neural network of body movements), the paper applies the method to the...

  2. Learning as a Machine: Crossovers between Humans and Machines

    Science.gov (United States)

    Hildebrandt, Mireille

    2017-01-01

    This article is a revised version of the keynote presented at LAK '16 in Edinburgh. The article investigates some of the assumptions of learning analytics, notably those related to behaviourism. Building on the work of Ivan Pavlov, Herbert Simon, and James Gibson as ways of "learning as a machine," the article then develops two levels of…

  3. Towards better modelling of drug-loading in solid lipid nanoparticles: Molecular dynamics, docking experiments and Gaussian Processes machine learning.

    Science.gov (United States)

    Hathout, Rania M; Metwally, Abdelkader A

    2016-11-01

    This study represents one of the series applying computer-oriented processes and tools in digging for information, analysing data and finally extracting correlations and meaningful outcomes. In this context, binding energies could be used to model and predict the mass of loaded drugs in solid lipid nanoparticles after molecular docking of literature-gathered drugs using MOE® software package on molecularly simulated tripalmitin matrices using GROMACS®. Consequently, Gaussian processes as a supervised machine learning artificial intelligence technique were used to correlate the drugs' descriptors (e.g. M.W., xLogP, TPSA and fragment complexity) with their molecular docking binding energies. Lower percentage bias was obtained compared to previous studies which allows the accurate estimation of the loaded mass of any drug in the investigated solid lipid nanoparticles by just projecting its chemical structure to its main features (descriptors). Copyright © 2016 Elsevier B.V. All rights reserved.

  4. Use of Machine Learning Techniques for Iidentification of Robust Teleconnections to East African Rainfall Variability in Observations and Models

    Science.gov (United States)

    Roberts, J. Brent; Robertson, Franklin R.; Funk, Chris

    2014-01-01

    Providing advance warning of East African rainfall variations is a particular focus of several groups including those participating in the Famine Early Warming Systems Network. Both seasonal and long-term model projections of climate variability are being used to examine the societal impacts of hydrometeorological variability on seasonal to interannual and longer time scales. The NASA / USAID SERVIR project, which leverages satellite and modeling-based resources for environmental decision making in developing nations, is focusing on the evaluation of both seasonal and climate model projections to develop downscaled scenarios for using in impact modeling. The utility of these projections is reliant on the ability of current models to capture the embedded relationships between East African rainfall and evolving forcing within the coupled ocean-atmosphere-land climate system. Previous studies have posited relationships between variations in El Niño, the Walker circulation, Pacific decadal variability (PDV), and anthropogenic forcing. This study applies machine learning methods (e.g. clustering, probabilistic graphical model, nonlinear PCA) to observational datasets in an attempt to expose the importance of local and remote forcing mechanisms of East African rainfall variability. The ability of the NASA Goddard Earth Observing System (GEOS5) coupled model to capture the associated relationships will be evaluated using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations.

  5. Sparse Machine Learning Methods for Understanding Large Text Corpora

    Data.gov (United States)

    National Aeronautics and Space Administration — Sparse machine learning has recently emerged as powerful tool to obtain models of high-dimensional data with high degree of interpretability, at low computational...

  6. Machine Learning wins the Higgs Challenge

    CERN Multimedia

    Abha Eli Phoboo

    2014-01-01

    The winner of the four-month-long Higgs Machine Learning Challenge, launched on 12 May, is Gábor Melis from Hungary, followed closely by Tim Salimans from the Netherlands and Pierre Courtiol from France. The challenge explored the potential of advanced machine learning methods to improve the significance of the Higgs discovery.   Winners of the Higgs Machine Learning Challenge: Gábor Melis and Tim Salimans (top row), Tianqi Chen and Tong He (bottom row). Participants in the Higgs Machine Learning Challenge were tasked with developing an algorithm to improve the detection of Higgs boson signal events decaying into two tau particles in a sample of simulated ATLAS data* that contains few signal and a majority of non-Higgs boson “background” events. No knowledge of particle physics was required for the challenge but skills in machine learning - the training of computers to recognise patterns in data – were essential. The Challenge, hosted by Ka...

  7. Finding New Perovskite Halides via Machine learning

    Directory of Open Access Journals (Sweden)

    Ghanshyam ePilania

    2016-04-01

    Full Text Available Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach towards rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning via building a support vector machine (SVM based classifier that uses elemental features (or descriptors to predict the formability of a given ABX3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br or I anion in the perovskite crystal structure. The classification model is built by learning from a dataset of 181 experimentally known ABX3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. The trained and validated models then predict, with a high degree of confidence, several novel ABX3 compositions with perovskite crystal structure.

  8. Finding New Perovskite Halides via Machine learning

    Science.gov (United States)

    Pilania, Ghanshyam; Balachandran, Prasanna V.; Kim, Chiho; Lookman, Turab

    2016-04-01

    Advanced materials with improved properties have the potential to fuel future technological advancements. However, identification and discovery of these optimal materials for a specific application is a non-trivial task, because of the vastness of the chemical search space with enormous compositional and configurational degrees of freedom. Materials informatics provides an efficient approach towards rational design of new materials, via learning from known data to make decisions on new and previously unexplored compounds in an accelerated manner. Here, we demonstrate the power and utility of such statistical learning (or machine learning) via building a support vector machine (SVM) based classifier that uses elemental features (or descriptors) to predict the formability of a given ABX3 halide composition (where A and B represent monovalent and divalent cations, respectively, and X is F, Cl, Br or I anion) in the perovskite crystal structure. The classification model is built by learning from a dataset of 181 experimentally known ABX3 compounds. After exploring a wide range of features, we identify ionic radii, tolerance factor and octahedral factor to be the most important factors for the classification, suggesting that steric and geometric packing effects govern the stability of these halides. The trained and validated models then predict, with a high degree of confidence, several novel ABX3 compositions with perovskite crystal structure.

  9. Building machine learning systems with Python

    CERN Document Server

    Richert, Willi

    2013-01-01

    This is a tutorial-driven and practical, but well-grounded book showcasing good Machine Learning practices. There will be an emphasis on using existing technologies instead of showing how to write your own implementations of algorithms. This book is a scenario-based, example-driven tutorial. By the end of the book you will have learnt critical aspects of Machine Learning Python projects and experienced the power of ML-based systems by actually working on them.This book primarily targets Python developers who want to learn about and build Machine Learning into their projects, or who want to pro

  10. Applied genetic programming and machine learning

    CERN Document Server

    Iba, Hitoshi; Paul, Topon Kumar

    2009-01-01

    What do financial data prediction, day-trading rule development, and bio-marker selection have in common? They are just a few of the tasks that could potentially be resolved with genetic programming and machine learning techniques. Written by leaders in this field, Applied Genetic Programming and Machine Learning delineates the extension of Genetic Programming (GP) for practical applications. Reflecting rapidly developing concepts and emerging paradigms, this book outlines how to use machine learning techniques, make learning operators that efficiently sample a search space, navigate the searc

  11. Adaptive Learning Systems: Beyond Teaching Machines

    Science.gov (United States)

    Kara, Nuri; Sevim, Nese

    2013-01-01

    Since 1950s, teaching machines have changed a lot. Today, we have different ideas about how people learn, what instructor should do to help students during their learning process. We have adaptive learning technologies that can create much more student oriented learning environments. The purpose of this article is to present these changes and its…

  12. Machine learning for molecular scattering dynamics: Gaussian Process models for improved predictions of molecular collision observables

    Science.gov (United States)

    Krems, Roman; Cui, Jie; Li, Zhiying

    2016-05-01

    We show how statistical learning techniques based on kriging (Gaussian Process regression) can be used for improving the predictions of classical and/or quantum scattering theory. In particular, we show how Gaussian Process models can be used for: (i) efficient non-parametric fitting of multi-dimensional potential energy surfaces without the need to fit ab initio data with analytical functions; (ii) obtaining scattering observables as functions of individual PES parameters; (iii) using classical trajectories to interpolate quantum results; (iv) extrapolation of scattering observables from one molecule to another; (v) obtaining scattering observables with error bars reflecting the inherent inaccuracy of the underlying potential energy surfaces. We argue that the application of Gaussian Process models to quantum scattering calculations may potentially elevate the theoretical predictions to the same level of certainty as the experimental measurements and can be used to identify the role of individual atoms in determining the outcome of collisions of complex molecules. We will show examples and discuss the applications of Gaussian Process models to improving the predictions of scattering theory relevant for the cold molecules research field. Work supported by NSERC of Canada.

  13. Studying depression using imaging and machine learning methods.

    Science.gov (United States)

    Patel, Meenal J; Khalaf, Alexander; Aizenstein, Howard J

    2016-01-01

    Depression is a complex clinical entity that can pose challenges for clinicians regarding both accurate diagnosis and effective timely treatment. These challenges have prompted the development of multiple machine learning methods to help improve the management of this disease. These methods utilize anatomical and physiological data acquired from neuroimaging to create models that can identify depressed patients vs. non-depressed patients and predict treatment outcomes. This article (1) presents a background on depression, imaging, and machine learning methodologies; (2) reviews methodologies of past studies that have used imaging and machine learning to study depression; and (3) suggests directions for future depression-related studies.

  14. International Conference on Extreme Learning Machines 2014

    CERN Document Server

    Mao, Kezhi; Cambria, Erik; Man, Zhihong; Toh, Kar-Ann

    2015-01-01

    This book contains some selected papers from the International Conference on Extreme Learning Machine 2014, which was held in Singapore, December 8-10, 2014. This conference brought together the researchers and practitioners of Extreme Learning Machine (ELM) from a variety of fields to promote research and development of “learning without iterative tuning”.  The book covers theories, algorithms and applications of ELM. It gives the readers a glance of the most recent advances of ELM.  

  15. International Conference on Extreme Learning Machine 2015

    CERN Document Server

    Mao, Kezhi; Wu, Jonathan; Lendasse, Amaury; ELM 2015; Theory, Algorithms and Applications (I); Theory, Algorithms and Applications (II)

    2016-01-01

    This book contains some selected papers from the International Conference on Extreme Learning Machine 2015, which was held in Hangzhou, China, December 15-17, 2015. This conference brought together researchers and engineers to share and exchange R&D experience on both theoretical studies and practical applications of the Extreme Learning Machine (ELM) technique and brain learning. This book covers theories, algorithms ad applications of ELM. It gives readers a glance of the most recent advances of ELM. .

  16. Parameter Identifiability in Statistical Machine Learning: A Review.

    Science.gov (United States)

    Ran, Zhi-Yong; Hu, Bao-Gang

    2017-05-01

    This review examines the relevance of parameter identifiability for statistical models used in machine learning. In addition to defining main concepts, we address several issues of identifiability closely related to machine learning, showing the advantages and disadvantages of state-of-the-art research and demonstrating recent progress. First, we review criteria for determining the parameter structure of models from the literature. This has three related issues: parameter identifiability, parameter redundancy, and reparameterization. Second, we review the deep influence of identifiability on various aspects of machine learning from theoretical and application viewpoints. In addition to illustrating the utility and influence of identifiability, we emphasize the interplay among identifiability theory, machine learning, mathematical statistics, information theory, optimization theory, information geometry, Riemann geometry, symbolic computation, Bayesian inference, algebraic geometry, and others. Finally, we present a new perspective together with the associated challenges.

  17. Python for probability, statistics, and machine learning

    CERN Document Server

    Unpingco, José

    2016-01-01

    This book covers the key ideas that link probability, statistics, and machine learning illustrated using Python modules in these areas. The entire text, including all the figures and numerical results, is reproducible using the Python codes and their associated Jupyter/IPython notebooks, which are provided as supplementary downloads. The author develops key intuitions in machine learning by working meaningful examples using multiple analytical methods and Python codes, thereby connecting theoretical concepts to concrete implementations. Modern Python modules like Pandas, Sympy, and Scikit-learn are applied to simulate and visualize important machine learning concepts like the bias/variance trade-off, cross-validation, and regularization. Many abstract mathematical ideas, such as convergence in probability theory, are developed and illustrated with numerical examples. This book is suitable for anyone with an undergraduate-level exposure to probability, statistics, or machine learning and with rudimentary knowl...

  18. Research on A Kind of Coordination Machine Learning Model Based on The DFS%基于DFS的协调机器学习模型

    Institute of Scientific and Technical Information of China (English)

    李凡长

    2001-01-01

    机器学习是人工智能的核心课题之一,机器学习的研究得到众多学者的广泛关注。基于动态模糊集等基本理论,提出了一种协调学习模型,并讨论了CMLM的学习算法,该种学习方法适合复杂的学习系统。通过研究这种学习方法,进一步丰富了机嚣学习的基本内容。%Machine learning is a key problem for artifical intelligence, which research is a widespread and profound irdluence in many scholar. Based on dynamic fuzzy sets rheem, in this paper, a kind of coordination machine learning model (CMLM) is proposed and learning algorithm of CMLM is discussed. This learning method is fit for complicated learning system. By the research of this learning method, this paper has abundanted the content of machine learning.

  19. Machine Learning Techniques in Clinical Vision Sciences.

    Science.gov (United States)

    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

  20. A machine learning-based automatic currency trading system

    OpenAIRE

    Brvar, Anže

    2012-01-01

    The main goal of this thesis was to develop an automated trading system for Forex trading, which would use machine learning methods and their prediction models for deciding about trading actions. A training data set was obtained from exchange rates and values of technical indicators, which describe conditions on currency market. We estimated selected machine learning algorithms and their parameters with validation with sampling. We have prepared a set of automated trading systems with various...

  1. Acceleration of saddle-point searches with machine learning.

    Science.gov (United States)

    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.

  2. Acceleration of saddle-point searches with machine learning

    Science.gov (United States)

    Peterson, Andrew A.

    2016-08-01

    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.

  3. Machine learning a theoretical approach

    CERN Document Server

    Natarajan, Balas K

    2014-01-01

    This is the first comprehensive introduction to computational learning theory. The author's uniform presentation of fundamental results and their applications offers AI researchers a theoretical perspective on the problems they study. The book presents tools for the analysis of probabilistic models of learning, tools that crisply classify what is and is not efficiently learnable. After a general introduction to Valiant's PAC paradigm and the important notion of the Vapnik-Chervonenkis dimension, the author explores specific topics such as finite automata and neural networks. The presentation

  4. A hybrid feature selection algorithm integrating an extreme learning machine for landslide susceptibility modeling of Mt. Woomyeon, South Korea

    Science.gov (United States)

    Vasu, Nikhil N.; Lee, Seung-Rae

    2016-06-01

    An ever-increasing trend of extreme rainfall events in South Korea owing to climate change is causing shallow landslides and debris flows in mountains that cover 70% of the total land area of the nation. These catastrophic, gravity-driven processes cost the government several billion KRW (South Korean Won) in losses in addition to fatalities every year. The most common type of landslide observed is the shallow landslide, which occurs at 1-3 m depth, and may mobilize into more catastrophic flow-type landslides. Hence, to predict potential landslide areas, susceptibility maps are developed in a geographical information system (GIS) environment utilizing available morphological, hydrological, geotechnical, and geological data. Landslide susceptibility models were developed using 163 landslide points and an equal number of nonlandslide points in Mt. Woomyeon, Seoul, and 23 landslide conditioning factors. However, because not all of the factors contribute to the determination of the spatial probability for landslide initiation, and a simple filter or wrapper-based approach is not efficient in identifying all of the relevant features, a feedback-loop-based hybrid algorithm was implemented in conjunction with a learning scheme called an extreme learning machine, which is based on a single-layer, feed-forward network. Validation of the constructed susceptibility model was conducted using a testing set of landslide inventory data through a prediction rate curve. The model selected 13 relevant conditioning factors out of the initial 23; and the resulting susceptibility map shows a success rate of 85% and a prediction rate of 89.45%, indicating a good performance, in contrast to the low success and prediction rate of 69.19% and 56.19%, respectively, as obtained using a wrapper technique.

  5. A hybrid machine learning model to predict and visualize nitrate concentration throughout the Central Valley aquifer, California, USA

    Science.gov (United States)

    Ransom, Katherine M.; Nolan, Bernard T.; Traum, Jonathan A.; Faunt, Claudia; Bell, Andrew M.; Gronberg, Jo Ann M.; Wheeler, David C.; Zamora, Celia; Jurgens, Bryant; Schwarz, Gregory; Belitz, Kenneth; Eberts, Sandra; Kourakos, George; Harter, Thomas

    2017-01-01

    Intense demand for water in the Central Valley of California and related increases in groundwater nitrate concentration threaten the sustainability of the groundwater resource. To assess contamination risk in the region, we developed a hybrid, non-linear, machine learning model within a statistical learning framework to predict nitrate contamination of groundwater to depths of approximately 500 m below ground surface. A database of 145 predictor variables representing well characteristics, historical and current field and landscape-scale nitrogen mass balances, historical and current land use, oxidation/reduction conditions, groundwater flow, climate, soil characteristics, depth to groundwater, and groundwater age were assigned to over 6000 private supply and public supply wells measured previously for nitrate and located throughout the study area. The boosted regression tree (BRT) method was used to screen and rank variables to predict nitrate concentration at the depths of domestic and public well supplies. The novel approach included as predictor variables outputs from existing physically based models of the Central Valley. The top five most important predictor variables included two oxidation/reduction variables (probability of manganese concentration to exceed 50 ppb and probability of dissolved oxygen concentration to be below 0.5 ppm), field-scale adjusted unsaturated zone nitrogen input for the 1975 time period, average difference between precipitation and evapotranspiration during the years 1971–2000, and 1992 total landscape nitrogen input. Twenty-five variables were selected for the final model for log-transformed nitrate. In general, increasing probability of anoxic conditions and increasing precipitation relative to potential evapotranspiration had a corresponding decrease in nitrate concentration predictions. Conversely, increasing 1975 unsaturated zone nitrogen leaching flux and 1992 total landscape nitrogen input had an increasing relative

  6. Measure Transformer Semantics for Bayesian Machine Learning

    Science.gov (United States)

    Borgström, Johannes; Gordon, Andrew D.; Greenberg, Michael; Margetson, James; van Gael, Jurgen

    The Bayesian approach to machine learning amounts to inferring posterior distributions of random variables from a probabilistic model of how the variables are related (that is, a prior distribution) and a set of observations of variables. There is a trend in machine learning towards expressing Bayesian models as probabilistic programs. As a foundation for this kind of programming, we propose a core functional calculus with primitives for sampling prior distributions and observing variables. We define combinators for measure transformers, based on theorems in measure theory, and use these to give a rigorous semantics to our core calculus. The original features of our semantics include its support for discrete, continuous, and hybrid measures, and, in particular, for observations of zero-probability events. We compile our core language to a small imperative language that has a straightforward semantics via factor graphs, data structures that enable many efficient inference algorithms. We use an existing inference engine for efficient approximate inference of posterior marginal distributions, treating thousands of observations per second for large instances of realistic models.

  7. Machine learning techniques and drug design.

    Science.gov (United States)

    Gertrudes, J C; Maltarollo, V G; Silva, R A; Oliveira, P R; Honório, K M; da Silva, A B F

    2012-01-01

    The interest in the application of machine learning techniques (MLT) as drug design tools is growing in the last decades. The reason for this is related to the fact that the drug design is very complex and requires the use of hybrid techniques. A brief review of some MLT such as self-organizing maps, multilayer perceptron, bayesian neural networks, counter-propagation neural network and support vector machines is described in this paper. A comparison between the performance of the described methods and some classical statistical methods (such as partial least squares and multiple linear regression) shows that MLT have significant advantages. Nowadays, the number of studies in medicinal chemistry that employ these techniques has considerably increased, in particular the use of support vector machines. The state of the art and the future trends of MLT applications encompass the use of these techniques to construct more reliable QSAR models. The models obtained from MLT can be used in virtual screening studies as well as filters to develop/discovery new chemicals. An important challenge in the drug design field is the prediction of pharmacokinetic and toxicity properties, which can avoid failures in the clinical phases. Therefore, this review provides a critical point of view on the main MLT and shows their potential ability as a valuable tool in drug design.

  8. Scaling Datalog for Machine Learning on Big Data

    CERN Document Server

    Bu, Yingyi; Carey, Michael J; Rosen, Joshua; Polyzotis, Neoklis; Condie, Tyson; Weimer, Markus; Ramakrishnan, Raghu

    2012-01-01

    In this paper, we present the case for a declarative foundation for data-intensive machine learning systems. Instead of creating a new system for each specific flavor of machine learning task, or hardcoding new optimizations, we argue for the use of recursive queries to program a variety of machine learning systems. By taking this approach, database query optimization techniques can be utilized to identify effective execution plans, and the resulting runtime plans can be executed on a single unified data-parallel query processing engine. As a proof of concept, we consider two programming models--Pregel and Iterative Map-Reduce-Update---from the machine learning domain, and show how they can be captured in Datalog, tuned for a specific task, and then compiled into an optimized physical plan. Experiments performed on a large computing cluster with real data demonstrate that this declarative approach can provide very good performance while offering both increased generality and programming ease.

  9. Performance of machine learning methods for classification tasks

    Directory of Open Access Journals (Sweden)

    B. Krithika

    2013-06-01

    Full Text Available In this paper, the performance of various machine learning methods on pattern classification and recognition tasks are proposed. The proposed method for evaluating performance will be based on the feature representation, feature selection and setting model parameters. The nature of the data, the methods of feature extraction and feature representation are discussed. The results of the Machine Learning algorithms on the classification task are analysed. The performance of Machine Learning methods on classifying Tamil word patterns, i.e., classification of noun and verbs are analysed.The software WEKA (data mining tool is used for evaluating the performance. WEKA has several machine learning algorithms like Bayes, Trees, Lazy, Rule based classifiers.

  10. Machine learning techniques in optical communication

    DEFF Research Database (Denmark)

    Zibar, Darko; Piels, Molly; Jones, Rasmus Thomas

    2015-01-01

    Techniques from the machine learning community are reviewed and employed for laser characterization, signal detection in the presence of nonlinear phase noise, and nonlinearity mitigation. Bayesian filtering and expectation maximization are employed within nonlinear state-space framework...

  11. Machine learning techniques in optical communication

    DEFF Research Database (Denmark)

    Zibar, Darko; Piels, Molly; Jones, Rasmus Thomas

    2016-01-01

    Machine learning techniques relevant for nonlinearity mitigation, carrier recovery, and nanoscale device characterization are reviewed and employed. Markov Chain Monte Carlo in combination with Bayesian filtering is employed within the nonlinear state-space framework and demonstrated for parameter...

  12. Lane Detection Based on Machine Learning Algorithm

    National Research Council Canada - National Science Library

    Chao Fan; Jingbo Xu; Shuai Di

    2013-01-01

    In order to improve accuracy and robustness of the lane detection in complex conditions, such as the shadows and illumination changing, a novel detection algorithm was proposed based on machine learning...

  13. Machine Learning Interface for Medical Image Analysis.

    Science.gov (United States)

    Zhang, Yi C; Kagen, Alexander C

    2016-10-11

    TensorFlow is a second-generation open-source machine learning software library with a built-in framework for implementing neural networks in wide variety of perceptual tasks. Although TensorFlow usage is well established with computer vision datasets, the TensorFlow interface with DICOM formats for medical imaging remains to be established. Our goal is to extend the TensorFlow API to accept raw DICOM images as input; 1513 DaTscan DICOM images were obtained from the Parkinson's Progression Markers Initiative (PPMI) database. DICOM pixel intensities were extracted and shaped into tensors, or n-dimensional arrays, to populate the training, validation, and test input datasets for machine learning. A simple neural network was constructed in TensorFlow to classify images into normal or Parkinson's disease groups. Training was executed over 1000 iterations for each cross-validation set. The gradient descent optimization and Adagrad optimization algorithms were used to minimize cross-entropy between the predicted and ground-truth labels. Cross-validation was performed ten times to produce a mean accuracy of 0.938 ± 0.047 (95 % CI 0.908-0.967). The mean sensitivity was 0.974 ± 0.043 (95 % CI 0.947-1.00) and mean specificity was 0.822 ± 0.207 (95 % CI 0.694-0.950). We extended the TensorFlow API to enable DICOM compatibility in the context of DaTscan image analysis. We implemented a neural network classifier that produces diagnostic accuracies on par with excellent results from previous machine learning models. These results indicate the potential role of TensorFlow as a useful adjunct diagnostic tool in the clinical setting.

  14. Implementing Machine Learning in the PCWG Tool

    Energy Technology Data Exchange (ETDEWEB)

    Clifton, Andrew; Ding, Yu; Stuart, Peter

    2016-12-13

    The Power Curve Working Group (www.pcwg.org) is an ad-hoc industry-led group to investigate the performance of wind turbines in real-world conditions. As part of ongoing experience-sharing exercises, machine learning has been proposed as a possible way to predict turbine performance. This presentation provides some background information about machine learning and how it might be implemented in the PCWG exercises.

  15. Development of Machine Learning Tools in ROOT

    Science.gov (United States)

    Gleyzer, S. V.; Moneta, L.; Zapata, Omar A.

    2016-10-01

    ROOT is a framework for large-scale data analysis that provides basic and advanced statistical methods used by the LHC experiments. These include machine learning algorithms from the ROOT-integrated Toolkit for Multivariate Analysis (TMVA). We present several recent developments in TMVA, including a new modular design, new algorithms for variable importance and cross-validation, interfaces to other machine-learning software packages and integration of TMVA with Jupyter, making it accessible with a browser.

  16. Photometric Supernova Classification with Machine Learning

    Science.gov (United States)

    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.

  17. Addressing uncertainty in atomistic machine learning

    DEFF Research Database (Denmark)

    Peterson, Andrew A.; Christensen, Rune; Khorshidi, Alireza

    2017-01-01

    Machine-learning regression has been demonstrated to precisely emulate the potential energy and forces that are output from more expensive electronic-structure calculations. However, to predict new regions of the potential energy surface, an assessment must be made of the credibility of the predi......Machine-learning regression has been demonstrated to precisely emulate the potential energy and forces that are output from more expensive electronic-structure calculations. However, to predict new regions of the potential energy surface, an assessment must be made of the credibility...... of the predictions. In this perspective, we address the types of errors that might arise in atomistic machine learning, the unique aspects of atomistic simulations that make machine-learning challenging, and highlight how uncertainty analysis can be used to assess the validity of machine-learning predictions. We...... suggest this will allow researchers to more fully use machine learning for the routine acceleration of large, high-accuracy, or extended-time simulations. In our demonstrations, we use a bootstrap ensemble of neural network-based calculators, and show that the width of the ensemble can provide an estimate...

  18. Addressing uncertainty in atomistic machine learning.

    Science.gov (United States)

    Peterson, Andrew A; Christensen, Rune; Khorshidi, Alireza

    2017-05-10

    Machine-learning regression has been demonstrated to precisely emulate the potential energy and forces that are output from more expensive electronic-structure calculations. However, to predict new regions of the potential energy surface, an assessment must be made of the credibility of the predictions. In this perspective, we address the types of errors that might arise in atomistic machine learning, the unique aspects of atomistic simulations that make machine-learning challenging, and highlight how uncertainty analysis can be used to assess the validity of machine-learning predictions. We suggest this will allow researchers to more fully use machine learning for the routine acceleration of large, high-accuracy, or extended-time simulations. In our demonstrations, we use a bootstrap ensemble of neural network-based calculators, and show that the width of the ensemble can provide an estimate of the uncertainty when the width is comparable to that in the training data. Intriguingly, we also show that the uncertainty can be localized to specific atoms in the simulation, which may offer hints for the generation of training data to strategically improve the machine-learned representation.

  19. Kernel Methods for Machine Learning with Life Science Applications

    DEFF Research Database (Denmark)

    Abrahamsen, Trine Julie

    Kernel methods refer to a family of widely used nonlinear algorithms for machine learning tasks like classification, regression, and feature extraction. By exploiting the so-called kernel trick straightforward extensions of classical linear algorithms are enabled as long as the data only appear...... models to kernel learning, and means for restoring the generalizability in both kernel Principal Component Analysis and the Support Vector Machine are proposed. Viability is proved on a wide range of benchmark machine learning data sets....... as innerproducts in the model formulation. This dissertation presents research on improving the performance of standard kernel methods like kernel Principal Component Analysis and the Support Vector Machine. Moreover, the goal of the thesis has been two-fold. The first part focuses on the use of kernel Principal...

  20. Large-scale Machine Learning in High-dimensional Datasets

    DEFF Research Database (Denmark)

    Hansen, Toke Jansen

    Over the last few decades computers have gotten to play an essential role in our daily life, and data is now being collected in various domains at a faster pace than ever before. This dissertation presents research advances in four machine learning fields that all relate to the challenges imposed...... are better at modeling local heterogeneities. In the field of machine learning for neuroimaging, we introduce learning protocols for real-time functional Magnetic Resonance Imaging (fMRI) that allow for dynamic intervention in the human decision process. Specifically, the model exploits the structure of f...

  1. Amplifying human ability through autonomics and machine learning in IMPACT

    Science.gov (United States)

    Dzieciuch, Iryna; Reeder, John; Gutzwiller, Robert; Gustafson, Eric; Coronado, Braulio; Martinez, Luis; Croft, Bryan; Lange, Douglas S.

    2017-05-01

    Amplifying human ability for controlling complex environments featuring autonomous units can be aided by learned models of human and system performance. In developing a command and control system that allows a small number of people to control a large number of autonomous teams, we employ an autonomics framework to manage the networks that represent mission plans and the networks that are composed of human controllers and their autonomous assistants. Machine learning allows us to build models of human and system performance useful for monitoring plans and managing human attention and task loads. Machine learning also aids in the development of tactics that human supervisors can successfully monitor through the command and control system.

  2. Uncertainty-Aware Estimation of Population Abundance using Machine Learning

    NARCIS (Netherlands)

    Boom, B.J.; Beauxis-Aussalet, E.M.A.L.; Hardman, L.; Fisher, R.B.

    2015-01-01

    Machine Learning is widely used for mining collections, such as images, sounds, or texts, by classifying their elements into categories. Automatic classication based on supervised learning requires groundtruth datasets for modeling the elements to classify, and for testing the quality of the classic

  3. Distributed Extreme Learning Machine for Nonlinear Learning over Network

    Directory of Open Access Journals (Sweden)

    Songyan Huang

    2015-02-01

    Full Text Available Distributed data collection and analysis over a network are ubiquitous, especially over a wireless sensor network (WSN. To our knowledge, the data model used in most of the distributed algorithms is linear. However, in real applications, the linearity of systems is not always guaranteed. In nonlinear cases, the single hidden layer feedforward neural network (SLFN with radial basis function (RBF hidden neurons has the ability to approximate any continuous functions and, thus, may be used as the nonlinear learning system. However, confined by the communication cost, using the distributed version of the conventional algorithms to train the neural network directly is usually prohibited. Fortunately, based on the theorems provided in the extreme learning machine (ELM literature, we only need to compute the output weights of the SLFN. Computing the output weights itself is a linear learning problem, although the input-output mapping of the overall SLFN is still nonlinear. Using the distributed algorithmto cooperatively compute the output weights of the SLFN, we obtain a distributed extreme learning machine (dELM for nonlinear learning in this paper. This dELM is applied to the regression problem and classification problem to demonstrate its effectiveness and advantages.

  4. Machine learning methods without tears: a primer for ecologists.

    Science.gov (United States)

    Olden, Julian D; Lawler, Joshua J; Poff, N LeRoy

    2008-06-01

    Machine learning methods, a family of statistical techniques with origins in the field of artificial intelligence, are recognized as holding great promise for the advancement of understanding and prediction about ecological phenomena. These modeling techniques are flexible enough to handle complex problems with multiple interacting elements and typically outcompete traditional approaches (e.g., generalized linear models), making them ideal for modeling ecological systems. Despite their inherent advantages, a review of the literature reveals only a modest use of these approaches in ecology as compared to other disciplines. One potential explanation for this lack of interest is that machine learning techniques do not fall neatly into the class of statistical modeling approaches with which most ecologists are familiar. In this paper, we provide an introduction to three machine learning approaches that can be broadly used by ecologists: classification and regression trees, artificial neural networks, and evolutionary computation. For each approach, we provide a brief background to the methodology, give examples of its application in ecology, describe model development and implementation, discuss strengths and weaknesses, explore the availability of statistical software, and provide an illustrative example. Although the ecological application of machine learning approaches has increased, there remains considerable skepticism with respect to the role of these techniques in ecology. Our review encourages a greater understanding of machin learning approaches and promotes their future application and utilization, while also providing a basis from which ecologists can make informed decisions about whether to select or avoid these approaches in their future modeling endeavors.

  5. MACHINE LEARNING TECHNIQUES USED IN BIG DATA

    Directory of Open Access Journals (Sweden)

    STEFANIA LOREDANA NITA

    2016-07-01

    Full Text Available The classical tools used in data analysis are not enough in order to benefit of all advantages of big data. The amount of information is too large for a complete investigation, and the possible connections and relations between data could be missed, because it is difficult or even impossible to verify all assumption over the information. Machine learning is a great solution in order to find concealed correlations or relationships between data, because it runs at scale machine and works very well with large data sets. The more data we have, the more the machine learning algorithm is useful, because it “learns” from the existing data and applies the found rules on new entries. In this paper, we present some machine learning algorithms and techniques used in big data.

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

    Science.gov (United States)

    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

  7. Machine Learning with Operational Costs

    CERN Document Server

    Tulabandhula, Theja

    2011-01-01

    This work concerns the way that statistical models are used to make decisions. In particular, we aim to merge the way estimation algorithms are designed with how they are used for a subsequent task. Our methodology considers the operational cost of carrying out a policy, based on a predictive model. The operational cost becomes a regularization term in the learning algorithm's objective function, allowing either an \\textit{optimistic} or \\textit{pessimistic} view of possible costs. Limiting the operational cost reduces the hypothesis space for the predictive model, and can thus improve generalization. We show that different types of operational problems can lead to the same type of restriction on the hypothesis space, namely the restriction to an intersection of an $\\ell_{q}$ ball with a halfspace. We bound the complexity of such hypothesis spaces by proposing a technique that involves counting integer points in polyhedrons.

  8. Model-Free Machine Learning in Biomedicine: Feasibility Study in Type 1 Diabetes.

    Directory of Open Access Journals (Sweden)

    Elena Daskalaki

    Full Text Available Although reinforcement learning (RL is suitable for highly uncertain systems, the applicability of this class of algorithms to medical treatment may be limited by the patient variability which dictates individualised tuning for their usually multiple algorithmic parameters. This study explores the feasibility of RL in the framework of artificial pancreas development for type 1 diabetes (T1D. In this approach, an Actor-Critic (AC learning algorithm is designed and developed for the optimisation of insulin infusion for personalised glucose regulation. AC optimises the daily basal insulin rate and insulin:carbohydrate ratio for each patient, on the basis of his/her measured glucose profile. Automatic, personalised tuning of AC is based on the estimation of information transfer (IT from insulin to glucose signals. Insulin-to-glucose IT is linked to patient-specific characteristics related to total daily insulin needs and insulin sensitivity (SI. The AC algorithm is evaluated using an FDA-accepted T1D simulator on a large patient database under a complex meal protocol, meal uncertainty and diurnal SI variation. The results showed that 95.66% of time was spent in normoglycaemia in the presence of meal uncertainty and 93.02% when meal uncertainty and SI variation were simultaneously considered. The time spent in hypoglycaemia was 0.27% in both cases. The novel tuning method reduced the risk of severe hypoglycaemia, especially in patients with low SI.

  9. Model-Free Machine Learning in Biomedicine: Feasibility Study in Type 1 Diabetes.

    Science.gov (United States)

    Daskalaki, Elena; Diem, Peter; Mougiakakou, Stavroula G

    2016-01-01

    Although reinforcement learning (RL) is suitable for highly uncertain systems, the applicability of this class of algorithms to medical treatment may be limited by the patient variability which dictates individualised tuning for their usually multiple algorithmic parameters. This study explores the feasibility of RL in the framework of artificial pancreas development for type 1 diabetes (T1D). In this approach, an Actor-Critic (AC) learning algorithm is designed and developed for the optimisation of insulin infusion for personalised glucose regulation. AC optimises the daily basal insulin rate and insulin:carbohydrate ratio for each patient, on the basis of his/her measured glucose profile. Automatic, personalised tuning of AC is based on the estimation of information transfer (IT) from insulin to glucose signals. Insulin-to-glucose IT is linked to patient-specific characteristics related to total daily insulin needs and insulin sensitivity (SI). The AC algorithm is evaluated using an FDA-accepted T1D simulator on a large patient database under a complex meal protocol, meal uncertainty and diurnal SI variation. The results showed that 95.66% of time was spent in normoglycaemia in the presence of meal uncertainty and 93.02% when meal uncertainty and SI variation were simultaneously considered. The time spent in hypoglycaemia was 0.27% in both cases. The novel tuning method reduced the risk of severe hypoglycaemia, especially in patients with low SI.

  10. Machine-learning techniques for building a diagnostic model for very mild dementia.

    Science.gov (United States)

    Chen, Rong; Herskovits, Edward H

    2010-08-01

    Many researchers have sought to construct diagnostic models to differentiate individuals with very mild dementia (VMD) from healthy elderly people, based on structural magnetic-resonance (MR) images. These models have, for the most part, been based on discriminant analysis or logistic regression, with few reports of alternative approaches. To determine the relative strengths of different approaches to analyzing structural MR data to distinguish people with VMD from normal elderly control subjects, we evaluated seven different classification approaches, each of which we used to generate a diagnostic model from a training data set acquired from 83 subjects (33 VMD and 50 control). We then evaluated each diagnostic model using an independent data set acquired from 30 subjects (13 VMD and 17 controls). We found that there were significant performance differences across these seven diagnostic models. Relative to the diagnostic models generated by discriminant analysis and logistic regression, the diagnostic models generated by other high-performance diagnostic-model-generation algorithms manifested increased generalizability when diagnostic models were generated from all atlas structures. Copyright 2010 Elsevier Inc. All rights reserved.

  11. Teraflop-scale Incremental Machine Learning

    CERN Document Server

    Özkural, Eray

    2011-01-01

    We propose a long-term memory design for artificial general intelligence based on Solomonoff's incremental machine learning methods. We use R5RS Scheme and its standard library with a few omissions as the reference machine. We introduce a Levin Search variant based on Stochastic Context Free Grammar together with four synergistic update algorithms that use the same grammar as a guiding probability distribution of programs. The update algorithms include adjusting production probabilities, re-using previous solutions, learning programming idioms and discovery of frequent subprograms. Experiments with two training sequences demonstrate that our approach to incremental learning is effective.

  12. Machine learning of network metrics in ATLAS Distributed Data Management

    CERN Document Server

    Lassnig, Mario; The ATLAS collaboration

    2017-01-01

    The increasing volume of physics data poses a critical challenge to the ATLAS experiment. In anticipation of high luminosity physics, automation of everyday data management tasks has become necessary. Previously many of these tasks required human decision-making and operation. Recent advances in hardware and software have made it possible to entrust more complicated duties to automated systems using models trained by machine learning algorithms. In this contribution we show results from one of our ongoing automation efforts that focuses on network metrics. First, we describe our machine learning framework built atop the ATLAS Analytics Platform. This framework can automatically extract and aggregate data, train models with various machine learning algorithms, and eventually score the resulting models and parameters. Second, we use these models to forecast metrics relevant for network-aware job scheduling and data brokering. We show the characteristics of the data and evaluate the forecasting accuracy of our m...

  13. An extreme learning machine model for the simulation of monthly mean streamflow water level in eastern Queensland.

    Science.gov (United States)

    Deo, Ravinesh C; Şahin, Mehmet

    2016-02-01

    A predictive model for streamflow has practical implications for understanding the drought hydrology, environmental monitoring and agriculture, ecosystems and resource management. In this study, the state-or-art extreme learning machine (ELM) model was utilized to simulate the mean streamflow water level (Q WL) for three hydrological sites in eastern Queensland (Gowrie Creek, Albert, and Mary River). The performance of the ELM model was benchmarked with the artificial neural network (ANN) model. The ELM model was a fast computational method using single-layer feedforward neural networks and randomly determined hidden neurons that learns the historical patterns embedded in the input variables. A set of nine predictors with the month (to consider the seasonality of Q WL); rainfall; Southern Oscillation Index; Pacific Decadal Oscillation Index; ENSO Modoki Index; Indian Ocean Dipole Index; and Nino 3.0, Nino 3.4, and Nino 4.0 sea surface temperatures (SSTs) were utilized. A selection of variables was performed using cross correlation with Q WL, yielding the best inputs defined by (month; P; Nino 3.0 SST; Nino 4.0 SST; Southern Oscillation Index (SOI); ENSO Modoki Index (EMI)) for Gowrie Creek, (month; P; SOI; Pacific Decadal Oscillation (PDO); Indian Ocean Dipole (IOD); EMI) for Albert River, and by (month; P; Nino 3.4 SST; Nino 4.0 SST; SOI; EMI) for Mary River site. A three-layer neuronal structure trialed with activation equations defined by sigmoid, logarithmic, tangent sigmoid, sine, hardlim, triangular, and radial basis was utilized, resulting in optimum ELM model with hard-limit function and architecture 6-106-1 (Gowrie Creek), 6-74-1 (Albert River), and 6-146-1 (Mary River). The alternative ELM and ANN models with two inputs (month and rainfall) and the ELM model with all nine inputs were also developed. The performance was evaluated using the mean absolute error (MAE), coefficient of determination (r (2)), Willmott's Index (d), peak deviation (P dv), and Nash

  14. Measuring and Modelling Delays in Robot Manipulators for Temporally Precise Control using Machine Learning.

    OpenAIRE

    Andersen, Thomas Timm; Amor, Heni Ben; Andersen, Nils Axel; Ravn, Ole

    2015-01-01

    Latencies and delays play an important role in temporally precise robot control. During dynamic tasks in particular, a robot has to account for inherent delays to reach manipulated objects in time. The different types of occurring delays are typically convoluted and thereby hard to measure and separate. In this paper, we present a data-driven methodology for separating and modelling inherent delays during robot control. We show how both actuation and response delays can be modelled using mode...

  15. Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets

    Directory of Open Access Journals (Sweden)

    Periwal Vinita

    2011-11-01

    Full Text Available Abstract Background Tuberculosis is a contagious disease caused by Mycobacterium tuberculosis (Mtb, affecting more than two billion people around the globe and is one of the major causes of morbidity and mortality in the developing world. Recent reports suggest that Mtb has been developing resistance to the widely used anti-tubercular drugs resulting in the emergence and spread of multi drug-resistant (MDR and extensively drug-resistant (XDR strains throughout the world. In view of this global epidemic, there is an urgent need to facilitate fast and efficient lead identification methodologies. Target based screening of large compound libraries has been widely used as a fast and efficient approach for lead identification, but is restricted by the knowledge about the target structure. Whole organism screens on the other hand are target-agnostic and have been now widely employed as an alternative for lead identification but they are limited by the time and cost involved in running the screens for large compound libraries. This could be possibly be circumvented by using computational approaches to prioritize molecules for screening programmes. Results We utilized physicochemical properties of compounds to train four supervised classifiers (Naïve Bayes, Random Forest, J48 and SMO on three publicly available bioassay screens of Mtb inhibitors and validated the robustness of the predictive models using various statistical measures. Conclusions This study is a comprehensive analysis of high-throughput bioassay data for anti-tubercular activity and the application of machine learning approaches to create target-agnostic predictive models for anti-tubercular agents.

  16. Prediction of antiepileptic drug treatment outcomes using machine learning

    Science.gov (United States)

    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.

  17. A review of supervised machine learning applied to ageing research.

    Science.gov (United States)

    Fabris, Fabio; Magalhães, João Pedro de; Freitas, Alex A

    2017-04-01

    Broadly speaking, supervised machine learning is the computational task of learning correlations between variables in annotated data (the training set), and using this information to create a predictive model capable of inferring annotations for new data, whose annotations are not known. Ageing is a complex process that affects nearly all animal species. This process can be studied at several levels of abstraction, in different organisms and with different objectives in mind. Not surprisingly, the diversity of the supervised machine learning algorithms applied to answer biological questions reflects the complexities of the underlying ageing processes being studied. Many works using supervised machine learning to study the ageing process have been recently published, so it is timely to review these works, to discuss their main findings and weaknesses. In summary, the main findings of the reviewed papers are: the link between specific types of DNA repair and ageing; ageing-related proteins tend to be highly connected and seem to play a central role in molecular pathways; ageing/longevity is linked with autophagy and apoptosis, nutrient receptor genes, and copper and iron ion transport. Additionally, several biomarkers of ageing were found by machine learning. Despite some interesting machine learning results, we also identified a weakness of current works on this topic: only one of the reviewed papers has corroborated the computational results of machine learning algorithms through wet-lab experiments. In conclusion, supervised machine learning has contributed to advance our knowledge and has provided novel insights on ageing, yet future work should have a greater emphasis in validating the predictions.

  18. CHISSL: A Human-Machine Collaboration Space for Unsupervised Learning

    Energy Technology Data Exchange (ETDEWEB)

    Arendt, Dustin L.; Komurlu, Caner; Blaha, Leslie M.

    2017-07-14

    We developed CHISSL, a human-machine interface that utilizes supervised machine learning in an unsupervised context to help the user group unlabeled instances by her own mental model. The user primarily interacts via correction (moving a misplaced instance into its correct group) or confirmation (accepting that an instance is placed in its correct group). Concurrent with the user's interactions, CHISSL trains a classification model guided by the user's grouping of the data. It then predicts the group of unlabeled instances and arranges some of these alongside the instances manually organized by the user. We hypothesize that this mode of human and machine collaboration is more effective than Active Learning, wherein the machine decides for itself which instances should be labeled by the user. We found supporting evidence for this hypothesis in a pilot study where we applied CHISSL to organize a collection of handwritten digits.

  19. Single-Machine Scheduling with Accelerating Learning Effects

    Directory of Open Access Journals (Sweden)

    T. C. E. Cheng

    2013-01-01

    Full Text Available Scheduling with learning effects has been widely studied. However, there are situations where the learning effect might accelerate. In this paper, we propose a new model where the learning effect accelerates as time goes by. We derive the optimal solutions for the single-machine problems to minimize the makespan, total completion time, total weighted completion time, maximum lateness, maximum tardiness, and total tardiness.

  20. Nonlinear Model Predictive Control of A Gasoline HCCI Engine Using Extreme Learning Machines

    OpenAIRE

    Janakiraman, Vijay Manikandan; Nguyen, XuanLong; Assanis, Dennis

    2015-01-01

    Homogeneous charge compression ignition (HCCI) is a futuristic combustion technology that operates with a high fuel efficiency and reduced emissions. HCCI combustion is characterized by complex nonlinear dynamics which necessitates a model based control approach for automotive application. HCCI engine control is a nonlinear, multi-input multi-output problem with state and actuator constraints which makes controller design a challenging task. Typical HCCI controllers make use of a first princi...

  1. Miscanthus spatial location as seen by farmers: A machine learning approach to model real criteria

    OpenAIRE

    Martin, Laura; Wohlfahrt, Julie

    2016-01-01

    Highlights • Farmers' criteria to locate real miscanthus fields were investigated. • We modelled agronomic, morphological and contextual field characteristics. • Boosted regression tree method used to upscale from supply area to the regional level. • Small and complex-shaped farmer's blocks resulted to be relevant to locate miscanthus. • Our approach provided miscanthus location probabilities from farm to landscape levels.   Abstract. Miscanthus is an emerging crop...

  2. Experiments using machine learning to approximate likelihood ratios for mixture models

    Science.gov (United States)

    Cranmer, K.; Pavez, J.; Louppe, G.; Brooks, W. K.

    2016-10-01

    Likelihood ratio tests are a key tool in many fields of science. In order to evaluate the likelihood ratio the likelihood function is needed. However, it is common in fields such as High Energy Physics to have complex simulations that describe the distribution while not having a description of the likelihood that can be directly evaluated. In this setting it is impossible or computationally expensive to evaluate the likelihood. It is, however, possible to construct an equivalent version of the likelihood ratio that can be evaluated by using discriminative classifiers. We show how this can be used to approximate the likelihood ratio when the underlying distribution is a weighted sum of probability distributions (e.g. signal plus background model). We demonstrate how the results can be considerably improved by decomposing the ratio and use a set of classifiers in a pairwise manner on the components of the mixture model and how this can be used to estimate the unknown coefficients of the model, such as the signal contribution.

  3. A Machine Learning Perspective on Predictive Coding with PAQ

    CERN Document Server

    Knoll, Byron

    2011-01-01

    PAQ8 is an open source lossless data compression algorithm that currently achieves the best compression rates on many benchmarks. This report presents a detailed description of PAQ8 from a statistical machine learning perspective. It shows that it is possible to understand some of the modules of PAQ8 and use this understanding to improve the method. However, intuitive statistical explanations of the behavior of other modules remain elusive. We hope the description in this report will be a starting point for discussions that will increase our understanding, lead to improvements to PAQ8, and facilitate a transfer of knowledge from PAQ8 to other machine learning methods, such a recurrent neural networks and stochastic memoizers. Finally, the report presents a broad range of new applications of PAQ to machine learning tasks including language modeling and adaptive text prediction, adaptive game playing, classification, and compression using features from the field of deep learning.

  4. Proceedings of the IEEE Machine Learning for Signal Processing XVII

    DEFF Research Database (Denmark)

    , and two papers from the winners of the Data Analysis Competition. The program included papers in the following areas: genomic signal processing, pattern recognition and classification, image and video processing, blind signal processing, models, learning algorithms, and applications of machine learning......The seventeenth of a series of workshops sponsored by the IEEE Signal Processing Society and organized by the Machine Learning for Signal Processing Technical Committee (MLSP-TC). The field of machine learning has matured considerably in both methodology and real-world application domains and has....... The program featured a Special Session on Genomic Signal Processing, chaired by Prof. Man-Wai Mak from Hong Kong Polytechnic University, Hong Kong. The session included four refereed papers by leading experts in the field. We also continued the tradition of the Data Analysis Competition thanks to the efforts...

  5. Combining Metabolite-Based Pharmacophores with Bayesian Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.

    Directory of Open Access Journals (Sweden)

    Sean Ekins

    Full Text Available Integrated computational approaches for Mycobacterium tuberculosis (Mtb are useful to identify new molecules that could lead to future tuberculosis (TB drugs. Our approach uses information derived from the TBCyc pathway and genome database, the Collaborative Drug Discovery TB database combined with 3D pharmacophores and dual event Bayesian models of whole-cell activity and lack of cytotoxicity. We have prioritized a large number of molecules that may act as mimics of substrates and metabolites in the TB metabolome. We computationally searched over 200,000 commercial molecules using 66 pharmacophores based on substrates and metabolites from Mtb and further filtering with Bayesian models. We ultimately tested 110 compounds in vitro that resulted in two compounds of interest, BAS 04912643 and BAS 00623753 (MIC of 2.5 and 5 μg/mL, respectively. These molecules were used as a starting point for hit-to-lead optimization. The most promising class proved to be the quinoxaline di-N-oxides, evidenced by transcriptional profiling to induce mRNA level perturbations most closely resembling known protonophores. One of these, SRI58 exhibited an MIC = 1.25 μg/mL versus Mtb and a CC50 in Vero cells of >40 μg/mL, while featuring fair Caco-2 A-B permeability (2.3 x 10-6 cm/s, kinetic solubility (125 μM at pH 7.4 in PBS and mouse metabolic stability (63.6% remaining after 1 h incubation with mouse liver microsomes. Despite demonstration of how a combined bioinformatics/cheminformatics approach afforded a small molecule with promising in vitro profiles, we found that SRI58 did not exhibit quantifiable blood levels in mice.

  6. Optimal sensor placement using machine learning

    CERN Document Server

    Semaan, Richard

    2016-01-01

    A new method for optimal sensor placement based on variable importance of machine learned models is proposed. With its simplicity, adaptivity, and low computational cost, the method offers many advantages over existing approaches. The new method is implemented on an airfoil equipped with a Coanda actuator. The analysis is based on flow field data obtained from 2D unsteady Reynolds averaged Navier-Stokes (URANS) simulations with different actuation conditions. The optimal sensor locations is compared against the current de-facto standard of maximum POD modal amplitude location, and against a brute force approach that scans all possible sensor combinations. The results show that both the flow conditions and the type of sensor have an effect on the optimal sensor placement, whereas the choice of the response function appears to have limited influence.

  7. Machine learning for identifying botnet network traffic

    DEFF Research Database (Denmark)

    Stevanovic, Matija; Pedersen, Jens Myrup

    2013-01-01

    . Due to promise of non-invasive and resilient detection, botnet detection based on network traffic analysis has drawn a special attention of the research community. Furthermore, many authors have turned their attention to the use of machine learning algorithms as the mean of inferring botnet......-related knowledge from the monitored traffic. This paper presents a review of contemporary botnet detection methods that use machine learning as a tool of identifying botnet-related traffic. The main goal of the paper is to provide a comprehensive overview on the field by summarizing current scientific efforts....... The contribution of the paper is three-fold. First, the paper provides a detailed insight on the existing detection methods by investigating which bot-related heuristic were assumed by the detection systems and how different machine learning techniques were adapted in order to capture botnet-related knowledge...

  8. Machine learning paradigms applications in recommender systems

    CERN Document Server

    Lampropoulos, Aristomenis S

    2015-01-01

    This timely book presents Applications in Recommender Systems which are making recommendations using machine learning algorithms trained via examples of content the user likes or dislikes. Recommender systems built on the assumption of availability of both positive and negative examples do not perform well when negative examples are rare. It is exactly this problem that the authors address in the monograph at hand. Specifically, the books approach is based on one-class classification methodologies that have been appearing in recent machine learning research. The blending of recommender systems and one-class classification provides a new very fertile field for research, innovation and development with potential applications in “big data” as well as “sparse data” problems. The book will be useful to researchers, practitioners and graduate students dealing with problems of extensive and complex data. It is intended for both the expert/researcher in the fields of Pattern Recognition, Machine Learning and ...

  9. Unsupervised Machine Learning for Developing Personalised Behaviour Models Using Activity Data

    Directory of Open Access Journals (Sweden)

    Laura Fiorini

    2017-05-01

    Full Text Available The goal of this study is to address two major issues that undermine the large scale deployment of smart home sensing solutions in people’s homes. These include the costs associated with having to install and maintain a large number of sensors, and the pragmatics of annotating numerous sensor data streams for activity classification. Our aim was therefore to propose a method to describe individual users’ behavioural patterns starting from unannotated data analysis of a minimal number of sensors and a ”blind” approach for activity recognition. The methodology included processing and analysing sensor data from 17 older adults living in community-based housing to extract activity information at different times of the day. The findings illustrate that 55 days of sensor data from a sensor configuration comprising three sensors, and extracting appropriate features including a “busyness” measure, are adequate to build robust models which can be used for clustering individuals based on their behaviour patterns with a high degree of accuracy (>85%. The obtained clusters can be used to describe individual behaviour over different times of the day. This approach suggests a scalable solution to support optimising the personalisation of care by utilising low-cost sensing and analysis. This approach could be used to track a person’s needs over time and fine-tune their care plan on an ongoing basis in a cost-effective manner.

  10. A Machine-learning Model to Separate Stars and Galaxies in iPTF Images

    Science.gov (United States)

    Miller, Adam; Kulkarni, Maya; Prince, Thomas A.; Intermediate Palomar Transient Factory

    2016-01-01

    The Intermediate Palomar Transient Factory (iPTF) is a dedicated time-domain survey optimized for the rapid characterization of fast transients. While significant efforts have been devoted to the development of software that quickly and reliably identifies new transients, there are currently no mechanisms to automatically classify these sources. The first component in deriving a classification is understanding whether or not the newly discovered transient is galactic or extragalactic in its origin. Here, we present our development of a new framework for classifying sources in iPTF reference images as either stars or galaxies. The framework utilizes the random forest algorithm and is trained with nearly 3 million sources that have Sloan Digital Sky Survey (SDSS) spectra. The final optimized model achieves a cross-validation accuracy of ~96%, which represents a significant improvement over the automated classification provided by the SExtractor algorithm. This accuracy, while slightly worse than that provided by the SDSS photometric classifier, can be extended over the entire iPTF footprint, which covers >5000 deg^2 that have not been imaged by SDSS. Associating transients with galactic or extragalactic origin is the first step in delivering automated classifications of newly discovered transients.

  11. Tracking medical genetic literature through machine learning.

    Science.gov (United States)

    Bornstein, Aaron T; McLoughlin, Matthew H; Aguilar, Jesus; Wong, Wendy S W; Solomon, Benjamin D

    2016-08-01

    There has been remarkable progress in identifying the causes of genetic conditions as well as understanding how changes in specific genes cause disease. Though difficult (and often superficial) to parse, an interesting tension involves emphasis on basic research aimed to dissect normal and abnormal biology versus more clearly clinical and therapeutic investigations. To examine one facet of this question and to better understand progress in Mendelian-related research, we developed an algorithm that classifies medical literature into three categories (Basic, Clinical, and Management) and conducted a retrospective analysis. We built a supervised machine learning classification model using the Azure Machine Learning (ML) Platform and analyzed the literature (1970-2014) from NCBI's Entrez Gene2Pubmed Database (http://www.ncbi.nlm.nih.gov/gene) using genes from the NHGRI's Clinical Genomics Database (http://research.nhgri.nih.gov/CGD/). We applied our model to 376,738 articles: 288,639 (76.6%) were classified as Basic, 54,178 (14.4%) as Clinical, and 24,569 (6.5%) as Management. The average classification accuracy was 92.2%. The rate of Clinical publication was significantly higher than Basic or Management. The rate of publication of article types differed significantly when divided into key eras: Human Genome Project (HGP) planning phase (1984-1990); HGP launch (1990) to publication (2001); following HGP completion to the "Next Generation" advent (2009); the era following 2009. In conclusion, in addition to the findings regarding the pace and focus of genetic progress, our algorithm produced a database that can be used in a variety of contexts including automating the identification of management-related literature.

  12. Oceanic eddy detection and lifetime forecast using machine learning methods

    Science.gov (United States)

    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.

  13. Induction and physical theory formation by Machine Learning

    CERN Document Server

    Svozil, Alexander

    2016-01-01

    Machine learning presents a general, systematic framework for the generation of formal theoretical models for physical description and prediction. Tentatively standard linear modeling techniques are reviewed; followed by a brief discussion of generalizations to deep forward networks for approximating nonlinear phenomena.

  14. Machine Learning Principles Can Improve Hip Fracture Prediction

    DEFF Research Database (Denmark)

    Kruse, Christian; Eiken, Pia; Vestergaard, Peter

    2017-01-01

    Apply machine learning principles to predict hip fractures and estimate predictor importance in Dual-energy X-ray absorptiometry (DXA)-scanned men and women. Dual-energy X-ray absorptiometry data from two Danish regions between 1996 and 2006 were combined with national Danish patient data.......89 [0.82; 0.95], but with poor calibration in higher probabilities. A ten predictor subset (BMD, biochemical cholesterol and liver function tests, penicillin use and osteoarthritis diagnoses) achieved a test AUC of 0.86 [0.78; 0.94] using an "xgbTree" model. Machine learning can improve hip fracture...... prediction beyond logistic regression using ensemble models. Compiling data from international cohorts of longer follow-up and performing similar machine learning procedures has the potential to further improve discrimination and calibration....

  15. Machine Learning: A Crucial Tool for Sensor Design

    Directory of Open Access Journals (Sweden)

    Weixiang Zhao

    2008-12-01

    Full Text Available Sensors have been widely used for disease diagnosis, environmental quality monitoring, food quality control, industrial process analysis and control, and other related fields. As a key tool for sensor data analysis, machine learning is becoming a core part of novel sensor design. Dividing a complete machine learning process into three steps: data pre-treatment, feature extraction and dimension reduction, and system modeling, this paper provides a review of the methods that are widely used for each step. For each method, the principles and the key issues that affect modeling results are discussed. After reviewing the potential problems in machine learning processes, this paper gives a summary of current algorithms in this field and provides some feasible directions for future studies.

  16. Machine Learning Optimization of Evolvable Artificial Cells

    DEFF Research Database (Denmark)

    Caschera, F.; Rasmussen, S.; Hanczyc, M.

    2011-01-01

    can be explored. A machine learning approach (Evo-DoE) could be applied to explore this experimental space and define optimal interactions according to a specific fitness function. Herein an implementation of an evolutionary design of experiments to optimize chemical and biochemical systems based...... on a machine learning process is presented. The optimization proceeds over generations of experiments in iterative loop until optimal compositions are discovered. The fitness function is experimentally measured every time the loop is closed. Two examples of complex systems, namely a liposomal drug formulation...

  17. Paradigms for Realizing Machine Learning Algorithms.

    Science.gov (United States)

    Agneeswaran, Vijay Srinivas; Tonpay, Pranay; Tiwary, Jayati

    2013-12-01

    The article explains the three generations of machine learning algorithms-with all three trying to operate on big data. The first generation tools are SAS, SPSS, etc., while second generation realizations include Mahout and RapidMiner (that work over Hadoop), and the third generation paradigms include Spark and GraphLab, among others. The essence of the article is that for a number of machine learning algorithms, it is important to look beyond the Hadoop's Map-Reduce paradigm in order to make them work on big data. A number of promising contenders have emerged in the third generation that can be exploited to realize deep analytics on big data.

  18. Machine learning methods for nanolaser characterization

    CERN Document Server

    Zibar, Darko; Winther, Ole; Moerk, Jesper; Schaeffer, Christian

    2016-01-01

    Nanocavity lasers, which are an integral part of an on-chip integrated photonic network, are setting stringent requirements on the sensitivity of the techniques used to characterize the laser performance. Current characterization tools cannot provide detailed knowledge about nanolaser noise and dynamics. In this progress article, we will present tools and concepts from the Bayesian machine learning and digital coherent detection that offer novel approaches for highly-sensitive laser noise characterization and inference of laser dynamics. The goal of the paper is to trigger new research directions that combine the fields of machine learning and nanophotonics for characterizing nanolasers and eventually integrated photonic networks

  19. A Machine Learning Based Framework for Adaptive Mobile Learning

    Science.gov (United States)

    Al-Hmouz, Ahmed; Shen, Jun; Yan, Jun

    Advances in wireless technology and handheld devices have created significant interest in mobile learning (m-learning) in recent years. Students nowadays are able to learn anywhere and at any time. Mobile learning environments must also cater for different user preferences and various devices with limited capability, where not all of the information is relevant and critical to each learning environment. To address this issue, this paper presents a framework that depicts the process of adapting learning content to satisfy individual learner characteristics by taking into consideration his/her learning style. We use a machine learning based algorithm for acquiring, representing, storing, reasoning and updating each learner acquired profile.

  20. Fast and scalable prediction of local energy at grain boundaries: machine-learning based modeling of first-principles calculations

    Science.gov (United States)

    Tamura, Tomoyuki; Karasuyama, Masayuki; Kobayashi, Ryo; Arakawa, Ryuichi; Shiihara, Yoshinori; Takeuchi, Ichiro

    2017-10-01

    We propose a new scheme based on machine learning for the efficient screening in grain-boundary (GB) engineering. A set of results obtained from first-principles calculations based on density functional theory (DFT) for a small number of GB systems is used as a training data set. In our scheme, by partitioning the total energy into atomic energies using a local-energy analysis scheme, we can increase the training data set significantly. We use atomic radial distribution functions and additional structural features as atom descriptors to predict atomic energies and GB energies simultaneously using the least absolute shrinkage and selection operator, which is a recent standard regression technique in statistical machine learning. In the test study with fcc-Al [110] symmetric tilt GBs, we could achieve enough predictive accuracy to understand energy changes at and near GBs at a glance, even if we collected training data from only 10 GB systems. The present scheme can emulate time-consuming DFT calculations for large GB systems with negligible computational costs, and thus enable the fast screening of possible alternative GB systems.

  1. Machine Learning and Conflict Prediction: A Use Case

    Directory of Open Access Journals (Sweden)

    Chris Perry

    2013-10-01

    Full Text Available For at least the last two decades, the international community in general and the United Nations specifically have attempted to develop robust, accurate and effective conflict early warning system for conflict prevention. One potential and promising component of integrated early warning systems lies in the field of machine learning. This paper aims at giving conflict analysis a basic understanding of machine learning methodology as well as to test the feasibility and added value of such an approach. The paper finds that the selection of appropriate machine learning methodologies can offer substantial improvements in accuracy and performance. It also finds that even at this early stage in testing machine learning on conflict prediction, full models offer more predictive power than simply using a prior outbreak of violence as the leading indicator of current violence. This suggests that a refined data selection methodology combined with strategic use of machine learning algorithms could indeed offer a significant addition to the early warning toolkit. Finally, the paper suggests a number of steps moving forward to improve upon this initial test methodology.

  2. Machine learning in cell biology - teaching computers to recognize phenotypes.

    Science.gov (United States)

    Sommer, Christoph; Gerlich, Daniel W

    2013-12-15

    Recent advances in microscope automation provide new opportunities for high-throughput cell biology, such as image-based screening. High-complex image analysis tasks often make the implementation of static and predefined processing rules a cumbersome effort. Machine-learning methods, instead, seek to use intrinsic data structure, as well as the expert annotations of biologists to infer models that can be used to solve versatile data analysis tasks. Here, we explain how machine-learning methods work and what needs to be considered for their successful application in cell biology. We outline how microscopy images can be converted into a data representation suitable for machine learning, and then introduce various state-of-the-art machine-learning algorithms, highlighting recent applications in image-based screening. Our Commentary aims to provide the biologist with a guide to the application of machine learning to microscopy assays and we therefore include extensive discussion on how to optimize experimental workflow as well as the data analysis pipeline.

  3. Machine learning with quantum relative entropy

    Energy Technology Data Exchange (ETDEWEB)

    Tsuda, Koji [Max Planck Institute for Biological Cybernetics, Spemannstr. 38, Tuebingen, 72076 (Germany)], E-mail: koji.tsuda@tuebingen.mpg.de

    2009-12-01

    Density matrices are a central tool in quantum physics, but it is also used in machine learning. A positive definite matrix called kernel matrix is used to represent the similarities between examples. Positive definiteness assures that the examples are embedded in an Euclidean space. When a positive definite matrix is learned from data, one has to design an update rule that maintains the positive definiteness. Our update rule, called matrix exponentiated gradient update, is motivated by the quantum relative entropy. Notably, the relative entropy is an instance of Bregman divergences, which are asymmetric distance measures specifying theoretical properties of machine learning algorithms. Using the calculus commonly used in quantum physics, we prove an upperbound of the generalization error of online learning.

  4. A Comparison Study of Extreme Learning Machine and Least Squares Support Vector Machine for Structural Impact Localization

    OpenAIRE

    Qingsong Xu

    2014-01-01

    Extreme learning machine (ELM) is a learning algorithm for single-hidden layer feedforward neural network dedicated to an extremely fast learning. However, the performance of ELM in structural impact localization is unknown yet. In this paper, a comparison study of ELM with least squares support vector machine (LSSVM) is presented for the application on impact localization of a plate structure with surface-mounted piezoelectric sensors. Both basic and kernel-based ELM regression models have b...

  5. Classifying smoking urges via machine learning.

    Science.gov (United States)

    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

  6. Data Mining and Machine Learning in Astronomy

    CERN Document Server

    Ball, Nicholas M

    2009-01-01

    We review the current state of data mining and machine learning in Astronomy. 'Data Mining' can have a somewhat mixed connotation from the point of view of a researcher in this field. On the one hand, it is a powerful approach, holding the potential to fully exploit the exponentially increasing amount of available data, which promises almost limitless scientific advances. On the other, it can be the application of black-box computing algorithms that at best give little physical insight, and at worst provide questionable results. Here, we give an overview of the entire data mining process, from data collection through the interpretation of results. We cover common machine learning algorithms, such as artificial neural networks and support vector machines; applications from a broad range of Astronomy, with an emphasis on those where data mining resulted in improved physical insights, and important current and future directions, including the construction of full probability density functions, parallel algorithm...

  7. Tracking by Machine Learning Methods

    CERN Document Server

    Jofrehei, Arash

    2015-01-01

    Current track reconstructing methods start with two points and then for each layer loop through all possible hits to find proper hits to add to that track. Another idea would be to use this large number of already reconstructed events and/or simulated data and train a machine on this data to find tracks given hit pixels. Training time could be long but real time tracking is really fast Simulation might not be as realistic as real data but tacking has been done for that with 100 percent efficiency while by using real data we would probably be limited to current efficiency.

  8. Feasibility of Active Machine Learning for Multiclass Compound Classification.

    Science.gov (United States)

    Lang, Tobias; Flachsenberg, Florian; von Luxburg, Ulrike; Rarey, Matthias

    2016-01-25

    A common task in the hit-to-lead process is classifying sets of compounds into multiple, usually structural classes, which build the groundwork for subsequent SAR studies. Machine learning techniques can be used to automate this process by learning classification models from training compounds of each class. Gathering class information for compounds can be cost-intensive as the required data needs to be provided by human experts or experiments. This paper studies whether active machine learning can be used to reduce the required number of training compounds. Active learning is a machine learning method which processes class label data in an iterative fashion. It has gained much attention in a broad range of application areas. In this paper, an active learning method for multiclass compound classification is proposed. This method selects informative training compounds so as to optimally support the learning progress. The combination with human feedback leads to a semiautomated interactive multiclass classification procedure. This method was investigated empirically on 15 compound classification tasks containing 86-2870 compounds in 3-38 classes. The empirical results show that active learning can solve these classification tasks using 10-80% of the data which would be necessary for standard learning techniques.

  9. Parallelization of TMVA Machine Learning Algorithms

    CERN Document Server

    Hajili, Mammad

    2017-01-01

    This report reflects my work on Parallelization of TMVA Machine Learning Algorithms integrated to ROOT Data Analysis Framework during summer internship at CERN. The report consists of 4 impor- tant part - data set used in training and validation, algorithms that multiprocessing applied on them, parallelization techniques and re- sults of execution time changes due to number of workers.

  10. Machine learning approximation techniques using dual trees

    OpenAIRE

    Ergashbaev, Denis

    2015-01-01

    This master thesis explores a dual-tree framework as applied to a particular class of machine learning problems that are collectively referred to as generalized n-body problems. It builds a new algorithm on top of it and improves existing Boosted OGE classifier.

  11. The ATLAS Higgs Machine Learning Challenge

    CERN Document Server

    Cowan, Glen; The ATLAS collaboration; Bourdarios, Claire

    2015-01-01

    High Energy Physics has been using Machine Learning techniques (commonly known as Multivariate Analysis) since the 1990s with Artificial Neural Net and more recently with Boosted Decision Trees, Random Forest etc. Meanwhile, Machine Learning has become a full blown field of computer science. With the emergence of Big Data, data scientists are developing new Machine Learning algorithms to extract meaning from large heterogeneous data. HEP has exciting and difficult problems like the extraction of the Higgs boson signal, and at the same time data scientists have advanced algorithms: the goal of the HiggsML project was to bring the two together by a “challenge”: participants from all over the world and any scientific background could compete online to obtain the best Higgs to tau tau signal significance on a set of ATLAS fully simulated Monte Carlo signal and background. Instead of HEP physicists browsing through machine learning papers and trying to infer which new algorithms might be useful for HEP, then c...

  12. Extracting meaning from audio signals - a machine learning approach

    DEFF Research Database (Denmark)

    Larsen, Jan

    2007-01-01

    * Machine learning framework for sound search * Genre classification * Music and audio separation * Wind noise suppression......* Machine learning framework for sound search * Genre classification * Music and audio separation * Wind noise suppression...

  13. Extracting meaning from audio signals - a machine learning approach

    DEFF Research Database (Denmark)

    Larsen, Jan

    2007-01-01

    * Machine learning framework for sound search * Genre classification * Music and audio separation * Wind noise suppression......* Machine learning framework for sound search * Genre classification * Music and audio separation * Wind noise suppression...

  14. Advances in independent component analysis and learning machines

    CERN Document Server

    Bingham, Ella; Laaksonen, Jorma; Lampinen, Jouko

    2015-01-01

    In honour of Professor Erkki Oja, one of the pioneers of Independent Component Analysis (ICA), this book reviews key advances in the theory and application of ICA, as well as its influence on signal processing, pattern recognition, machine learning, and data mining. Examples of topics which have developed from the advances of ICA, which are covered in the book are: A unifying probabilistic model for PCA and ICA Optimization methods for matrix decompositions Insights into the FastICA algorithmUnsupervised deep learning Machine vision and image retrieval A review of developments in the t

  15. Predicting single-molecule conductance through machine learning

    Science.gov (United States)

    Lanzillo, Nicholas A.; Breneman, Curt M.

    2016-10-01

    We present a robust machine learning model that is trained on the experimentally determined electrical conductance values of approximately 120 single-molecule junctions used in scanning tunnelling microscope molecular break junction (STM-MBJ) experiments. Quantum mechanical, chemical, and topological descriptors are used to correlate each molecular structure with a conductance value, and the resulting machine-learning model can predict the corresponding value of conductance with correlation coefficients of r 2 = 0.95 for the training set and r 2 = 0.78 for a blind testing set. While neglecting entirely the effects of the metal contacts, this work demonstrates that single molecule conductance can be qualitatively correlated with a number of molecular descriptors through a suitably trained machine learning model. The dominant features in the machine learning model include those based on the electronic wavefunction, the geometry/topology of the molecule as well as the surface chemistry of the molecule. This model can be used to identify promising molecular structures for use in single-molecule electronic circuits and can guide synthesis and experiments in the future.

  16. A robust hybrid model integrating enhanced inputs based extreme learning machine with PLSR (PLSR-EIELM) and its application to intelligent measurement.

    Science.gov (United States)

    He, Yan-Lin; Geng, Zhi-Qiang; Xu, Yuan; Zhu, Qun-Xiong

    2015-09-01

    In this paper, a robust hybrid model integrating an enhanced inputs based extreme learning machine with the partial least square regression (PLSR-EIELM) was proposed. The proposed PLSR-EIELM model can overcome two main flaws in the extreme learning machine (ELM), i.e. the intractable problem in determining the optimal number of the hidden layer neurons and the over-fitting phenomenon. First, a traditional extreme learning machine (ELM) is selected. Second, a method of randomly assigning is applied to the weights between the input layer and the hidden layer, and then the nonlinear transformation for independent variables can be obtained from the output of the hidden layer neurons. Especially, the original input variables are regarded as enhanced inputs; then the enhanced inputs and the nonlinear transformed variables are tied together as the whole independent variables. In this way, the PLSR can be carried out to identify the PLS components not only from the nonlinear transformed variables but also from the original input variables, which can remove the correlation among the whole independent variables and the expected outputs. Finally, the optimal relationship model of the whole independent variables with the expected outputs can be achieved by using PLSR. Thus, the PLSR-EIELM model is developed. Then the PLSR-EIELM model served as an intelligent measurement tool for the key variables of the Purified Terephthalic Acid (PTA) process and the High Density Polyethylene (HDPE) process. The experimental results show that the predictive accuracy of PLSR-EIELM is stable, which indicate that PLSR-EIELM has good robust character. Moreover, compared with ELM, PLSR, hierarchical ELM (HELM), and PLSR-ELM, PLSR-EIELM can achieve much smaller predicted relative errors in these two applications.

  17. Machine Learning and the Traveling Repairman

    CERN Document Server

    Tulabandhula, Theja; Jaillet, Patrick

    2011-01-01

    The goal of the Machine Learning and Traveling Repairman Problem (ML&TRP) is to determine a route for a "repair crew," which repairs nodes on a graph. The repair crew aims to minimize the cost of failures at the nodes, but as in many real situations, the failure probabilities are not known and must be estimated. We introduce two formulations for the ML&TRP, where the first formulation is sequential: failure probabilities are estimated at each node, and then a weighted version of the traveling repairman problem is used to construct the route from the failure cost. We develop two models for the failure cost, based on whether repeat failures are considered, or only the first failure on a node. Our second formulation is a multi-objective learning problem for ranking on graphs. Here, we are estimating failure probabilities simultaneously with determining the graph traversal route; the choice of route influences the estimated failure probabilities. This is in accordance with a prior belief that probabilitie...

  18. Fast, Continuous Audiogram Estimation Using Machine Learning.

    Science.gov (United States)

    Song, Xinyu D; Wallace, Brittany M; Gardner, Jacob R; Ledbetter, Noah M; Weinberger, Kilian Q; Barbour, Dennis L

    2015-01-01

    Pure-tone audiometry has been a staple of hearing assessments for decades. Many different procedures have been proposed for measuring thresholds with pure tones by systematically manipulating intensity one frequency at a time until a discrete threshold function is determined. The authors have developed a novel nonparametric approach for estimating a continuous threshold audiogram using Bayesian estimation and machine learning classification. The objective of this study was to assess the accuracy and reliability of this new method relative to a commonly used threshold measurement technique. The authors performed air conduction pure-tone audiometry on 21 participants between the ages of 18 and 90 years with varying degrees of hearing ability. Two repetitions of automated machine learning audiogram estimation and one repetition of conventional modified Hughson-Westlake ascending-descending audiogram estimation were acquired by an audiologist. The estimated hearing thresholds of these two techniques were compared at standard audiogram frequencies (i.e., 0.25, 0.5, 1, 2, 4, 8 kHz). The two threshold estimate methods delivered very similar estimates at standard audiogram frequencies. Specifically, the mean absolute difference between estimates was 4.16 ± 3.76 dB HL. The mean absolute difference between repeated measurements of the new machine learning procedure was 4.51 ± 4.45 dB HL. These values compare favorably with those of other threshold audiogram estimation procedures. Furthermore, the machine learning method generated threshold estimates from significantly fewer samples than the modified Hughson-Westlake procedure while returning a continuous threshold estimate as a function of frequency. The new machine learning audiogram estimation technique produces continuous threshold audiogram estimates accurately, reliably, and efficiently, making it a strong candidate for widespread application in clinical and research audiometry.

  19. Video Quality Assessment and Machine Learning: Performance and Interpretability

    DEFF Research Database (Denmark)

    Søgaard, Jacob; Forchhammer, Søren; Korhonen, Jari

    2015-01-01

    In this work we compare a simple and a complex Machine Learning (ML) method used for the purpose of Video Quality Assessment (VQA). The simple ML method chosen is the Elastic Net (EN), which is a regularized linear regression model and easier to interpret. The more complex method chosen is Support...

  20. Scalable Machine Learning Framework for Behavior-Based Access Control

    Science.gov (United States)

    2013-08-01

    Mahout [10] is an open-source project for scalable machine learning. It provide ready implementations for K-Means clustering following a MapReduce ...paradigm, but does not provide MapReduce implementations for SVMs, which are the most expensive models to train in BBAC. Massive Online Analysis

  1. Interface Metaphors for Interactive Machine Learning

    Energy Technology Data Exchange (ETDEWEB)

    Jasper, Robert J.; Blaha, Leslie M.

    2017-07-14

    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 used 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.

  2. Learning from Distributions via Support Measure Machines

    CERN Document Server

    Muandet, Krikamol; Fukumizu, Kenji; Dinuzzo, Francesco

    2012-01-01

    This paper presents a kernel-based discriminative learning framework on probability measures. Rather than relying on large collections of vectorial training examples, our framework learns using a collection of probability distributions that have been constructed to meaningfully represent training data. By representing these probability distributions as mean embeddings in the reproducing kernel Hilbert space (RKHS), we are able to apply many standard kernel-based learning techniques in straightforward fashion. To accomplish this, we construct a generalization of the support vector machine (SVM) called a support measure machine (SMM). Our analyses of SMMs provides several insights into their relationship to traditional SVMs. Based on such insights, we propose a flexible SVM (Flex-SVM) that places different kernel functions on each training example. Experimental results on both synthetic and real-world data demonstrate the effectiveness of our proposed framework.

  3. Machine learning analysis of binaural rowing sounds

    DEFF Research Database (Denmark)

    Johard, Leonard; Ruffaldi, Emanuele; Hoffmann, Pablo F.

    2011-01-01

    Techniques for machine hearing are increasing their potentiality due to new application domains. In this work we are addressing the analysis of rowing sounds in natural context for the purpose of supporting a training system based on virtual environments. This paper presents the acquisition metho...... methodology and the evaluation of different machine learning techniques for classifying rowing-sound data. We see that a combination of principal component analysis and shallow networks perform equally well as deep architectures, while being much faster to train....

  4. Machine Learning Analysis of Binaural Rowing Sounds

    Directory of Open Access Journals (Sweden)

    Filippeschi Alessandro

    2011-12-01

    Full Text Available Techniques for machine hearing are increasing their potentiality due to new application domains. In this work we are addressing the analysis of rowing sounds in natural context for the purpose of supporting a training system based on virtual environments. This paper presents the acquisition methodology and the evaluation of different machine learning techniques for classifying rowing-sound data. We see that a combination of principal component analysis and shallow networks perform equally well as deep architectures, while being much faster to train.

  5. Hand Gesture Data Collection Procedure Using a Myo Armband for Machine Learning

    Science.gov (United States)

    2015-09-01

    Data Collection Procedure Using a Myo Armband for Machine Learning by Michael Lee and Nikhil Rao Computational and Information Sciences...Hand Gesture Data Collection Procedure Using a Myo Armband for Machine Learning 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER...Battlefield Information Processing Branch investigated using machine learning (ML) to identify military hand gestures. A Naïve Bayes model was

  6. Machine-Learning Algorithms to Code Public Health Spending Accounts.

    Science.gov (United States)

    Brady, Eoghan S; Leider, Jonathon P; Resnick, Beth A; Alfonso, Y Natalia; Bishai, David

    Government public health expenditure data sets require time- and labor-intensive manipulation to summarize results that public health policy makers can use. Our objective was to compare the performances of machine-learning algorithms with manual classification of public health expenditures to determine if machines could provide a faster, cheaper alternative to manual classification. We used machine-learning algorithms to replicate the process of manually classifying state public health expenditures, using the standardized public health spending categories from the Foundational Public Health Services model and a large data set from the US Census Bureau. We obtained a data set of 1.9 million individual expenditure items from 2000 to 2013. We collapsed these data into 147 280 summary expenditure records, and we followed a standardized method of manually classifying each expenditure record as public health, maybe public health, or not public health. We then trained 9 machine-learning algorithms to replicate the manual process. We calculated recall, precision, and coverage rates to measure the performance of individual and ensembled algorithms. Compared with manual classification, the machine-learning random forests algorithm produced 84% recall and 91% precision. With algorithm ensembling, we achieved our target criterion of 90% recall by using a consensus ensemble of ≥6 algorithms while still retaining 93% coverage, leaving only 7% of the summary expenditure records unclassified. Machine learning can be a time- and cost-saving tool for estimating public health spending in the United States. It can be used with standardized public health spending categories based on the Foundational Public Health Services model to help parse public health expenditure information from other types of health-related spending, provide data that are more comparable across public health organizations, and evaluate the impact of evidence-based public health resource allocation.

  7. Machine Learning for Computer Vision

    CERN Document Server

    Battiato, Sebastiano; Farinella, Giovanni

    2013-01-01

    Computer vision is the science and technology of making machines that see. It is concerned with the theory, design and implementation of algorithms that can automatically process visual data to recognize objects, track and recover their shape and spatial layout. The International Computer Vision Summer School - ICVSS was established in 2007 to provide both an objective and clear overview and an in-depth analysis of the state-of-the-art research in Computer Vision. The courses are delivered by world renowned experts in the field, from both academia and industry, and cover both theoretical and practical aspects of real Computer Vision problems. The school is organized every year by University of Cambridge (Computer Vision and Robotics Group) and University of Catania (Image Processing Lab). Different topics are covered each year. A summary of the past Computer Vision Summer Schools can be found at: http://www.dmi.unict.it/icvss This edited volume contains a selection of articles covering some of the talks and t...

  8. Predicting Increased Blood Pressure Using Machine Learning

    Science.gov (United States)

    Golino, Hudson Fernandes; Amaral, Liliany Souza de Brito; Duarte, Stenio Fernando Pimentel; Soares, Telma de Jesus; dos Reis, Luciana Araujo

    2014-01-01

    The present study investigates the prediction of increased blood pressure by body mass index (BMI), waist (WC) and hip circumference (HC), and waist hip ratio (WHR) using a machine learning technique named classification tree. Data were collected from 400 college students (56.3% women) from 16 to 63 years old. Fifteen trees were calculated in the training group for each sex, using different numbers and combinations of predictors. The result shows that for women BMI, WC, and WHR are the combination that produces the best prediction, since it has the lowest deviance (87.42), misclassification (.19), and the higher pseudo R2 (.43). This model presented a sensitivity of 80.86% and specificity of 81.22% in the training set and, respectively, 45.65% and 65.15% in the test sample. For men BMI, WC, HC, and WHC showed the best prediction with the lowest deviance (57.25), misclassification (.16), and the higher pseudo R2 (.46). This model had a sensitivity of 72% and specificity of 86.25% in the training set and, respectively, 58.38% and 69.70% in the test set. Finally, the result from the classification tree analysis was compared with traditional logistic regression, indicating that the former outperformed the latter in terms of predictive power. PMID:24669313

  9. Optimal interference code based on machine learning

    Science.gov (United States)

    Qian, Ye; Chen, Qian; Hu, Xiaobo; Cao, Ercong; Qian, Weixian; Gu, Guohua

    2016-10-01

    In this paper, we analyze the characteristics of pseudo-random code, by the case of m sequence. Depending on the description of coding theory, we introduce the jamming methods. We simulate the interference effect or probability model by the means of MATLAB to consolidate. In accordance with the length of decoding time the adversary spends, we find out the optimal formula and optimal coefficients based on machine learning, then we get the new optimal interference code. First, when it comes to the phase of recognition, this study judges the effect of interference by the way of simulating the length of time over the decoding period of laser seeker. Then, we use laser active deception jamming simulate interference process in the tracking phase in the next block. In this study we choose the method of laser active deception jamming. In order to improve the performance of the interference, this paper simulates the model by MATLAB software. We find out the least number of pulse intervals which must be received, then we can make the conclusion that the precise interval number of the laser pointer for m sequence encoding. In order to find the shortest space, we make the choice of the greatest common divisor method. Then, combining with the coding regularity that has been found before, we restore pulse interval of pseudo-random code, which has been already received. Finally, we can control the time period of laser interference, get the optimal interference code, and also increase the probability of interference as well.

  10. Predicting Increased Blood Pressure Using Machine Learning

    Directory of Open Access Journals (Sweden)

    Hudson Fernandes Golino

    2014-01-01

    Full Text Available The present study investigates the prediction of increased blood pressure by body mass index (BMI, waist (WC and hip circumference (HC, and waist hip ratio (WHR using a machine learning technique named classification tree. Data were collected from 400 college students (56.3% women from 16 to 63 years old. Fifteen trees were calculated in the training group for each sex, using different numbers and combinations of predictors. The result shows that for women BMI, WC, and WHR are the combination that produces the best prediction, since it has the lowest deviance (87.42, misclassification (.19, and the higher pseudo R2 (.43. This model presented a sensitivity of 80.86% and specificity of 81.22% in the training set and, respectively, 45.65% and 65.15% in the test sample. For men BMI, WC, HC, and WHC showed the best prediction with the lowest deviance (57.25, misclassification (.16, and the higher pseudo R2 (.46. This model had a sensitivity of 72% and specificity of 86.25% in the training set and, respectively, 58.38% and 69.70% in the test set. Finally, the result from the classification tree analysis was compared with traditional logistic regression, indicating that the former outperformed the latter in terms of predictive power.

  11. Machine learning analysis of binaural rowing sounds

    DEFF Research Database (Denmark)

    Johard, Leonard; Ruffaldi, Emanuele; Hoffmann, Pablo F.

    2011-01-01

    Techniques for machine hearing are increasing their potentiality due to new application domains. In this work we are addressing the analysis of rowing sounds in natural context for the purpose of supporting a training system based on virtual environments. This paper presents the acquisition metho...... methodology and the evaluation of different machine learning techniques for classifying rowing-sound data. We see that a combination of principal component analysis and shallow networks perform equally well as deep architectures, while being much faster to train.......Techniques for machine hearing are increasing their potentiality due to new application domains. In this work we are addressing the analysis of rowing sounds in natural context for the purpose of supporting a training system based on virtual environments. This paper presents the acquisition...

  12. Machine learning strategies for systems with invariance properties

    Science.gov (United States)

    Ling, Julia; Jones, Reese; Templeton, Jeremy

    2016-08-01

    In many scientific fields, empirical models are employed to facilitate computational simulations of engineering systems. For example, in fluid mechanics, empirical Reynolds stress closures enable computationally-efficient Reynolds Averaged Navier Stokes simulations. Likewise, in solid mechanics, constitutive relations between the stress and strain in a material are required in deformation analysis. Traditional methods for developing and tuning empirical models usually combine physical intuition with simple regression techniques on limited data sets. The rise of high performance computing has led to a growing availability of high fidelity simulation data. These data open up the possibility of using machine learning algorithms, such as random forests or neural networks, to develop more accurate and general empirical models. A key question when using data-driven algorithms to develop these empirical models is how domain knowledge should be incorporated into the machine learning process. This paper will specifically address physical systems that possess symmetry or invariance properties. Two different methods for teaching a machine learning model an invariance property are compared. In the first method, a basis of invariant inputs is constructed, and the machine learning model is trained upon this basis, thereby embedding the invariance into the model. In the second method, the algorithm is trained on multiple transformations of the raw input data until the model learns invariance to that transformation. Results are discussed for two case studies: one in turbulence modeling and one in crystal elasticity. It is shown that in both cases embedding the invariance property into the input features yields higher performance at significantly reduced computational training costs.

  13. Machine Learning Predictions of Flash Floods

    Science.gov (United States)

    Clark, R. A., III; Flamig, Z.; Gourley, J. J.; Hong, Y.

    2016-12-01

    This study concerns the development, assessment, and use of machine learning (ML) algorithms to automatically generate predictions of flash floods around the world from numerical weather prediction (NWP) output. Using an archive of NWP outputs from the Global Forecast System (GFS) model and a historical archive of reports of flash floods across the U.S. and Europe, we developed a set of ML models that output forecasts of the probability of a flash flood given a certain set of atmospheric conditions. Using these ML models, real-time global flash flood predictions from NWP data have been generated in research mode since February 2016. These ML models provide information about which atmospheric variables are most important in the flash flood prediction process. The raw ML predictions can be calibrated against historical events to generate reliable flash flood probabilities. The automatic system was tested in a research-to-operations testbed enviroment with National Weather Service forecasters. The ML models are quite successful at incorporating large amounts of information in a computationally-efficient manner and and result in reasonably skillful predictions. The system is largely successful at identifying flash floods resulting from synoptically-forced events, but struggles with isolated flash floods that arise as a result of weather systems largely unresolvable by the coarse resolution of a global NWP system. The results from this collection of studies suggest that automatic probabilistic predictions of flash floods are a plausible way forward in operational forecasting, but that future research could focus upon applying these methods to finer-scale NWP guidance, to NWP ensembles, and to forecast lead times beyond 24 hours.

  14. Parallelization of the ROOT Machine Learning Methods

    CERN Document Server

    Vakilipourtakalou, Pourya

    2016-01-01

    Today computation is an inseparable part of scientific research. Specially in Particle Physics when there is a classification problem like discrimination of Signals from Backgrounds originating from the collisions of particles. On the other hand, Monte Carlo simulations can be used in order to generate a known data set of Signals and Backgrounds based on theoretical physics. The aim of Machine Learning is to train some algorithms on known data set and then apply these trained algorithms to the unknown data sets. However, the most common framework for data analysis in Particle Physics is ROOT. In order to use Machine Learning methods, a Toolkit for Multivariate Data Analysis (TMVA) has been added to ROOT. The major consideration in this report is the parallelization of some TMVA methods, specially Cross-Validation and BDT.

  15. Application of Machine Learning to Rotorcraft Health Monitoring

    Science.gov (United States)

    Cody, Tyler; Dempsey, Paula J.

    2017-01-01

    Machine learning is a powerful tool for data exploration and model building with large data sets. This project aimed to use machine learning techniques to explore the inherent structure of data from rotorcraft gear tests, relationships between features and damage states, and to build a system for predicting gear health for future rotorcraft transmission applications. Classical machine learning techniques are difficult, if not irresponsible to apply to time series data because many make the assumption of independence between samples. To overcome this, Hidden Markov Models were used to create a binary classifier for identifying scuffing transitions and Recurrent Neural Networks were used to leverage long distance relationships in predicting discrete damage states. When combined in a workflow, where the binary classifier acted as a filter for the fatigue monitor, the system was able to demonstrate accuracy in damage state prediction and scuffing identification. The time dependent nature of the data restricted data exploration to collecting and analyzing data from the model selection process. The limited amount of available data was unable to give useful information, and the division of training and testing sets tended to heavily influence the scores of the models across combinations of features and hyper-parameters. This work built a framework for tracking scuffing and fatigue on streaming data and demonstrates that machine learning has much to offer rotorcraft health monitoring by using Bayesian learning and deep learning methods to capture the time dependent nature of the data. Suggested future work is to implement the framework developed in this project using a larger variety of data sets to test the generalization capabilities of the models and allow for data exploration.

  16. Network anomaly detection a machine learning perspective

    CERN Document Server

    Bhattacharyya, Dhruba Kumar

    2013-01-01

    With the rapid rise in the ubiquity and sophistication of Internet technology and the accompanying growth in the number of network attacks, network intrusion detection has become increasingly important. Anomaly-based network intrusion detection refers to finding exceptional or nonconforming patterns in network traffic data compared to normal behavior. Finding these anomalies has extensive applications in areas such as cyber security, credit card and insurance fraud detection, and military surveillance for enemy activities. Network Anomaly Detection: A Machine Learning Perspective presents mach

  17. Perspective: Machine learning potentials for atomistic simulations

    Science.gov (United States)

    Behler, Jörg

    2016-11-01

    Nowadays, computer simulations have become a standard tool in essentially all fields of chemistry, condensed matter physics, and materials science. In order to keep up with state-of-the-art experiments and the ever growing complexity of the investigated problems, there is a constantly increasing need for simulations of more realistic, i.e., larger, model systems with improved accuracy. In many cases, the availability of sufficiently efficient interatomic potentials providing reliable energies and forces has become a serious bottleneck for performing these simulations. To address this problem, currently a paradigm change is taking place in the development of interatomic potentials. Since the early days of computer simulations simplified potentials have been derived using physical approximations whenever the direct application of electronic structure methods has been too demanding. Recent advances in machine learning (ML) now offer an alternative approach for the representation of potential-energy surfaces by fitting large data sets from electronic structure calculations. In this perspective, the central ideas underlying these ML potentials, solved problems and remaining challenges are reviewed along with a discussion of their current applicability and limitations.

  18. Image Segmentation for Connectomics Using Machine Learning

    Energy Technology Data Exchange (ETDEWEB)

    Tasdizen, Tolga; Seyedhosseini, Mojtaba; Liu, TIng; Jones, Cory; Jurrus, Elizabeth R.

    2014-12-01

    Reconstruction of neural circuits at the microscopic scale of individual neurons and synapses, also known as connectomics, is an important challenge for neuroscience. While an important motivation of connectomics is providing anatomical ground truth for neural circuit models, the ability to decipher neural wiring maps at the individual cell level is also important in studies of many neurodegenerative diseases. Reconstruction of a neural circuit at the individual neuron level requires the use of electron microscopy images due to their extremely high resolution. Computational challenges include pixel-by-pixel annotation of these images into classes such as cell membrane, mitochondria and synaptic vesicles and the segmentation of individual neurons. State-of-the-art image analysis solutions are still far from the accuracy and robustness of human vision and biologists are still limited to studying small neural circuits using mostly manual analysis. In this chapter, we describe our image analysis pipeline that makes use of novel supervised machine learning techniques to tackle this problem.

  19. The ATLAS Higgs machine learning challenge

    CERN Document Server

    Davey, W; The ATLAS collaboration; Rousseau, D; Cowan, G; Kegl, B; Germain-Renaud, C; Guyon, I

    2014-01-01

    High Energy Physics has been using Machine Learning techniques (commonly known as Multivariate Analysis) since the 90's with Artificial Neural Net for example, more recently with Boosted Decision Trees, Random Forest etc... Meanwhile, Machine Learning has become a full blown field of computer science. With the emergence of Big Data, Data Scientists are developing new Machine Learning algorithms to extract sense from large heterogeneous data. HEP has exciting and difficult problems like the extraction of the Higgs boson signal, data scientists have advanced algorithms: the goal of the HiggsML project is to bring the two together by a “challenge”: participants from all over the world and any scientific background can compete online ( https://www.kaggle.com/c/higgs-boson ) to obtain the best Higgs to tau tau signal significance on a set of ATLAS full simulated Monte Carlo signal and background. Winners with the best scores will receive money prizes ; authors of the best method (most usable) will be invited t...

  20. Quantum Loop Topography for Machine Learning

    Science.gov (United States)

    Zhang, Yi; Kim, Eun-Ah

    2017-05-01

    Despite rapidly growing interest in harnessing machine learning in the study of quantum many-body systems, training neural networks to identify quantum phases is a nontrivial challenge. The key challenge is in efficiently extracting essential information from the many-body Hamiltonian or wave function and turning the information into an image that can be fed into a neural network. When targeting topological phases, this task becomes particularly challenging as topological phases are defined in terms of nonlocal properties. Here, we introduce quantum loop topography (QLT): a procedure of constructing a multidimensional image from the "sample" Hamiltonian or wave function by evaluating two-point operators that form loops at independent Monte Carlo steps. The loop configuration is guided by the characteristic response for defining the phase, which is Hall conductivity for the cases at hand. Feeding QLT to a fully connected neural network with a single hidden layer, we demonstrate that the architecture can be effectively trained to distinguish the Chern insulator and the fractional Chern insulator from trivial insulators with high fidelity. In addition to establishing the first case of obtaining a phase diagram with a topological quantum phase transition with machine learning, the perspective of bridging traditional condensed matter theory with machine learning will be broadly valuable.

  1. Ensemble Machine Learning Methods and Applications

    CERN Document Server

    Ma, Yunqian

    2012-01-01

    It is common wisdom that gathering a variety of views and inputs improves the process of decision making, and, indeed, underpins a democratic society. Dubbed “ensemble learning” by researchers in computational intelligence and machine learning, it is known to improve a decision system’s robustness and accuracy. Now, fresh developments are allowing researchers to unleash the power of ensemble learning in an increasing range of real-world applications. Ensemble learning algorithms such as “boosting” and “random forest” facilitate solutions to key computational issues such as face detection and are now being applied in areas as diverse as object trackingand bioinformatics.   Responding to a shortage of literature dedicated to the topic, this volume offers comprehensive coverage of state-of-the-art ensemble learning techniques, including various contributions from researchers in leading industrial research labs. At once a solid theoretical study and a practical guide, the volume is a windfall for r...

  2. Classical ab initio van der Waals interactions from many-body dispersion and multipole machine learning models trained in chemical space

    CERN Document Server

    Bereau, Tristan; von Lilienfeld, O Anatole

    2015-01-01

    Accurate predictions of van der Waals forces require faithful models of dispersion, permanent and induced multipole-moments, as well as penetration and repulsion. We introduce a universal combined physics- and data-driven model of dispersion and multipole-moment contributions, respectively. Atomic multipoles are estimated "on-the-fly" for any organic molecule in any conformation using a machine learning approach trained on quantum chemistry results for tens of thousands of atoms in varying chemical environments drawn from thousands of organic molecules. Globally neutral, cationic, and anionic molecular charge states can be treated with individual models. Dispersion interactions are included via recently-proposed classical many-body potentials. For nearly one thousand intermolecular dimers, this approximate van der Waals model is found to reach an accuracy similar to that of state-of-the-art force fields, while bypassing the need for parametrization. Estimates of cohesive energies for the benzene crystal confi...

  3. Narrow Artificial Intelligence with Machine Learning for Real-Time Estimation of a Mobile Agent’s Location Using Hidden Markov Models

    Directory of Open Access Journals (Sweden)

    Cédric Beaulac

    2017-01-01

    Full Text Available We propose to use a supervised machine learning technique to track the location of a mobile agent in real time. Hidden Markov Models are used to build artificial intelligence that estimates the unknown position of a mobile target moving in a defined environment. This narrow artificial intelligence performs two distinct tasks. First, it provides real-time estimation of the mobile agent’s position using the forward algorithm. Second, it uses the Baum–Welch algorithm as a statistical learning tool to gain knowledge of the mobile target. Finally, an experimental environment is proposed, namely, a video game that we use to test our artificial intelligence. We present statistical and graphical results to illustrate the efficiency of our method.

  4. Nonlinear programming for classification problems in machine learning

    Science.gov (United States)

    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.

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

    Directory of Open Access Journals (Sweden)

    Jilin Zhang

    2017-09-01

    Full Text Available 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.

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

    Science.gov (United States)

    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.

  7. Machine Learning of the Reactor Core Loading Pattern Critical Parameters

    Directory of Open Access Journals (Sweden)

    Krešimir Trontl

    2008-01-01

    Full Text Available The usual approach to loading pattern optimization involves high degree of engineering judgment, a set of heuristic rules, an optimization algorithm, and a computer code used for evaluating proposed loading patterns. The speed of the optimization process is highly dependent on the computer code used for the evaluation. In this paper, we investigate the applicability of a machine learning model which could be used for fast loading pattern evaluation. We employ a recently introduced machine learning technique, support vector regression (SVR, which is a data driven, kernel based, nonlinear modeling paradigm, in which model parameters are automatically determined by solving a quadratic optimization problem. The main objective of the work reported in this paper was to evaluate the possibility of applying SVR method for reactor core loading pattern modeling. We illustrate the performance of the solution and discuss its applicability, that is, complexity, speed, and accuracy.

  8. Yarn Properties Prediction Based on Machine Learning Method

    Institute of Scientific and Technical Information of China (English)

    YANG Jian-guo; L(U) Zhi-jun; LI Bei-zhi

    2007-01-01

    Although many works have been done to constructprediction models on yarn processing quality, the relationbetween spinning variables and yam properties has not beenestablished conclusively so far. Support vector machines(SVMs), based on statistical learning theory, are gainingapplications in the areas of machine learning and patternrecognition because of the high accuracy and goodgeneralization capability. This study briefly introduces theSVM regression algorithms, and presents the SVM basedsystem architecture for predicting yam properties. Model.selection which amounts to search in hyper-parameter spaceis performed for study of suitable parameters with grid-research method. Experimental results have been comparedwith those of artificial neural network(ANN) models. Theinvestigation indicates that in the small data sets and real-life production, SVM models are capable of remaining thestability of predictive accuracy, and more suitable for noisyand dynamic spinning process.

  9. Prototype Vector Machine for Large Scale Semi-Supervised Learning

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai; Kwok, James T.; Parvin, Bahram

    2009-04-29

    Practicaldataminingrarelyfalls exactlyinto the supervisedlearning scenario. Rather, the growing amount of unlabeled data poses a big challenge to large-scale semi-supervised learning (SSL). We note that the computationalintensivenessofgraph-based SSLarises largely from the manifold or graph regularization, which in turn lead to large models that are dificult to handle. To alleviate this, we proposed the prototype vector machine (PVM), a highlyscalable,graph-based algorithm for large-scale SSL. Our key innovation is the use of"prototypes vectors" for effcient approximation on both the graph-based regularizer and model representation. The choice of prototypes are grounded upon two important criteria: they not only perform effective low-rank approximation of the kernel matrix, but also span a model suffering the minimum information loss compared with the complete model. We demonstrate encouraging performance and appealing scaling properties of the PVM on a number of machine learning benchmark data sets.

  10. Machine Learning Based Malware Detection

    Science.gov (United States)

    2015-05-18

    algorithms analyze records designated for training to generate a mathematical model that maps the relationship of file features and labels. That...Microsoft Windows: - Windows Vista Enterprise - Windows 7 Professional - Windows Server 2008 R2 Standard - Windows 8.1 Professional Additionally, we

  11. An efficient learning procedure for deep Boltzmann machines.

    Science.gov (United States)

    Salakhutdinov, Ruslan; Hinton, Geoffrey

    2012-08-01

    We present a new learning algorithm for Boltzmann machines that contain many layers of hidden variables. Data-dependent statistics are estimated using a variational approximation that tends to focus on a single mode, and data-independent statistics are estimated using persistent Markov chains. The use of two quite different techniques for estimating the two types of statistic that enter into the gradient of the log likelihood makes it practical to learn Boltzmann machines with multiple hidden layers and millions of parameters. The learning can be made more efficient by using a layer-by-layer pretraining phase that initializes the weights sensibly. The pretraining also allows the variational inference to be initialized sensibly with a single bottom-up pass. We present results on the MNIST and NORB data sets showing that deep Boltzmann machines learn very good generative models of handwritten digits and 3D objects. We also show that the features discovered by deep Boltzmann machines are a very effective way to initialize the hidden layers of feedforward neural nets, which are then discriminatively fine-tuned.

  12. Plasma disruption prediction using machine learning methods: DIII-D

    Science.gov (United States)

    Lupin-Jimenez, L.; Kolemen, E.; Eldon, D.; Eidietis, N.

    2016-10-01

    Plasma disruption prediction is becoming more important with the development of larger tokamaks, due to the larger amount of thermal and magnetic energy that can be stored. By accurately predicting an impending disruption, the disruption's impact can be mitigated or, better, prevented. Recent approaches to disruption prediction have been through implementation of machine learning methods, which characterize raw and processed diagnostic data to develop accurate prediction models. Using disruption trials from the DIII-D database, the effectiveness of different machine learning methods are characterized. Developed real time disruption prediction approaches are focused on tearing and locking modes. Machine learning methods used include random forests, multilayer perceptrons, and traditional regression analysis. The algorithms are trained with data within short time frames, and whether or not a disruption occurs within the time window after the end of the frame. Initial results from the machine learning algorithms will be presented. Work supported by US DOE under the Science Undergraduate Laboratory Internship (SULI) program, DE-FC02-04ER54698, and DE-AC02-09CH11466.

  13. Scalable Machine Learning for Massive Astronomical Datasets

    Science.gov (United States)

    Ball, Nicholas M.; Gray, A.

    2014-04-01

    We present the ability to perform data mining and machine learning operations on a catalog of half a billion astronomical objects. This is the result of the combination of robust, highly accurate machine learning algorithms with linear scalability that renders the applications of these algorithms to massive astronomical data tractable. We demonstrate the core algorithms kernel density estimation, K-means clustering, linear regression, nearest neighbors, random forest and gradient-boosted decision tree, singular value decomposition, support vector machine, and two-point correlation function. Each of these is relevant for astronomical applications such as finding novel astrophysical objects, characterizing artifacts in data, object classification (including for rare objects), object distances, finding the important features describing objects, density estimation of distributions, probabilistic quantities, and exploring the unknown structure of new data. The software, Skytree Server, runs on any UNIX-based machine, a virtual machine, or cloud-based and distributed systems including Hadoop. We have integrated it on the cloud computing system of the Canadian Astronomical Data Centre, the Canadian Advanced Network for Astronomical Research (CANFAR), creating the world's first cloud computing data mining system for astronomy. We demonstrate results showing the scaling of each of our major algorithms on large astronomical datasets, including the full 470,992,970 objects of the 2 Micron All-Sky Survey (2MASS) Point Source Catalog. We demonstrate the ability to find outliers in the full 2MASS dataset utilizing multiple methods, e.g., nearest neighbors. This is likely of particular interest to the radio astronomy community given, for example, that survey projects contain groups dedicated to this topic. 2MASS is used as a proof-of-concept dataset due to its convenience and availability. These results are of interest to any astronomical project with large and/or complex

  14. Machine Learning for Flood Prediction in Google Earth Engine

    Science.gov (United States)

    Kuhn, C.; Tellman, B.; Max, S. A.; Schwarz, B.

    2015-12-01

    With the increasing availability of high-resolution satellite imagery, dynamic flood mapping in near real time is becoming a reachable goal for decision-makers. This talk describes a newly developed framework for predicting biophysical flood vulnerability using public data, cloud computing and machine learning. Our objective is to define an approach to flood inundation modeling using statistical learning methods deployed in a cloud-based computing platform. Traditionally, static flood extent maps grounded in physically based hydrologic models can require hours of human expertise to construct at significant financial cost. In addition, desktop modeling software and limited local server storage can impose restraints on the size and resolution of input datasets. Data-driven, cloud-based processing holds promise for predictive watershed modeling at a wide range of spatio-temporal scales. However, these benefits come with constraints. In particular, parallel computing limits a modeler's ability to simulate the flow of water across a landscape, rendering traditional routing algorithms unusable in this platform. Our project pushes these limits by testing the performance of two machine learning algorithms, Support Vector Machine (SVM) and Random Forests, at predicting flood extent. Constructed in Google Earth Engine, the model mines a suite of publicly available satellite imagery layers to use as algorithm inputs. Results are cross-validated using MODIS-based flood maps created using the Dartmouth Flood Observatory detection algorithm. Model uncertainty highlights the difficulty of deploying unbalanced training data sets based on rare extreme events.

  15. Model-Based Comparison of Deep Brain Stimulation Array Functionality with Varying Number of Radial Electrodes and Machine Learning Feature Sets.

    Science.gov (United States)

    Teplitzky, Benjamin A; Zitella, Laura M; Xiao, YiZi; Johnson, Matthew D

    2016-01-01

    Deep brain stimulation (DBS) leads with radially distributed electrodes have potential to improve clinical outcomes through more selective targeting of pathways and networks within the brain. However, increasing the number of electrodes on clinical DBS leads by replacing conventional cylindrical shell electrodes with radially distributed electrodes raises practical design and stimulation programming challenges. We used computational modeling to investigate: (1) how the number of radial electrodes impact the ability to steer, shift, and sculpt a region of neural activation (RoA), and (2) which RoA features are best used in combination with machine learning classifiers to predict programming settings to target a particular area near the lead. Stimulation configurations were modeled using 27 lead designs with one to nine radially distributed electrodes. The computational modeling framework consisted of a three-dimensional finite element tissue conductance model in combination with a multi-compartment biophysical axon model. For each lead design, two-dimensional threshold-dependent RoAs were calculated from the computational modeling results. The models showed more radial electrodes enabled finer resolution RoA steering; however, stimulation amplitude, and therefore spatial extent of the RoA, was limited by charge injection and charge storage capacity constraints due to the small electrode surface area for leads with more than four radially distributed electrodes. RoA shifting resolution was improved by the addition of radial electrodes when using uniform multi-cathode stimulation, but non-uniform multi-cathode stimulation produced equivalent or better resolution shifting without increasing the number of radial electrodes. Robust machine learning classification of 15 monopolar stimulation configurations was achieved using as few as three geometric features describing a RoA. The results of this study indicate that, for a clinical-scale DBS lead, more than four radial

  16. Hydrological data assimilation using Extreme Learning Machines

    Science.gov (United States)

    Boucher, Marie-Amélie; Quilty, John; Adamowski, Jan

    2017-04-01

    Data assimilation refers to any process that allows for updating state variables in a model to represent reality more accurately than the initial (open loop) simulation. In hydrology, data assimilation is often a pre-requisite for forecasting. In practice, many operational agencies rely on "manual" data assimilation: perturbations are added manually to meteorological inputs or directly to state variables based on "expert knowledge" until the simulated streamflow matches the observed streamflow closely. The corrected state variables are then considered as representative of the "true", unknown, state of the watershed just before the forecasting period. However, manual data assimilation raises concerns, mainly regarding reproducibility and high reliance on "expert knowledge". For those reasons, automatic data assimilation methods have been proposed in the literature. Automatic data assimilation also allows for the assessment and reduction of state variable uncertainty, which is predominant for short-term streamflow forecasts (e.g. Thiboult et al. 2016). The goal of this project is to explore the potential of Extreme Learning Machines (ELM, Zang and Liu 2015) for data assimilation. ELMs are an emerging type of neural network that does not require iterative optimisation of their weights and biases and therefore are much faster to calibrate than typical feed-forward backpropagation neural networks. We explore ELM for updating state variables of the lumped conceptual hydrological model GR4J. The GR4J model has two state variables: the level of water in the production and routing reservoirs. Although these two variables are sufficient to describe the state of a snow-free watershed, they are modelling artifices that are not measurable. Consequently, their "true" values can only be verified indirectly through a comparison of simulated and observed streamflow and their values are highly uncertain. GR4J can also be coupled with the snow model CemaNeige, which adds two other

  17. Machine Learning for Vision-Based Motion Analysis

    CERN Document Server

    Wang, Liang; Cheng, Li; Pietikainen, Matti

    2011-01-01

    Techniques of vision-based motion analysis aim to detect, track, identify, and generally understand the behavior of objects in image sequences. With the growth of video data in a wide range of applications from visual surveillance to human-machine interfaces, the ability to automatically analyze and understand object motions from video footage is of increasing importance. Among the latest developments in this field is the application of statistical machine learning algorithms for object tracking, activity modeling, and recognition. Developed from expert contributions to the first and second In

  18. A land use regression model for ambient ultrafine particles in Montreal, Canada: A comparison of linear regression and a machine learning approach.

    Science.gov (United States)

    Weichenthal, Scott; Ryswyk, Keith Van; Goldstein, Alon; Bagg, Scott; Shekkarizfard, Maryam; Hatzopoulou, Marianne

    2016-04-01

    Existing evidence suggests that ambient ultrafine particles (UFPs) (regression model for UFPs in Montreal, Canada using mobile monitoring data collected from 414 road segments during the summer and winter months between 2011 and 2012. Two different approaches were examined for model development including standard multivariable linear regression and a machine learning approach (kernel-based regularized least squares (KRLS)) that learns the functional form of covariate impacts on ambient UFP concentrations from the data. The final models included parameters for population density, ambient temperature and wind speed, land use parameters (park space and open space), length of local roads and rail, and estimated annual average NOx emissions from traffic. The final multivariable linear regression model explained 62% of the spatial variation in ambient UFP concentrations whereas the KRLS model explained 79% of the variance. The KRLS model performed slightly better than the linear regression model when evaluated using an external dataset (R(2)=0.58 vs. 0.55) or a cross-validation procedure (R(2)=0.67 vs. 0.60). In general, our findings suggest that the KRLS approach may offer modest improvements in predictive performance compared to standard multivariable linear regression models used to estimate spatial variations in ambient UFPs. However, differences in predictive performance were not statistically significant when evaluated using the cross-validation procedure.

  19. Entanglement-based machine learning on a quantum computer.

    Science.gov (United States)

    Cai, X-D; Wu, D; Su, Z-E; Chen, M-C; Wang, X-L; Li, Li; Liu, N-L; Lu, C-Y; Pan, J-W

    2015-03-20

    Machine learning, a branch of artificial intelligence, learns from previous experience to optimize performance, which is ubiquitous in various fields such as computer sciences, financial analysis, robotics, and bioinformatics. A challenge is that machine learning with the rapidly growing "big data" could become intractable for classical computers. Recently, quantum machine learning algorithms [Lloyd, Mohseni, and Rebentrost, arXiv.1307.0411] were proposed which could offer an exponential speedup over classical algorithms. Here, we report the first experimental entanglement-based classification of two-, four-, and eight-dimensional vectors to different clusters using a small-scale photonic quantum computer, which are then used to implement supervised and unsupervised machine learning. The results demonstrate the working principle of using quantum computers to manipulate and classify high-dimensional vectors, the core mathematical routine in machine learning. The method can, in principle, be scaled to larger numbers of qubits, and may provide a new route to accelerate machine learning.

  20. Sparse extreme learning machine for classification.

    Science.gov (United States)

    Bai, Zuo; Huang, Guang-Bin; Wang, Danwei; Wang, Han; Westover, M Brandon

    2014-10-01

    Extreme learning machine (ELM) was initially proposed for single-hidden-layer feedforward neural networks (SLFNs). In the hidden layer (feature mapping), nodes are randomly generated independently of training data. Furthermore, a unified ELM was proposed, providing a single framework to simplify and unify different learning methods, such as SLFNs, least square support vector machines, proximal support vector machines, and so on. However, the solution of unified ELM is dense, and thus, usually plenty of storage space and testing time are required for large-scale applications. In this paper, a sparse ELM is proposed as an alternative solution for classification, reducing storage space and testing time. In addition, unified ELM obtains the solution by matrix inversion, whose computational complexity is between quadratic and cubic with respect to the training size. It still requires plenty of training time for large-scale problems, even though it is much faster than many other traditional methods. In this paper, an efficient training algorithm is specifically developed for sparse ELM. The quadratic programming problem involved in sparse ELM is divided into a series of smallest possible sub-problems, each of which are solved analytically. Compared with SVM, sparse ELM obtains better generalization performance with much faster training speed. Compared with unified ELM, sparse ELM achieves similar generalization performance for binary classification applications, and when dealing with large-scale binary classification problems, sparse ELM realizes even faster training speed than unified ELM.

  1. Classification models for clear cell renal carcinoma stage progression, based on tumor RNAseq expression trained supervised machine learning algorithms.

    Science.gov (United States)

    Jagga, Zeenia; Gupta, Dinesh

    2014-01-01

    Clear-cell Renal Cell Carcinoma (ccRCC) is the most- prevalent, chemotherapy resistant and lethal adult kidney cancer. There is a need for novel diagnostic and prognostic biomarkers for ccRCC, due to its heterogeneous molecular profiles and asymptomatic early stage. This study aims to develop classification models to distinguish early stage and late stage of ccRCC based on gene expression profiles. We employed supervised learning algorithms- J48, Random Forest, SMO and Naïve Bayes; with enriched model learning by fast correlation based feature selection to develop classification models trained on sequencing based gene expression data of RNAseq experiments, obtained from The Cancer Genome Atlas. Different models developed in the study were evaluated on the basis of 10 fold cross validations and independent dataset testing. Random Forest based prediction model performed best amongst the models developed in the study, with a sensitivity of 89%, accuracy of 77% and area under Receivers Operating Curve of 0.8. We anticipate that the prioritized subset of 62 genes and prediction models developed in this study will aid experimental oncologists to expedite understanding of the molecular mechanisms of stage progression and discovery of prognostic factors for ccRCC tumors.

  2. 1st International Conference on Machine Learning for Cyber Physical Systems and Industry 4.0

    CERN Document Server

    Beyerer, Jürgen

    2016-01-01

    The work presents new approaches to Machine Learning for Cyber Physical Systems, experiences and visions. It contains some selected papers from the international Conference ML4CPS – Machine Learning for Cyber Physical Systems, which was held in Lemgo, October 1-2, 2015. Cyber Physical Systems are characterized by their ability to adapt and to learn: They analyze their environment and, based on observations, they learn patterns, correlations and predictive models. Typical applications are condition monitoring, predictive maintenance, image processing and diagnosis. Machine Learning is the key technology for these developments.

  3. A Machine Learning Approach to Test Data Generation

    DEFF Research Database (Denmark)

    Christiansen, Henning; Dahmcke, Christina Mackeprang

    2007-01-01

    been tested, and a more thorough statistical foundation is required. We propose to use logic-statistical modelling methods for machine-learning for analyzing existing and manually marked up data, integrated with the generation of new, artificial data. More specifically, we suggest to use the PRISM...... system developed by Sato and Kameya. Based on logic programming extended with random variables and parameter learning, PRISM appears as a powerful modelling environment, which subsumes HMMs and a wide range of other methods, all embedded in a declarative language. We illustrate these principles here...

  4. Applying Machine Learning to Star Cluster Classification

    Science.gov (United States)

    Fedorenko, Kristina; Grasha, Kathryn; Calzetti, Daniela; Mahadevan, Sridhar

    2016-01-01

    Catalogs describing populations of star clusters are essential in investigating a range of important issues, from star formation to galaxy evolution. Star cluster catalogs are typically created in a two-step process: in the first step, a catalog of sources is automatically produced; in the second step, each of the extracted sources is visually inspected by 3-to-5 human classifiers and assigned a category. Classification by humans is labor-intensive and time consuming, thus it creates a bottleneck, and substantially slows down progress in star cluster research.We seek to automate the process of labeling star clusters (the second step) through applying supervised machine learning techniques. This will provide a fast, objective, and reproducible classification. Our data is HST (WFC3 and ACS) images of galaxies in the distance range of 3.5-12 Mpc, with a few thousand star clusters already classified by humans as a part of the LEGUS (Legacy ExtraGalactic UV Survey) project. The classification is based on 4 labels (Class 1 - symmetric, compact cluster; Class 2 - concentrated object with some degree of asymmetry; Class 3 - multiple peak system, diffuse; and Class 4 - spurious detection). We start by looking at basic machine learning methods such as decision trees. We then proceed to evaluate performance of more advanced techniques, focusing on convolutional neural networks and other Deep Learning methods. We analyze the results, and suggest several directions for further improvement.

  5. An Evolutionary Machine Learning Framework for Big Data Sequence Mining

    Science.gov (United States)

    Kamath, Uday Krishna

    2014-01-01

    Sequence classification is an important problem in many real-world applications. Unlike other machine learning data, there are no "explicit" features or signals in sequence data that can help traditional machine learning algorithms learn and predict from the data. Sequence data exhibits inter-relationships in the elements that are…

  6. An Evolutionary Machine Learning Framework for Big Data Sequence Mining

    Science.gov (United States)

    Kamath, Uday Krishna

    2014-01-01

    Sequence classification is an important problem in many real-world applications. Unlike other machine learning data, there are no "explicit" features or signals in sequence data that can help traditional machine learning algorithms learn and predict from the data. Sequence data exhibits inter-relationships in the elements that are…

  7. Formation enthalpies for transition metal alloys using machine learning

    Science.gov (United States)

    Ubaru, Shashanka; Miedlar, Agnieszka; Saad, Yousef; Chelikowsky, James R.

    2017-06-01

    The enthalpy of formation is an important thermodynamic property. Developing fast and accurate methods for its prediction is of practical interest in a variety of applications. Material informatics techniques based on machine learning have recently been introduced in the literature as an inexpensive means of exploiting materials data, and can be used to examine a variety of thermodynamics properties. We investigate the use of such machine learning tools for predicting the formation enthalpies of binary intermetallic compounds that contain at least one transition metal. We consider certain easily available properties of the constituting elements complemented by some basic properties of the compounds, to predict the formation enthalpies. We show how choosing these properties (input features) based on a literature study (using prior physics knowledge) seems to outperform machine learning based feature selection methods such as sensitivity analysis and LASSO (least absolute shrinkage and selection operator) based methods. A nonlinear kernel based support vector regression method is employed to perform the predictions. The predictive ability of our model is illustrated via several experiments on a dataset containing 648 binary alloys. We train and validate the model using the formation enthalpies calculated using a model by Miedema, which is a popular semiempirical model used for the prediction of formation enthalpies of metal alloys.

  8. Machine Learning and Cosmological Simulations II: Hydrodynamical Simulations

    CERN Document Server

    Kamdar, Harshil M; Brunner, Robert J

    2015-01-01

    We extend a machine learning (ML) framework presented previously to model galaxy formation and evolution in a hierarchical universe using N-body + hydrodynamical simulations. In this work, we show that ML is a promising technique to study galaxy formation in the backdrop of a hydrodynamical simulation. We use the Illustris Simulation to train and test various sophisticated machine learning algorithms. By using only essential dark matter halo physical properties and no merger history, our model predicts the gas mass, stellar mass, black hole mass, star formation rate, $g-r$ color, and stellar metallicity fairly robustly. Our results provide a unique and powerful phenomenological framework to explore the galaxy-halo connection that is built upon a solid hydrodynamical simulation. The promising reproduction of the listed galaxy properties demonstrably place ML as a promising and a significantly more computationally efficient tool to study small-scale structure formation. We find that ML mimics a full-blown hydro...

  9. Estimating extinction using unsupervised machine learning

    Science.gov (United States)

    Meingast, Stefan; Lombardi, Marco; Alves, João

    2017-05-01

    Dust extinction is the most robust tracer of the gas distribution in the interstellar medium, but measuring extinction is limited by the systematic uncertainties involved in estimating the intrinsic colors to background stars. In this paper we present a new technique, Pnicer, that estimates intrinsic colors and extinction for individual stars using unsupervised machine learning algorithms. This new method aims to be free from any priors with respect to the column density and intrinsic color distribution. It is applicable to any combination of parameters and works in arbitrary numbers of dimensions. Furthermore, it is not restricted to color space. Extinction toward single sources is determined by fitting Gaussian mixture models along the extinction vector to (extinction-free) control field observations. In this way it becomes possible to describe the extinction for observed sources with probability densities, rather than a single value. Pnicer effectively eliminates known biases found in similar methods and outperforms them in cases of deep observational data where the number of background galaxies is significant, or when a large number of parameters is used to break degeneracies in the intrinsic color distributions. This new method remains computationally competitive, making it possible to correctly de-redden millions of sources within a matter of seconds. With the ever-increasing number of large-scale high-sensitivity imaging surveys, Pnicer offers a fast and reliable way to efficiently calculate extinction for arbitrary parameter combinations without prior information on source characteristics. The Pnicer software package also offers access to the well-established Nicer technique in a simple unified interface and is capable of building extinction maps including the Nicest correction for cloud substructure. Pnicer is offered to the community as an open-source software solution and is entirely written in Python.

  10. Machine Learning Assessments of Soil Drying

    Science.gov (United States)

    Coopersmith, E. J.; Minsker, B. S.; Wenzel, C.; Gilmore, B. J.

    2011-12-01

    Agricultural activities require the use of heavy equipment and vehicles on unpaved farmlands. When soil conditions are wet, equipment can cause substantial damage, leaving deep ruts. In extreme cases, implements can sink and become mired, causing considerable delays and expense to extricate the equipment. Farm managers, who are often located remotely, cannot assess sites before allocating equipment, causing considerable difficulty in reliably assessing conditions of countless sites with any reliability and frequency. For example, farmers often trace serpentine paths of over one hundred miles each day to assess the overall status of various tracts of land spanning thirty, forty, or fifty miles in each direction. One means of assessing the moisture content of a field lies in the strategic positioning of remotely-monitored in situ sensors. Unfortunately, land owners are often reluctant to place sensors across their properties due to the significant monetary cost and complexity. This work aspires to overcome these limitations by modeling the process of wetting and drying statistically - remotely assessing field readiness using only information that is publically accessible. Such data includes Nexrad radar and state climate network sensors, as well as Twitter-based reports of field conditions for validation. Three algorithms, classification trees, k-nearest-neighbors, and boosted perceptrons are deployed to deliver statistical field readiness assessments of an agricultural site located in Urbana, IL. Two of the three algorithms performed with 92-94% accuracy, with the majority of misclassifications falling within the calculated margins of error. This demonstrates the feasibility of using a machine learning framework with only public data, knowledge of system memory from previous conditions, and statistical tools to assess "readiness" without the need for real-time, on-site physical observation. Future efforts will produce a workflow assimilating Nexrad, climate network

  11. Machine Learning Algorithms in Web Page Classification

    Directory of Open Access Journals (Sweden)

    W.A.AWAD

    2012-11-01

    Full Text Available In this paper we use machine learning algorithms like SVM, KNN and GIS to perform a behaviorcomparison on the web pages classifications problem, from the experiment we see in the SVM with smallnumber of negative documents to build the centroids has the smallest storage requirement and the least online test computation cost. But almost all GIS with different number of nearest neighbors have an evenhigher storage requirement and on line test computation cost than KNN. This suggests that some futurework should be done to try to reduce the storage requirement and on list test cost of GIS.

  12. Machine Learning and Sensor Fusion for Estimating Continuous Energy Expenditure

    OpenAIRE

    Vyas, Nisarg; BodyMedia, Inc.; Farringdon, Jonathan; BodyMedia Inc.; Andre, David; Cerebellum Capital, Inc.; Stivoric, John Ivo; BodyMedia

    2012-01-01

    In this article we provide insight into the BodyMedia FIT armband system — a wearable multi-sensor technology that continuously monitors physiological events related to energy expenditure for weight management using machine learning and data modeling methods. Since becoming commercially available in 2001, more than half a million users have used the system to track their physiological parameters and to achieve their individual health goals including weight-loss. We describe several challenges...

  13. Evaluating machine learning classification for financial trading: An empirical approach

    OpenAIRE

    Gerlein, EA; McGinnity, M; Belatreche, A; Coleman, S.

    2016-01-01

    Technical and quantitative analysis in financial trading use mathematical and statistical tools to help investors decide on the optimum moment to initiate and close orders. While these traditional approaches have served their purpose to some extent, new techniques arising from the field of computational intelligence such as machine learning and data mining have emerged to analyse financial information. While the main financial engineering research has focused on complex computational models s...

  14. Pileup Subtraction and Jet Energy Prediction Using Machine Learning

    CERN Document Server

    Kong, Vein S; Zhang, Yujia

    2015-01-01

    In the Large Hardron Collider (LHC), multiple proton-proton collisions cause pileup in reconstructing energy information for a single primary collision (jet). This project aims to select the most important features and create a model to accurately estimate jet energy. Different machine learning methods were explored, including linear regression, support vector regression and decision tree. The best result is obtained by linear regression with predictive features and the performance is improved significantly from the baseline method.

  15. Forecasting daily and monthly exchange rates with machine learning techniques

    OpenAIRE

    Papadimitriou, Theophilos; Gogas, Periklis; Plakandaras, Vasilios

    2013-01-01

    We combine signal processing to machine learning methodologies by introducing a hybrid Ensemble Empirical Mode Decomposition (EEMD), Multivariate Adaptive Regression Splines (MARS) and Support Vector Regression (SVR) model in order to forecast the monthly and daily Euro (EUR)/United States Dollar (USD), USD/Japanese Yen (JPY), Australian Dollar (AUD)/Norwegian Krone (NOK), New Zealand Dollar (NZD)/Brazilian Real (BRL) and South African Rand (ZAR)/Philippine Peso (PHP) exchange rates. After th...

  16. Probabilistic forecasting of wind power generation using extreme learning machine

    DEFF Research Database (Denmark)

    Wan, Can; Xu, Zhao; Pinson, Pierre

    2014-01-01

    an extreme learning machine (ELM)-based probabilistic forecasting method for wind power generation. To account for the uncertainties in the forecasting results, several bootstrapmethods have been compared for modeling the regression uncertainty, based on which the pairs bootstrap method is identified...... demonstrate that the proposed method is effective for probabilistic forecasting of wind power generation with a high potential for practical applications in power systems....

  17. Medical Dataset Classification: A Machine Learning Paradigm Integrating Particle Swarm Optimization with Extreme Learning Machine Classifier

    OpenAIRE

    C. V. Subbulakshmi; Deepa, S. N.

    2015-01-01

    Medical data classification is a prime data mining problem being discussed about for a decade that has attracted several researchers around the world. Most classifiers are designed so as to learn from the data itself using a training process, because complete expert knowledge to determine classifier parameters is impracticable. This paper proposes a hybrid methodology based on machine learning paradigm. This paradigm integrates the successful exploration mechanism called self-regulated learni...

  18. Statistical and machine learning approaches for network analysis

    CERN Document Server

    Dehmer, Matthias

    2012-01-01

    Explore the multidisciplinary nature of complex networks through machine learning techniques Statistical and Machine Learning Approaches for Network Analysis provides an accessible framework for structurally analyzing graphs by bringing together known and novel approaches on graph classes and graph measures for classification. By providing different approaches based on experimental data, the book uniquely sets itself apart from the current literature by exploring the application of machine learning techniques to various types of complex networks. Comprised of chapters written by internation

  19. Cells, Agents, and Support Vectors in Interaction - Modeling Urban Sprawl based on Machine Learning and Artificial Intelligence Techniques in a Post-Industrial Region

    Science.gov (United States)

    Rienow, A.; Menz, G.

    2015-12-01

    Since the beginning of the millennium, artificial intelligence techniques as cellular automata (CA) and multi-agent systems (MAS) have been incorporated into land-system simulations to address the complex challenges of transitions in urban areas as open, dynamic systems. The study presents a hybrid modeling approach for modeling the two antagonistic processes of urban sprawl and urban decline at once. The simulation power of support vector machines (SVM), cellular automata (CA) and multi-agent systems (MAS) are integrated into one modeling framework and applied to the largest agglomeration of Central Europe: the Ruhr. A modified version of SLEUTH (short for Slope, Land-use, Exclusion, Urban, Transport, and Hillshade) functions as the CA component. SLEUTH makes use of historic urban land-use data sets and growth coefficients for the purpose of modeling physical urban expansion. The machine learning algorithm of SVM is applied in order to enhance SLEUTH. Thus, the stochastic variability of the CA is reduced and information about the human and ecological forces driving the local suitability of urban sprawl is incorporated. Subsequently, the supported CA is coupled with the MAS ReHoSh (Residential Mobility and the Housing Market of Shrinking City Systems). The MAS models population patterns, housing prices, and housing demand in shrinking regions based on interactions between household and city agents. Semi-explicit urban weights are introduced as a possibility of modeling from and to the pixel simultaneously. Three scenarios of changing housing preferences reveal the urban development of the region in terms of quantity and location. They reflect the dissemination of sustainable thinking among stakeholders versus the steady dream of owning a house in sub- and exurban areas. Additionally, the outcomes are transferred into a digital petri dish reflecting a synthetic environment with perfect conditions of growth. Hence, the generic growth elements affecting the future

  20. Analysis of Machine Learning Techniques for Heart Failure Readmissions.

    Science.gov (United States)

    Mortazavi, Bobak J; Downing, Nicholas S; Bucholz, Emily M; Dharmarajan, Kumar; Manhapra, Ajay; Li, Shu-Xia; Negahban, Sahand N; Krumholz, Harlan M

    2016-11-01

    The current ability to predict readmissions in patients with heart failure is modest at best. It is unclear whether machine learning techniques that address higher dimensional, nonlinear relationships among variables would enhance prediction. We sought to compare the effectiveness of several machine learning algorithms for predicting readmissions. Using data from the Telemonitoring to Improve Heart Failure Outcomes trial, we compared the effectiveness of random forests, boosting, random forests combined hierarchically with support vector machines or logistic regression (LR), and Poisson regression against traditional LR to predict 30- and 180-day all-cause readmissions and readmissions because of heart failure. We randomly selected 50% of patients for a derivation set, and a validation set comprised the remaining patients, validated using 100 bootstrapped iterations. We compared C statistics for discrimination and distributions of observed outcomes in risk deciles for predictive range. In 30-day all-cause readmission prediction, the best performing machine learning model, random forests, provided a 17.8% improvement over LR (mean C statistics, 0.628 and 0.533, respectively). For readmissions because of heart failure, boosting improved the C statistic by 24.9% over LR (mean C statistic 0.678 and 0.543, respectively). For 30-day all-cause readmission, the observed readmission rates in the lowest and highest deciles of predicted risk with random forests (7.8% and 26.2%, respectively) showed a much wider separation than LR (14.2% and 16.4%, respectively). Machine learning methods improved the prediction of readmission after hospitalization for heart failure compared with LR and provided the greatest predictive range in observed readmission rates. © 2016 American Heart Association, Inc.

  1. Predicting genome-wide redundancy using machine learning

    Directory of Open Access Journals (Sweden)

    Shasha Dennis E

    2010-11-01

    Full Text Available Abstract Background Gene duplication can lead to genetic redundancy, which masks the function of mutated genes in genetic analyses. Methods to increase sensitivity in identifying genetic redundancy can improve the efficiency of reverse genetics and lend insights into the evolutionary outcomes of gene duplication. Machine learning techniques are well suited to classifying gene family members into redundant and non-redundant gene pairs in model species where sufficient genetic and genomic data is available, such as Arabidopsis thaliana, the test case used here. Results Machine learning techniques that combine multiple attributes led to a dramatic improvement in predicting genetic redundancy over single trait classifiers alone, such as BLAST E-values or expression correlation. In withholding analysis, one of the methods used here, Support Vector Machines, was two-fold more precise than single attribute classifiers, reaching a level where the majority of redundant calls were correctly labeled. Using this higher confidence in identifying redundancy, machine learning predicts that about half of all genes in Arabidopsis showed the signature of predicted redundancy with at least one but typically less than three other family members. Interestingly, a large proportion of predicted redundant gene pairs were relatively old duplications (e.g., Ks > 1, suggesting that redundancy is stable over long evolutionary periods. Conclusions Machine learning predicts that most genes will have a functionally redundant paralog but will exhibit redundancy with relatively few genes within a family. The predictions and gene pair attributes for Arabidopsis provide a new resource for research in genetics and genome evolution. These techniques can now be applied to other organisms.

  2. Medical Dataset Classification: A Machine Learning Paradigm Integrating Particle Swarm Optimization with Extreme Learning Machine Classifier

    Directory of Open Access Journals (Sweden)

    C. V. Subbulakshmi

    2015-01-01

    Full Text Available Medical data classification is a prime data mining problem being discussed about for a decade that has attracted several researchers around the world. Most classifiers are designed so as to learn from the data itself using a training process, because complete expert knowledge to determine classifier parameters is impracticable. This paper proposes a hybrid methodology based on machine learning paradigm. This paradigm integrates the successful exploration mechanism called self-regulated learning capability of the particle swarm optimization (PSO algorithm with the extreme learning machine (ELM classifier. As a recent off-line learning method, ELM is a single-hidden layer feedforward neural network (FFNN, proved to be an excellent classifier with large number of hidden layer neurons. In this research, PSO is used to determine the optimum set of parameters for the ELM, thus reducing the number of hidden layer neurons, and it further improves the network generalization performance. The proposed method is experimented on five benchmarked datasets of the UCI Machine Learning Repository for handling medical dataset classification. Simulation results show that the proposed approach is able to achieve good generalization performance, compared to the results of other classifiers.

  3. Medical Dataset Classification: A Machine Learning Paradigm Integrating Particle Swarm Optimization with Extreme Learning Machine Classifier.

    Science.gov (United States)

    Subbulakshmi, C V; Deepa, S N

    2015-01-01

    Medical data classification is a prime data mining problem being discussed about for a decade that has attracted several researchers around the world. Most classifiers are designed so as to learn from the data itself using a training process, because complete expert knowledge to determine classifier parameters is impracticable. This paper proposes a hybrid methodology based on machine learning paradigm. This paradigm integrates the successful exploration mechanism called self-regulated learning capability of the particle swarm optimization (PSO) algorithm with the extreme learning machine (ELM) classifier. As a recent off-line learning method, ELM is a single-hidden layer feedforward neural network (FFNN), proved to be an excellent classifier with large number of hidden layer neurons. In this research, PSO is used to determine the optimum set of parameters for the ELM, thus reducing the number of hidden layer neurons, and it further improves the network generalization performance. The proposed method is experimented on five benchmarked datasets of the UCI Machine Learning Repository for handling medical dataset classification. Simulation results show that the proposed approach is able to achieve good generalization performance, compared to the results of other classifiers.

  4. Machine Learning: developing an image recognition program : with Python, Scikit Learn and OpenCV

    OpenAIRE

    Nguyen, Minh

    2016-01-01

    Machine Learning is one of the most debated topic in computer world these days, especially after the first Computer Go program has beaten human Go world champion. Among endless application of Machine Learning, image recognition, which problem is processing enormous amount of data from dynamic input. This thesis will present the basic concept of Machine Learning, Machine Learning algorithms, Python programming language and Scikit Learn – a simple and efficient tool for data analysis in P...

  5. Decision Support System for Diabetes Mellitus through Machine Learning Techniques

    Directory of Open Access Journals (Sweden)

    Tarik A. Rashid

    2016-07-01

    Full Text Available recently, the diseases of diabetes mellitus have grown into extremely feared problems that can have damaging effects on the health condition of their sufferers globally. In this regard, several machine learning models have been used to predict and classify diabetes types. Nevertheless, most of these models attempted to solve two problems; categorizing patients in terms of diabetic types and forecasting blood surge rate of patients. This paper presents an automatic decision support system for diabetes mellitus through machine learning techniques by taking into account the above problems, plus, reflecting the skills of medical specialists who believe that there is a great relationship between patient’s symptoms with some chronic diseases and the blood sugar rate. Data sets are collected from Layla Qasim Clinical Center in Kurdistan Region, then, the data is cleaned and proposed using feature selection techniques such as Sequential Forward Selection and the Correlation Coefficient, finally, the refined data is fed into machine learning models for prediction, classification, and description purposes. This system enables physicians and doctors to provide diabetes mellitus (DM patients good health treatments and recommendations.

  6. Visual quality assessment by machine learning

    CERN Document Server

    Xu, Long; Kuo, C -C Jay

    2015-01-01

    The book encompasses the state-of-the-art visual quality assessment (VQA) and learning based visual quality assessment (LB-VQA) by providing a comprehensive overview of the existing relevant methods. It delivers the readers the basic knowledge, systematic overview and new development of VQA. It also encompasses the preliminary knowledge of Machine Learning (ML) to VQA tasks and newly developed ML techniques for the purpose. Hence, firstly, it is particularly helpful to the beginner-readers (including research students) to enter into VQA field in general and LB-VQA one in particular. Secondly, new development in VQA and LB-VQA particularly are detailed in this book, which will give peer researchers and engineers new insights in VQA.

  7. In Silico Calculation of Infinite Dilution Activity Coefficients of Molecular Solutes in Ionic Liquids: Critical Review of Current Methods and New Models Based on Three Machine Learning Algorithms.

    Science.gov (United States)

    Paduszyński, Kamil

    2016-08-22

    The aim of the paper is to address all the disadvantages of currently available models for calculating infinite dilution activity coefficients (γ(∞)) of molecular solutes in ionic liquids (ILs)-a relevant property from the point of view of many applications of ILs, particularly in separations. Three new models are proposed, each of them based on distinct machine learning algorithm: stepwise multiple linear regression (SWMLR), feed-forward artificial neural network (FFANN), and least-squares support vector machine (LSSVM). The models were established based on the most comprehensive γ(∞) data bank reported so far (>34 000 data points for 188 ILs and 128 solutes). Following the paper published previously [J. Chem. Inf. Model 2014, 54, 1311-1324], the ILs were treated in terms of group contributions, whereas the Abraham solvation parameters were used to quantify an impact of solute structure. Temperature is also included in the input data of the models so that they can be utilized to obtain temperature-dependent data and thus related thermodynamic functions. Both internal and external validation techniques were applied to assess the statistical significance and explanatory power of the final correlations. A comparative study of the overall performance of the investigated SWMLR/FFANN/LSSVM approaches is presented in terms of root-mean-square error and average absolute relative deviation between calculated and experimental γ(∞), evaluated for different families of ILs and solutes, as well as between calculated and experimental infinite dilution selectivity for separation problems benzene from n-hexane and thiophene from n-heptane. LSSVM is shown to be a method with the lowest values of both training and generalization errors. It is finally demonstrated that the established models exhibit an improved accuracy compared to the state-of-the-art model, namely, temperature-dependent group contribution linear solvation energy relationship, published in 2011 [J. Chem

  8. Machine-learning-assisted materials discovery using failed experiments

    Science.gov (United States)

    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

  9. Machine-learning-assisted materials discovery using failed experiments.

    Science.gov (United States)

    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

    2016-05-05

    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

  10. A Fast Reduced Kernel Extreme Learning Machine.

    Science.gov (United States)

    Deng, Wan-Yu; Ong, Yew-Soon; Zheng, Qing-Hua

    2016-04-01

    In this paper, we present a fast and accurate kernel-based supervised algorithm referred to as the Reduced Kernel Extreme Learning Machine (RKELM). In contrast to the work on Support Vector Machine (SVM) or Least Square SVM (LS-SVM), which identifies the support vectors or weight vectors iteratively, the proposed RKELM randomly selects a subset of the available data samples as support vectors (or mapping samples). By avoiding the iterative steps of SVM, significant cost savings in the training process can be readily attained, especially on Big datasets. RKELM is established based on the rigorous proof of universal learning involving reduced kernel-based SLFN. In particular, we prove that RKELM can approximate any nonlinear functions accurately under the condition of support vectors sufficiency. Experimental results on a wide variety of real world small instance size and large instance size applications in the context of binary classification, multi-class problem and regression are then reported to show that RKELM can perform at competitive level of generalized performance as the SVM/LS-SVM at only a fraction of the computational effort incurred.

  11. Evolving Neural Turing Machines for Reward-based Learning

    DEFF Research Database (Denmark)

    Jacobsen, Emil Juul; Risi, Sebastian; Greve, Rasmus Boll

    2016-01-01

    and integrating new information without losing previously acquired skills. Here we build on recent work by Graves et al. [5] who extended the capabilities of an ANN by combining it with an external memory bank trained through gradient descent. In this paper, we introduce an evolvable version of their Neural...... Turing Machine (NTM) and show that such an approach greatly simplifies the neural model, generalizes better, and does not require accessing the entire memory content at each time-step. The Evolvable Neural Turing Machine (ENTM) is able to solve a simple copy tasks and for the first time, the continuous...... version of the double T-Maze, a complex reinforcement-like learning problem. In the T-Maze learning task the agent uses the memory bank to display adaptive behavior that normally requires a plastic ANN, thereby suggesting a complementary and effective mechanism for adaptive behavior in NE....

  12. Machine Learning Methods for Attack Detection in the Smart Grid.

    Science.gov (United States)

    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.

  13. Broiler chickens can benefit from machine learning: support vector machine analysis of observational epidemiological data.

    Science.gov (United States)

    Hepworth, Philip J; Nefedov, Alexey V; Muchnik, Ilya B; Morgan, Kenton L

    2012-08-07

    Machine-learning algorithms pervade our daily lives. In epidemiology, supervised machine learning has the potential for classification, diagnosis and risk factor identification. Here, we report the use of support vector machine learning to identify the features associated with hock burn on commercial broiler farms, using routinely collected farm management data. These data lend themselves to analysis using machine-learning techniques. Hock burn, dermatitis of the skin over the hock, is an important indicator of broiler health and welfare. Remarkably, this classifier can predict the occurrence of high hock burn prevalence with accuracy of 0.78 on unseen data, as measured by the area under the receiver operating characteristic curve. We also compare the results with those obtained by standard multi-variable logistic regression and suggest that this technique provides new insights into the data. This novel application of a machine-learning algorithm, embedded in poultry management systems could offer significant improvements in broiler health and welfare worldwide.

  14. Weka machine learning for predicting the phospholipidosis inducing potential.

    Science.gov (United States)

    Ivanciuc, Ovidiu

    2008-01-01

    The drug discovery and development process is lengthy and expensive, and bringing a drug to market may take up to 18 years and may cost up to 2 billion $US. The extensive use of computer-assisted drug design techniques may considerably increase the chances of finding valuable drug candidates, thus decreasing the drug discovery time and costs. The most important computational approach is represented by structure-activity relationships that can discriminate between sets of chemicals that are active/inactive towards a certain biological receptor. An adverse effect of some cationic amphiphilic drugs is phospholipidosis that manifests as an intracellular accumulation of phospholipids and formation of concentric lamellar bodies. Here we present structure-activity relationships (SAR) computed with a wide variety of machine learning algorithms trained to identify drugs that have phospholipidosis inducing potential. All SAR models are developed with the machine learning software Weka, and include both classical algorithms, such as k-nearest neighbors and decision trees, as well as recently introduced methods, such as support vector machines and artificial immune systems. The best predictions are obtained with support vector machines, followed by perceptron artificial neural network, logistic regression, and k-nearest neighbors.

  15. GIS-based groundwater potential mapping using boosted regression tree, classification and regression tree, and random forest machine learning models in Iran.

    Science.gov (United States)

    Naghibi, Seyed Amir; Pourghasemi, Hamid Reza; Dixon, Barnali

    2016-01-01

    Groundwater is considered one of the most valuable fresh water resources. The main objective of this study was to produce groundwater spring potential maps in the Koohrang Watershed, Chaharmahal-e-Bakhtiari Province, Iran, using three machine learning models: boosted regression tree (BRT), classification and regression tree (CART), and random forest (RF). Thirteen hydrological-geological-physiographical (HGP) factors that influence locations of springs were considered in this research. These factors include slope degree, slope aspect, altitude, topographic wetness index (TWI), slope length (LS), plan curvature, profile curvature, distance to rivers, distance to faults, lithology, land use, drainage density, and fault density. Subsequently, groundwater spring potential was modeled and mapped using CART, RF, and BRT algorithms. The predicted results from the three models were validated using the receiver operating characteristics curve (ROC). From 864 springs identified, 605 (≈70 %) locations were used for the spring potential mapping, while the remaining 259 (≈30 %) springs were used for the model validation. The area under the curve (AUC) for the BRT model was calculated as 0.8103 and for CART and RF the AUC were 0.7870 and 0.7119, respectively. Therefore, it was concluded that the BRT model produced the best prediction results while predicting locations of springs followed by CART and RF models, respectively. Geospatially integrated BRT, CART, and RF methods proved to be useful in generating the spring potential map (SPM) with reasonable accuracy.

  16. Using machine learning to classify image features from canine pelvic radiographs: evaluation of partial least squares discriminant analysis and artificial neural network models.

    Science.gov (United States)

    McEvoy, Fintan J; Amigo, José M

    2013-01-01

    As the number of images per study increases in the field of veterinary radiology, there is a growing need for computer-assisted diagnosis techniques. The purpose of this study was to evaluate two machine learning statistical models for automatically identifying image regions that contain the canine hip joint on ventrodorsal pelvis radiographs. A training set of images (120 of the hip and 80 from other regions) was used to train a linear partial least squares discriminant analysis (PLS-DA) model and a nonlinear artificial neural network (ANN) model to classify hip images. Performance of the models was assessed using a separate test image set (36 containing hips and 20 from other areas). Partial least squares discriminant analysis model achieved a classification error, sensitivity, and specificity of 6.7%, 100%, and 89%, respectively. The corresponding values for the ANN model were 8.9%, 86%, and 100%. Findings indicated that statistical classification of veterinary images is feasible and has the potential for grouping and classifying images or image features, especially when a large number of well-classified images are available for model training. © 2012 Veterinary Radiology & Ultrasound.

  17. A finite element-based machine learning approach for modeling the mechanical behavior of the breast tissues under compression in real-time.

    Science.gov (United States)

    Martínez-Martínez, F; Rupérez-Moreno, M J; Martínez-Sober, M; Solves-Llorens, J A; Lorente, D; Serrano-López, A J; Martínez-Sanchis, S; Monserrat, C; Martín-Guerrero, J D

    2017-09-28

    This work presents a data-driven method to simulate, in real-time, the biomechanical behavior of the breast tissues in some image-guided interventions such as biopsies or radiotherapy dose delivery as well as to speed up multimodal registration algorithms. Ten real breasts were used for this work. Their deformation due to the displacement of two compression plates was simulated off-line using the finite element (FE) method. Three machine learning models were trained with the data from those simulations. Then, they were used to predict in real-time the deformation of the breast tissues during the compression. The models were a decision tree and two tree-based ensemble methods (extremely randomized trees and random forest). Two different experimental setups were designed to validate and study the performance of these models under different conditions. The mean 3D Euclidean distance between nodes predicted by the models and those extracted from the FE simulations was calculated to assess the performance of the models in the validation set. The experiments proved that extremely randomized trees performed better than the other two models. The mean error committed by the three models in the prediction of the nodal displacements was under 2 mm, a threshold usually set for clinical applications. The time needed for breast compression prediction is sufficiently short to allow its use in real-time (<0.2 s). Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Improving diagnostic recognition of primary hyperparathyroidism with machine learning.

    Science.gov (United States)

    Somnay, Yash R; Craven, Mark; McCoy, Kelly L; Carty, Sally E; Wang, Tracy S; Greenberg, Caprice C; Schneider, David F

    2017-04-01

    Parathyroidectomy offers the only cure for primary hyperparathyroidism, but today only 50% of primary hyperparathyroidism patients are referred for operation, in large part, because the condition is widely under-recognized. The diagnosis of primary hyperparathyroidism can be especially challenging with mild biochemical indices. Machine learning is a collection of methods in which computers build predictive algorithms based on labeled examples. With the aim of facilitating diagnosis, we tested the ability of machine learning to distinguish primary hyperparathyroidism from normal physiology using clinical and laboratory data. This retrospective cohort study used a labeled training set and 10-fold cross-validation to evaluate accuracy of the algorithm. Measures of accuracy included area under the receiver operating characteristic curve, precision (sensitivity), and positive and negative predictive value. Several different algorithms and ensembles of algorithms were tested using the Weka platform. Among 11,830 patients managed operatively at 3 high-volume endocrine surgery programs from March 2001 to August 2013, 6,777 underwent parathyroidectomy for confirmed primary hyperparathyroidism, and 5,053 control patients without primary hyperparathyroidism underwent thyroidectomy. Test-set accuracies for machine learning models were determined using 10-fold cross-validation. Age, sex, and serum levels of preoperative calcium, phosphate, parathyroid hormone, vitamin D, and creatinine were defined as potential predictors of primary hyperparathyroidism. Mild primary hyperparathyroidism was defined as primary hyperparathyroidism with normal preoperative calcium or parathyroid hormone levels. After testing a variety of machine learning algorithms, Bayesian network models proved most accurate, classifying correctly 95.2% of all primary hyperparathyroidism patients (area under receiver operating characteristic = 0.989). Omitting parathyroid hormone from the model did not

  19. Novel Automatic Filter-Class Feature Selection for Machine Learning Regression

    DEFF Research Database (Denmark)

    Wollsen, Morten Gill; Hallam, John; Jørgensen, Bo Nørregaard

    2017-01-01

    With the increased focus on application of Big Data in all sectors of society, the performance of machine learning becomes essential. Efficient machine learning depends on efficient feature selection algorithms. Filter feature selection algorithms are model-free and therefore very fast, but require...... model in the feature selection process. PCA is often used in machine learning litterature and can be considered the default feature selection method. RDESF outperformed PCA in both experiments in both prediction error and computational speed. RDESF is a new step into filter-based automatic feature...

  20. Novel Automatic Filter-Class Feature Selection for Machine Learning Regression

    DEFF Research Database (Denmark)

    Wollsen, Morten Gill; Hallam, John; Jørgensen, Bo Nørregaard

    2016-01-01

    With the increased focus on application of Big Data in all sectors of society, the performance of machine learning becomes essential. Efficient machine learning depends on efficient feature selection algorithms. Filter feature selection algorithms are model-free and therefore very fast, but require...... model in the feature selection process. PCA is often used in machine learning litterature and can be considered the default feature selection method. RDESF outperformed PCA in both experiments in both prediction error and computational speed. RDESF is a new step into filter-based automatic feature...

  1. Quantum machine learning what quantum computing means to data mining

    CERN Document Server

    Wittek, Peter

    2014-01-01

    Quantum Machine Learning bridges the gap between abstract developments in quantum computing and the applied research on machine learning. Paring down the complexity of the disciplines involved, it focuses on providing a synthesis that explains the most important machine learning algorithms in a quantum framework. Theoretical advances in quantum computing are hard to follow for computer scientists, and sometimes even for researchers involved in the field. The lack of a step-by-step guide hampers the broader understanding of this emergent interdisciplinary body of research. Quantum Machine L

  2. Fundamentals of Machine Learning for Neural Machine Translation

    OpenAIRE

    Kelleher, John

    2016-01-01

    This paper presents a short introduction to neural networks and how they are used for machine translation and concludes with some discussion on the current research challenges being addressed by neural machine translation (NMT) research. The primary goal of this paper is to give a no-tears introduction to NMT to readers that do not have a computer science or mathematical background. The secondary goal is to provide the reader with a deep enough understanding of NMT that they can appreciate th...

  3. Development of an artificial neural network based multi-model ensemble to estimate the northeast monsoon rainfall over south peninsular India: an application of extreme learning machine

    Science.gov (United States)

    Acharya, Nachiketa; Shrivastava, Nitin Anand; Panigrahi, B. K.; Mohanty, U. C.

    2014-09-01

    The south peninsular part of India gets maximum amount of rainfall during the northeast monsoon (NEM) season [October to November (OND)] which is the primary source of water for the agricultural activities in this region. A nonlinear method viz., Extreme learning machine (ELM) has been employed on general circulation model (GCM) products to make the multi-model ensemble (MME) based estimation of NEM rainfall (NEMR). The ELM is basically is an improved learning algorithm for the single feed-forward neural network (SLFN) architecture. The 27 year (1982-2008) lead-1 (using initial conditions of September for forecasting the mean rainfall of OND) hindcast runs (1982-2008) from seven GCM has been used to make MME. The improvement of the proposed method with respect to other regular MME (simple arithmetic mean of GCMs (EM) and singular value decomposition based multiple linear regressions based MME) has been assessed through several skill metrics like Spread distribution, multiplicative bias, prediction errors, the yield of prediction, Pearson's and Kendal's correlation coefficient and Wilmort's index of agreement. The efficiency of ELM estimated rainfall is established by all the stated skill scores. The performance of ELM in extreme NEMR years, out of which 4 years are characterized by deficit rainfall and 5 years are identified as excess, is also examined. It is found that the ELM could expeditiously capture these extremes reasonably well as compared to the other MME approaches.

  4. Building Energy Models Based on Machine Learning Methods%基于机器学习的建筑能耗模型适用性研究

    Institute of Scientific and Technical Information of China (English)

    田玮; 魏来; 李占勇; 孟庆新; 宋继田; 杨松

    2016-01-01

    This paper focuses on a comparison of predicting accuracy of six different machine learning approaches for estimating energy use in office buildings,including linear regression,GP(Gaussian process),MARS(multivariate adaptive regression splines),bagging MARS,RF(random forest) and SVM(support vector machine).The results indicate that three methods(Bagging MARS,MARS,and RF)have better accuracy in predicting heating energy, whereas the bagging MARS performs best in estimating cooling energy.It is also found out that the prediction of cool-ing energy is more difficult than that of heating energy in office buildings.These conclusions can be used to provide some reference for machine learning method choosing in building energy assessment.Moreover,the models obtained from this research can also be used to create a building stock model at urban scales.%为进一步分析不同机器学习方法用于建筑能耗模型的适用性,重点比较了6种常用机器学习方法用于预测办公建筑能耗时的准确性,包括线性回归、高斯过程、多元自适应回归样条法、自助多元自适应回归样条法、随机森林和支持向量机。结果表明:多元自适应回归样条法、自助多元自适应回归样条法和随机森林法适用于取暖能耗的模型建立;对于制冷能耗预测,自助多元自适应回归样条法的计算精度最高。同时发现制冷能耗与取暖能耗相比,由于存在更加复杂的非线性关系,其预测难度更大。研究结果不仅可用于在建筑节能分析中确定最佳机器学习方法,而且所得机器学习方法可用于城市建筑能耗模型的建立。

  5. Machine Learning Based Diagnosis of Lithium Batteries

    Science.gov (United States)

    Ibe-Ekeocha, Chinemerem Christopher

    The depletion of the world's current petroleum reserve, coupled with the negative effects of carbon monoxide and other harmful petrochemical by-products on the environment, is the driving force behind the movement towards renewable and sustainable energy sources. Furthermore, the growing transportation sector consumes a significant portion of the total energy used in the United States. A complete electrification of this sector would require a significant development in electric vehicles (EVs) and hybrid electric vehicles (HEVs), thus translating to a reduction in the carbon footprint. As the market for EVs and HEVs grows, their battery management systems (BMS) need to be improved accordingly. The BMS is not only responsible for optimally charging and discharging the battery, but also monitoring battery's state of charge (SOC) and state of health (SOH). SOC, similar to an energy gauge, is a representation of a battery's remaining charge level as a percentage of its total possible charge at full capacity. Similarly, SOH is a measure of deterioration of a battery; thus it is a representation of the battery's age. Both SOC and SOH are not measurable, so it is important that these quantities are estimated accurately. An inaccurate estimation could not only be inconvenient for EV consumers, but also potentially detrimental to battery's performance and life. Such estimations could be implemented either online, while battery is in use, or offline when battery is at rest. This thesis presents intelligent online SOC and SOH estimation methods using machine learning tools such as artificial neural network (ANN). ANNs are a powerful generalization tool if programmed and trained effectively. Unlike other estimation strategies, the techniques used require no battery modeling or knowledge of battery internal parameters but rather uses battery's voltage, charge/discharge current, and ambient temperature measurements to accurately estimate battery's SOC and SOH. The developed

  6. WORMHOLE: Novel Least Diverged Ortholog Prediction through Machine Learning.

    Science.gov (United States)

    Sutphin, George L; Mahoney, J Matthew; Sheppard, Keith; Walton, David O; Korstanje, Ron

    2016-11-01

    The rapid advancement of technology in genomics and targeted genetic manipulation has made comparative biology an increasingly prominent strategy to model human disease processes. Predicting orthology relationships between species is a vital component of comparative biology. Dozens of strategies for predicting orthologs have been developed using combinations of gene and protein sequence, phylogenetic history, and functional interaction with progressively increasing accuracy. A relatively new class of orthology prediction strategies combines aspects of multiple methods into meta-tools, resulting in improved prediction performance. Here we present WORMHOLE, a novel ortholog prediction meta-tool that applies machine learning to integrate 17 distinct ortholog prediction algorithms to identify novel least diverged orthologs (LDOs) between 6 eukaryotic species-humans, mice, zebrafish, fruit flies, nematodes, and budding yeast. Machine learning allows WORMHOLE to intelligently incorporate predictions from a wide-spectrum of strategies in order to form aggregate predictions of LDOs with high confidence. In this study we demonstrate the performance of WORMHOLE across each combination of query and target species. We show that WORMHOLE is particularly adept at improving LDO prediction performance between distantly related species, expanding the pool of LDOs while maintaining low evolutionary distance and a high level of functional relatedness between genes in LDO pairs. We present extensive validation, including cross-validated prediction of PANTHER LDOs and evaluation of evolutionary divergence and functional similarity, and discuss future applications of machine learning in ortholog prediction. A WORMHOLE web tool has been developed and is available at http://wormhole.jax.org/.

  7. WORMHOLE: Novel Least Diverged Ortholog Prediction through Machine Learning.

    Directory of Open Access Journals (Sweden)

    George L Sutphin

    2016-11-01

    Full Text Available The rapid advancement of technology in genomics and targeted genetic manipulation has made comparative biology an increasingly prominent strategy to model human disease processes. Predicting orthology relationships between species is a vital component of comparative biology. Dozens of strategies for predicting orthologs have been developed using combinations of gene and protein sequence, phylogenetic history, and functional interaction with progressively increasing accuracy. A relatively new class of orthology prediction strategies combines aspects of multiple methods into meta-tools, resulting in improved prediction performance. Here we present WORMHOLE, a novel ortholog prediction meta-tool that applies machine learning to integrate 17 distinct ortholog prediction algorithms to identify novel least diverged orthologs (LDOs between 6 eukaryotic species-humans, mice, zebrafish, fruit flies, nematodes, and budding yeast. Machine learning allows WORMHOLE to intelligently incorporate predictions from a wide-spectrum of strategies in order to form aggregate predictions of LDOs with high confidence. In this study we demonstrate the performance of WORMHOLE across each combination of query and target species. We show that WORMHOLE is particularly adept at improving LDO prediction performance between distantly related species, expanding the pool of LDOs while maintaining low evolutionary distance and a high level of functional relatedness between genes in LDO pairs. We present extensive validation, including cross-validated prediction of PANTHER LDOs and evaluation of evolutionary divergence and functional similarity, and discuss future applications of machine learning in ortholog prediction. A WORMHOLE web tool has been developed and is available at http://wormhole.jax.org/.

  8. Smarter Instruments, Smarter Archives: Machine Learning for Tactical Science

    Science.gov (United States)

    Thompson, D. R.; Kiran, R.; Allwood, A.; Altinok, A.; Estlin, T.; Flannery, D.

    2014-12-01

    There has been a growing interest by Earth and Planetary Sciences in machine learning, visualization and cyberinfrastructure to interpret ever-increasing volumes of instrument data. Such tools are commonly used to analyze archival datasets, but they can also play a valuable real-time role during missions. Here we discuss ways that machine learning can benefit tactical science decisions during Earth and Planetary Exploration. Machine learning's potential begins at the instrument itself. Smart instruments endowed with pattern recognition can immediately recognize science features of interest. This allows robotic explorers to optimize their limited communications bandwidth, triaging science products and prioritizing the most relevant data. Smart instruments can also target their data collection on the fly, using principles of experimental design to reduce redundancy and generally improve sampling efficiency for time-limited operations. Moreover, smart instruments can respond immediately to transient or unexpected phenomena. Examples include detections of cometary plumes, terrestrial floods, or volcanism. We show recent examples of smart instruments from 2014 tests including: aircraft and spacecraft remote sensing instruments that recognize cloud contamination, field tests of a "smart camera" for robotic surface geology, and adaptive data collection by X-Ray fluorescence spectrometers. Machine learning can also assist human operators when tactical decision making is required. Terrestrial scenarios include airborne remote sensing, where the decision to re-fly a transect must be made immediately. Planetary scenarios include deep space encounters or planetary surface exploration, where the number of command cycles is limited and operators make rapid daily decisions about where next to collect measurements. Visualization and modeling can reveal trends, clusters, and outliers in new data. This can help operators recognize instrument artifacts or spot anomalies in real time

  9. Combining Formal Logic and Machine Learning for Sentiment Analysis

    DEFF Research Database (Denmark)

    Petersen, Niklas Christoffer; Villadsen, Jørgen

    2014-01-01

    This paper presents a formal logical method for deep structural analysis of the syntactical properties of texts using machine learning techniques for efficient syntactical tagging. To evaluate the method it is used for entity level sentiment analysis as an alternative to pure machine learning...

  10. An active role for machine learning in drug development

    Science.gov (United States)

    Murphy, Robert F.

    2014-01-01

    Due to the complexity of biological systems, cutting-edge machine-learning methods will be critical for future drug development. In particular, machine-vision methods to extract detailed information from imaging assays and active-learning methods to guide experimentation will be required to overcome the dimensionality problem in drug development. PMID:21587249

  11. Newton Methods for Large Scale Problems in Machine Learning

    Science.gov (United States)

    Hansen, Samantha Leigh

    2014-01-01

    The focus of this thesis is on practical ways of designing optimization algorithms for minimizing large-scale nonlinear functions with applications in machine learning. Chapter 1 introduces the overarching ideas in the thesis. Chapters 2 and 3 are geared towards supervised machine learning applications that involve minimizing a sum of loss…

  12. Applying Machine Learning to Facilitate Autism Diagnostics: Pitfalls and Promises

    Science.gov (United States)

    Bone, Daniel; Goodwin, Matthew S.; Black, Matthew P.; Lee, Chi-Chun; Audhkhasi, Kartik; Narayanan, Shrikanth

    2015-01-01

    Machine learning has immense potential to enhance diagnostic and intervention research in the behavioral sciences, and may be especially useful in investigations involving the highly prevalent and heterogeneous syndrome of autism spectrum disorder. However, use of machine learning in the absence of clinical domain expertise can be tenuous and lead…

  13. Newton Methods for Large Scale Problems in Machine Learning

    Science.gov (United States)

    Hansen, Samantha Leigh

    2014-01-01

    The focus of this thesis is on practical ways of designing optimization algorithms for minimizing large-scale nonlinear functions with applications in machine learning. Chapter 1 introduces the overarching ideas in the thesis. Chapters 2 and 3 are geared towards supervised machine learning applications that involve minimizing a sum of loss…

  14. Applying Machine Learning to Facilitate Autism Diagnostics: Pitfalls and Promises

    Science.gov (United States)

    Bone, Daniel; Goodwin, Matthew S.; Black, Matthew P.; Lee, Chi-Chun; Audhkhasi, Kartik; Narayanan, Shrikanth

    2015-01-01

    Machine learning has immense potential to enhance diagnostic and intervention research in the behavioral sciences, and may be especially useful in investigations involving the highly prevalent and heterogeneous syndrome of autism spectrum disorder. However, use of machine learning in the absence of clinical domain expertise can be tenuous and lead…

  15. IEEE International Workshop on Machine Learning for Signal Processing: Preface

    DEFF Research Database (Denmark)

    Tao, Jianhua

    The 21st IEEE International Workshop on Machine Learning for Signal Processing will be held in Beijing, China, on September 18–21, 2011. The workshop series is the major annual technical event of the IEEE Signal Processing Society's Technical Committee on Machine Learning for Signal Processing...

  16. Proceedings of the IEEE Machine Learning for Signal Processing XVII

    DEFF Research Database (Denmark)

    The seventeenth of a series of workshops sponsored by the IEEE Signal Processing Society and organized by the Machine Learning for Signal Processing Technical Committee (MLSP-TC). The field of machine learning has matured considerably in both methodology and real-world application domains and has...

  17. IEEE International Workshop on Machine Learning for Signal Processing: Preface

    DEFF Research Database (Denmark)

    Tao, Jianhua

    The 21st IEEE International Workshop on Machine Learning for Signal Processing will be held in Beijing, China, on September 18–21, 2011. The workshop series is the major annual technical event of the IEEE Signal Processing Society's Technical Committee on Machine Learning for Signal Processing...

  18. Advanced Credit-Assignment CMAC Algorithm for Robust Self-Learning and Self-Maintenance Machine

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lei(张蕾); LEE Jay; CAO Qixin(曹其新); WANG Lei(王磊)

    2004-01-01

    Smart machine necessitates self-learning capabilities to assess its own performance and predict its behavior. To achieve self-maintenance intelligence, robust and fast learning algorithms need to be embedded in machine for real-time decision. This paper presents a credit-assignment cerebellar model articulation controller (CA-CMAC) algorithm to reduce learning interference in machine learning. The developed algorithms on credit matrix and the credit correlation matrix are presented. The error of the training sample distributed to the activated memory cell is proportional to the cell's credibility, which is determined by its activated times. The convergence processes of CA-CMAC in cyclic learning are further analyzed with two convergence theorems. In addition, simulation results on the inverse kinematics of 2-degree-of-freedom planar robot arm are used to prove the convergence theorems and show that CA-CMAC converges faster than conventional machine learning.

  19. Dropout Prediction in E-Learning Courses through the Combination of Machine Learning Techniques

    Science.gov (United States)

    Lykourentzou, Ioanna; Giannoukos, Ioannis; Nikolopoulos, Vassilis; Mpardis, George; Loumos, Vassili

    2009-01-01

    In this paper, a dropout prediction method for e-learning courses, based on three popular machine learning techniques and detailed student data, is proposed. The machine learning techniques used are feed-forward neural networks, support vector machines and probabilistic ensemble simplified fuzzy ARTMAP. Since a single technique may fail to…

  20. Dropout Prediction in E-Learning Courses through the Combination of Machine Learning Techniques

    Science.gov (United States)

    Lykourentzou, Ioanna; Giannoukos, Ioannis; Nikolopoulos, Vassilis; Mpardis, George; Loumos, Vassili

    2009-01-01

    In this paper, a dropout prediction method for e-learning courses, based on three popular machine learning techniques and detailed student data, is proposed. The machine learning techniques used are feed-forward neural networks, support vector machines and probabilistic ensemble simplified fuzzy ARTMAP. Since a single technique may fail to…

  1. Machine learning of Calabi-Yau volumes

    Science.gov (United States)

    Krefl, Daniel; Seong, Rak-Kyeong

    2017-09-01

    We employ machine learning techniques to investigate the volume minimum of Sasaki-Einstein base manifolds of noncompact toric Calabi-Yau three-folds. We find that the minimum volume can be approximated via a second-order multiple linear regression on standard topological quantities obtained from the corresponding toric diagram. The approximation improves further after invoking a convolutional neural network with the full toric diagram of the Calabi-Yau three-folds as the input. We are thereby able to circumvent any minimization procedure that was previously necessary and find an explicit mapping between the minimum volume and the topological quantities of the toric diagram. Under the AdS/CFT correspondence, the minimum volumes of Sasaki-Einstein manifolds correspond to central charges of a class of 4 d N =1 superconformal field theories. We therefore find empirical evidence for a function that gives values of central charges without the usual extremization procedure.

  2. Machine learning research 1989-90

    Science.gov (United States)

    Porter, Bruce W.; Souther, Arthur

    1990-01-01

    Multifunctional knowledge bases offer a significant advance in artificial intelligence because they can support numerous expert tasks within a domain. As a result they amortize the costs of building a knowledge base over multiple expert systems and they reduce the brittleness of each system. Due to the inevitable size and complexity of multifunctional knowledge bases, their construction and maintenance require knowledge engineering and acquisition tools that can automatically identify interactions between new and existing knowledge. Furthermore, their use requires software for accessing those portions of the knowledge base that coherently answer questions. Considerable progress was made in developing software for building and accessing multifunctional knowledge bases. A language was developed for representing knowledge, along with software tools for editing and displaying knowledge, a machine learning program for integrating new information into existing knowledge, and a question answering system for accessing the knowledge base.

  3. CD process control through machine learning

    Science.gov (United States)

    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.

  4. Lane Detection Based on Machine Learning Algorithm

    Directory of Open Access Journals (Sweden)

    Chao Fan

    2013-09-01

    Full Text Available In order to improve accuracy and robustness of the lane detection in complex conditions, such as the shadows and illumination changing, a novel detection algorithm was proposed based on machine learning. After pretreatment, a set of haar-like filters were used to calculate the eigenvalue in the gray image f(x,y and edge e(x,y. Then these features were trained by using improved boosting algorithm and the final class function g(x was obtained, which was used to judge whether the point x belonging to the lane or not. To avoid the over fitting in traditional boosting, Fisher discriminant analysis was used to initialize the weights of samples. After testing by many road in all conditions, it showed that this algorithm had good robustness and real-time to recognize the lane in all challenging conditions.

  5. Korarchaeota diversity, biogeography, and abundance in Yellowstone and Great Basin hot springs and ecological niche modeling based on machine learning.

    Science.gov (United States)

    Miller-Coleman, Robin L; Dodsworth, Jeremy A; Ross, Christian A; Shock, Everett L; Williams, Amanda J; Hartnett, Hilairy E; McDonald, Austin I; Havig, Jeff R; Hedlund, Brian P

    2012-01-01

    Over 100 hot spring sediment samples were collected from 28 sites in 12 areas/regions, while recording as many coincident geochemical properties as feasible (>60 analytes). PCR was used to screen samples for Korarchaeota 16S rRNA genes. Over 500 Korarchaeota 16S rRNA genes were screened by RFLP analysis and 90 were sequenced, resulting in identification of novel Korarchaeota phylotypes and exclusive geographical variants. Korarchaeota diversity was low, as in other terrestrial geothermal systems, suggesting a marine origin for Korarchaeota with subsequent niche-invasion into terrestrial systems. Korarchaeota endemism is consistent with endemism of other terrestrial thermophiles and supports the existence of dispersal barriers. Korarchaeota were found predominantly in >55°C springs at pH 4.7-8.5 at concentrations up to 6.6×10(6) 16S rRNA gene copies g(-1) wet sediment. In Yellowstone National Park (YNP), Korarchaeota were most abundant in springs with a pH range of 5.7 to 7.0. High sulfate concentrations suggest these fluids are influenced by contributions from hydrothermal vapors that may be neutralized to some extent by mixing with water from deep geothermal sources or meteoric water. In the Great Basin (GB), Korarchaeota were most abundant at spring sources of pH<7.2 with high particulate C content and high alkalinity, which are likely to be buffered by the carbonic acid system. It is therefore likely that at least two different geological mechanisms in YNP and GB springs create the neutral to mildly acidic pH that is optimal for Korarchaeota. A classification support vector machine (C-SVM) trained on single analytes, two analyte combinations, or vectors from non-metric multidimensional scaling models was able to predict springs as Korarchaeota-optimal or sub-optimal habitats with accuracies up to 95%. To our knowledge, this is the most extensive analysis of the geochemical habitat of any high-level microbial taxon and the first application of a C-SVM to

  6. Korarchaeota diversity, biogeography, and abundance in Yellowstone and Great Basin hot springs and ecological niche modeling based on machine learning.

    Directory of Open Access Journals (Sweden)

    Robin L Miller-Coleman

    Full Text Available Over 100 hot spring sediment samples were collected from 28 sites in 12 areas/regions, while recording as many coincident geochemical properties as feasible (>60 analytes. PCR was used to screen samples for Korarchaeota 16S rRNA genes. Over 500 Korarchaeota 16S rRNA genes were screened by RFLP analysis and 90 were sequenced, resulting in identification of novel Korarchaeota phylotypes and exclusive geographical variants. Korarchaeota diversity was low, as in other terrestrial geothermal systems, suggesting a marine origin for Korarchaeota with subsequent niche-invasion into terrestrial systems. Korarchaeota endemism is consistent with endemism of other terrestrial thermophiles and supports the existence of dispersal barriers. Korarchaeota were found predominantly in >55°C springs at pH 4.7-8.5 at concentrations up to 6.6×10(6 16S rRNA gene copies g(-1 wet sediment. In Yellowstone National Park (YNP, Korarchaeota were most abundant in springs with a pH range of 5.7 to 7.0. High sulfate concentrations suggest these fluids are influenced by contributions from hydrothermal vapors that may be neutralized to some extent by mixing with water from deep geothermal sources or meteoric water. In the Great Basin (GB, Korarchaeota were most abundant at spring sources of pH<7.2 with high particulate C content and high alkalinity, which are likely to be buffered by the carbonic acid system. It is therefore likely that at least two different geological mechanisms in YNP and GB springs create the neutral to mildly acidic pH that is optimal for Korarchaeota. A classification support vector machine (C-SVM trained on single analytes, two analyte combinations, or vectors from non-metric multidimensional scaling models was able to predict springs as Korarchaeota-optimal or sub-optimal habitats with accuracies up to 95%. To our knowledge, this is the most extensive analysis of the geochemical habitat of any high-level microbial taxon and the first application of a C

  7. Performance Analysis of Machine-Learning Approaches for Modeling the Charging/Discharging Profiles of Stationary Battery Systems with Non-Uniform Cell Aging

    Directory of Open Access Journals (Sweden)

    Nandha Kumar Kandasamy

    2017-06-01

    Full Text Available The number of Stationary Battery Systems (SBS connected to various power distribution networks across the world has increased drastically. The increase in the integration of renewable energy sources is one of the major contributors to the increase in the number of SBS. SBS are also used in other applications such as peak load management, load-shifting, voltage regulation and power quality improvement. Accurately modeling the charging/discharging characteristics of such SBS at various instances (charging/discharging profile is vital for many applications. Capacity loss due to the aging of the batteries is an important factor to be considered for estimating the charging/discharging profile of SBS more accurately. Empirical modeling is a common approach used in the literature for estimating capacity loss, which is further used for estimating the charging/discharging profiles of SBS. However, in the case of SBS used for renewable integration and other grid related applications, machine-learning (ML based models provide extreme flexibility and require minimal resources for implementation. The models can even leverage existing smart meter data to estimate the charging/discharging profile of SBS. In this paper, an analysis on the performance of different ML approaches that can be applied for lithium iron phosphate battery systems and vanadium redox flow battery systems used as SBS is presented for the scenarios where the aging of individual cells is non-uniform.

  8. Inner and outer coronary vessel wall segmentation from CCTA using an active contour model with machine learning-based 3D voxel context-aware image force

    Science.gov (United States)

    Sivalingam, Udhayaraj; Wels, Michael; Rempfler, Markus; Grosskopf, Stefan; Suehling, Michael; Menze, Bjoern H.

    2016-03-01

    In this paper, we present a fully automated approach to coronary vessel segmentation, which involves calcification or soft plaque delineation in addition to accurate lumen delineation, from 3D Cardiac Computed Tomography Angiography data. Adequately virtualizing the coronary lumen plays a crucial role for simulating blood ow by means of fluid dynamics while additionally identifying the outer vessel wall in the case of arteriosclerosis is a prerequisite for further plaque compartment analysis. Our method is a hybrid approach complementing Active Contour Model-based segmentation with an external image force that relies on a Random Forest Regression model generated off-line. The regression model provides a strong estimate of the distance to the true vessel surface for every surface candidate point taking into account 3D wavelet-encoded contextual image features, which are aligned with the current surface hypothesis. The associated external image force is integrated in the objective function of the active contour model, such that the overall segmentation approach benefits from the advantages associated with snakes and from the ones associated with machine learning-based regression alike. This yields an integrated approach achieving competitive results on a publicly available benchmark data collection (Rotterdam segmentation challenge).

  9. Machine learning in radiation oncology theory and applications

    CERN Document Server

    El Naqa, Issam; Murphy, Martin J

    2015-01-01

    ​This book provides a complete overview of the role of machine learning in radiation oncology and medical physics, covering basic theory, methods, and a variety of applications in medical physics and radiotherapy. An introductory section explains machine learning, reviews supervised and unsupervised learning methods, discusses performance evaluation, and summarizes potential applications in radiation oncology. Detailed individual sections are then devoted to the use of machine learning in quality assurance; computer-aided detection, including treatment planning and contouring; image-guided rad

  10. Reinforcement and Systemic Machine Learning for Decision Making

    CERN Document Server

    Kulkarni, Parag

    2012-01-01

    Reinforcement and Systemic Machine Learning for Decision Making There are always difficulties in making machines that learn from experience. Complete information is not always available-or it becomes available in bits and pieces over a period of time. With respect to systemic learning, there is a need to understand the impact of decisions and actions on a system over that period of time. This book takes a holistic approach to addressing that need and presents a new paradigm-creating new learning applications and, ultimately, more intelligent machines. The first book of its kind in this new an

  11. Knowledge discovery via machine learning for neurodegenerative disease researchers.

    Science.gov (United States)

    Ozyurt, I Burak; Brown, Gregory G

    2009-01-01

    Ever-increasing size of the biomedical literature makes more precise information retrieval and tapping into implicit knowledge in scientific literature a necessity. In this chapter, first, three new variants of the expectation-maximization (EM) method for semisupervised document classification (Machine Learning 39:103-134, 2000) are introduced to refine biomedical literature meta-searches. The retrieval performance of a multi-mixture per class EM variant with Agglomerative Information Bottleneck clustering (Slonim and Tishby (1999) Agglomerative information bottleneck. In Proceedings of NIPS-12) using Davies-Bouldin cluster validity index (IEEE Transactions on Pattern Analysis and Machine Intelligence 1:224-227, 1979), rivaled the state-of-the-art transductive support vector machines (TSVM) (Joachims (1999) Transductive inference for text classification using support vector machines. In Proceedings of the International Conference on Machine Learning (ICML)). Moreover, the multi-mixture per class EM variant refined search results more quickly with more than one order of magnitude improvement in execution time compared with TSVM. A second tool, CRFNER, uses conditional random fields (Lafferty et al. (2001) Conditional random fields: Probabilistic models for segmenting and labeling sequence data. In Proceedings of ICML-2001) to recognize 15 types of named entities from schizophrenia abstracts outperforming ABNER (Settles (2004) Biomedical named entity recognition using conditional random fields and rich feature sets. In Proceedings of COLING 2004 International Joint Workshop on Natural Language Processing in Biomedicine and its Applications (NLPBA)) in biological named entity recognition and reaching F(1) performance of 82.5% on the second set of named entities.

  12. Machine Learning Principles Can Improve Hip Fracture Prediction.

    Science.gov (United States)

    Kruse, Christian; Eiken, Pia; Vestergaard, Peter

    2017-04-01

    Apply machine learning principles to predict hip fractures and estimate predictor importance in Dual-energy X-ray absorptiometry (DXA)-scanned men and women. Dual-energy X-ray absorptiometry data from two Danish regions between 1996 and 2006 were combined with national Danish patient data to comprise 4722 women and 717 men with 5 years of follow-up time (original cohort n = 6606 men and women). Twenty-four statistical models were built on 75% of data points through k-5, 5-repeat cross-validation, and then validated on the remaining 25% of data points to calculate area under the curve (AUC) and calibrate probability estimates. The best models were retrained with restricted predictor subsets to estimate the best subsets. For women, bootstrap aggregated flexible discriminant analysis ("bagFDA") performed best with a test AUC of 0.92 [0.89; 0.94] and well-calibrated probabilities following Naïve Bayes adjustments. A "bagFDA" model limited to 11 predictors (among them bone mineral densities (BMD), biochemical glucose measurements, general practitioner and dentist use) achieved a test AUC of 0.91 [0.88; 0.93]. For men, eXtreme Gradient Boosting ("xgbTree") performed best with a test AUC of 0.89 [0.82; 0.95], but with poor calibration in higher probabilities. A ten predictor subset (BMD, biochemical cholesterol and liver function tests, penicillin use and osteoarthritis diagnoses) achieved a test AUC of 0.86 [0.78; 0.94] using an "xgbTree" model. Machine learning can improve hip fracture prediction beyond logistic regression using ensemble models. Compiling data from international cohorts of longer follow-up and performing similar machine learning procedures has the potential to further improve discrimination and calibration.

  13. Predictive modelling of savannah woody cover: A multi-temporal and multi-sensor machine learning investigation

    Science.gov (United States)

    Higginbottom, Thomas; Symeonakis, Elias

    2016-04-01

    Effective monitoring of the Earth's ecosystems requires the availability of methods for quantifying the structural composition and cover of vegetation. This is especially important in heterogeneous environments, such as semi-arid savannahs which are naturally comprised of a dynamic mix of tree, shrub, and grass components. The fractional coverage of woody vegetation is a key ecosystem attribute in savannahs, particularly given current concerns over the invasion of grasslands by shrub species (shrub encroachment), or the over-exploitation of woody biomass for fuelwood. Remote sensing has a clear role to play in monitoring semi-arid environments, and in recent years the number of both spacebourne sensors and collected scenes has increased dramatically allowing for multi-temporal and multi-sensor investigations. Here we employ a statistical learning framework to assess the potential of optical and radar imagery for predicting fractional woody cover. We test a number of different model combinations in the Kruger National Park, South Africa. Our results show that combining Landsat and PALSAR data produces the most accurate predictions (R2 =0.65, P fractional cover prediction.

  14. A Comparison of Different Machine Transliteration Models

    CERN Document Server

    Choi, K; Oh, J; 10.1613/jair.1999

    2011-01-01

    Machine transliteration is a method for automatically converting words in one language into phonetically equivalent ones in another language. Machine transliteration plays an important role in natural language applications such as information retrieval and machine translation, especially for handling proper nouns and technical terms. Four machine transliteration models -- grapheme-based transliteration model, phoneme-based transliteration model, hybrid transliteration model, and correspondence-based transliteration model -- have been proposed by several researchers. To date, however, there has been little research on a framework in which multiple transliteration models can operate simultaneously. Furthermore, there has been no comparison of the four models within the same framework and using the same data. We addressed these problems by 1) modeling the four models within the same framework, 2) comparing them under the same conditions, and 3) developing a way to improve machine transliteration through this com...

  15. Machine-Learning Approach for Design of Nanomagnetic-Based Antennas

    Science.gov (United States)

    Gianfagna, Carmine; Yu, Huan; Swaminathan, Madhavan; Pulugurtha, Raj; Tummala, Rao; Antonini, Giulio

    2017-08-01

    We propose a machine-learning approach for design of planar inverted-F antennas with a magneto-dielectric nanocomposite substrate. It is shown that machine-learning techniques can be efficiently used to characterize nanomagnetic-based antennas by accurately mapping the particle radius and volume fraction of the nanomagnetic material to antenna parameters such as gain, bandwidth, radiation efficiency, and resonant frequency. A modified mixing rule model is also presented. In addition, the inverse problem is addressed through machine learning as well, where given the antenna parameters, the corresponding design space of possible material parameters is identified.

  16. MEDLINE MeSH Indexing: Lessons Learned from Machine Learning and Future Directions

    DEFF Research Database (Denmark)

    Jimeno-Yepes, Antonio; Mork, James G.; Wilkowski, Bartlomiej

    2012-01-01

    Map and a k-NN approach called PubMed Related Citations (PRC). Our motivation is to improve the quality of MTI based on machine learning. Typical machine learning approaches fit this indexing task into text categorization. In this work, we have studied some Medical Subject Headings (MeSH) recommended by MTI...... and analyzed the issues when using standard machine learning algorithms. We show that in some cases machine learning can improve the annotations already recommended by MTI, that machine learning based on low variance methods achieves better performance and that each MeSH heading presents a different behavior...

  17. Predicting DPP-IV inhibitors with machine learning approaches

    Science.gov (United States)

    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.

  18. Predicting DPP-IV inhibitors with machine learning approaches

    Science.gov (United States)

    Cai, Jie; Li, Chanjuan; Liu, Zhihong; Du, Jiewen; Ye, Jiming; Gu, Qiong; Xu, Jun

    2017-02-01

    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.

  19. Machine Learning Techniques for Prediction of Early Childhood Obesity.

    Science.gov (United States)

    Dugan, T M; Mukhopadhyay, S; Carroll, A; Downs, S

    2015-01-01

    This paper aims to predict childhood obesity after age two, using only data collected prior to the second birthday by a clinical decision support system called CHICA. Analyses of six different machine learning methods: RandomTree, RandomForest, J48, ID3, Naïve Bayes, and Bayes trained on CHICA data show that an accurate, sensitive model can be created. Of the methods analyzed, the ID3 model trained on the CHICA dataset proved the best overall performance with accuracy of 85% and sensitivity of 89%. Additionally, the ID3 model had a positive predictive value of 84% and a negative predictive value of 88%. The structure of the tree also gives insight into the strongest predictors of future obesity in children. Many of the strongest predictors seen in the ID3 modeling of the CHICA dataset have been independently validated in the literature as correlated with obesity, thereby supporting the validity of the model. This study demonstrated that data from a production clinical decision support system can be used to build an accurate machine learning model to predict obesity in children after age two.

  20. Active Learning of Nondeterministic Finite State Machines

    Directory of Open Access Journals (Sweden)

    Warawoot Pacharoen

    2013-01-01

    Full Text Available We consider the problem of learning nondeterministic finite state machines (NFSMs from systems where their internal structures are implicit and nondeterministic. Recently, an algorithm for inferring observable NFSMs (ONFSMs, which are the potentially learnable subclass of NFSMs, has been proposed based on the hypothesis that the complete testing assumption is satisfied. According to this assumption, with an input sequence (query, the complete set of all possible output sequences is given by the so-called Teacher, so the number of times for asking the same query is not taken into account in the algorithm. In this paper, we propose LNM*, a refined ONFSM learning algorithm that considers the amount for repeating the same query as one parameter. Unlike the previous work, our approach does not require all possible output sequences in one answer. Instead, it tries to observe the possible output sequences by asking the same query many times to the Teacher. We have proved that LNM* can infer the corresponding ONFSMs of the unknown systems when the number of tries for the same query is adequate to guarantee the complete testing assumption. Moreover, the proof shows that our algorithm will eventually terminate no matter whether the assumption is fulfilled or not. We also present the theoretical time complexity analysis of LNM*. In addition, experimental results demonstrate the practical efficiency of our approach.

  1. Amp: A modular approach to machine learning in atomistic simulations

    Science.gov (United States)

    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

  2. Discerning apical and basolateral properties of HT-29/B6 and IPEC-J2 cell layers by impedance spectroscopy, mathematical modeling and machine learning.

    Directory of Open Access Journals (Sweden)

    Thomas Schmid

    Full Text Available Quantifying changes in partial resistances of epithelial barriers in vitro is a challenging and time-consuming task in physiology and pathophysiology. Here, we demonstrate that electrical properties of epithelial barriers can be estimated reliably by combining impedance spectroscopy measurements, mathematical modeling and machine learning algorithms. Conventional impedance spectroscopy is often used to estimate epithelial capacitance as well as epithelial and subepithelial resistance. Based on this, the more refined two-path impedance spectroscopy makes it possible to further distinguish transcellular and paracellular resistances. In a next step, transcellular properties may be further divided into their apical and basolateral components. The accuracy of these derived values, however, strongly depends on the accuracy of the initial estimates. To obtain adequate accuracy in estimating subepithelial and epithelial resistance, artificial neural networks were trained to estimate these parameters from model impedance spectra. Spectra that reflect behavior of either HT-29/B6 or IPEC-J2 cells as well as the data scatter intrinsic to the used experimental setup were created computationally. To prove the proposed approach, reliability of the estimations was assessed with both modeled and measured impedance spectra. Transcellular and paracellular resistances obtained by such neural network-enhanced two-path impedance spectroscopy are shown to be sufficiently reliable to derive the underlying apical and basolateral resistances and capacitances. As an exemplary perturbation of pathophysiological importance, the effect of forskolin on the apical resistance of HT-29/B6 cells was quantified.

  3. Research into Financial Position of Listed Companies following Classification via Extreme Learning Machine Based upon DE Optimization

    Directory of Open Access Journals (Sweden)

    Fu Yu

    2016-01-01

    Full Text Available By means of the model of extreme learning machine based upon DE optimization, this article particularly centers on the optimization thinking of such a model as well as its application effect in the field of listed company’s financial position classification. It proves that the improved extreme learning machine algorithm based upon DE optimization eclipses the traditional extreme learning machine algorithm following comparison. Meanwhile, this article also intends to introduce certain research thinking concerning extreme learning machine into the economics classification area so as to fulfill the purpose of computerizing the speedy but effective evaluation of massive financial statements of listed companies pertain to different classes

  4. Parameterized Machine Learning for High-Energy Physics

    CERN Document Server

    Baldi, Pierre; Faucett, Taylor; Sadowski, Peter; Whiteson, Daniel

    2016-01-01

    We investigate a new structure for machine learning classifiers applied to problems in high-energy physics by expanding the inputs to include not only measured features but also physics parameters. The physics parameters represent a smoothly varying learning task, and the resulting parameterized classifier can smoothly interpolate between them and replace sets of classifiers trained at individual values. This simplifies the training process and gives improved performance at intermediate values, even for complex problems requiring deep learning. Applications include tools parameterized in terms of theoretical model parameters, such as the mass of a particle, which allow for a single network to provide improved discrimination across a range of masses. This concept is simple to implement and allows for optimized interpolatable results.

  5. Twin support vector machines models, extensions and applications

    CERN Document Server

    Jayadeva; Chandra, Suresh

    2017-01-01

    This book provides a systematic and focused study of the various aspects of twin support vector machines (TWSVM) and related developments for classification and regression. In addition to presenting most of the basic models of TWSVM and twin support vector regression (TWSVR) available in the literature, it also discusses the important and challenging applications of this new machine learning methodology. A chapter on “Additional Topics” has been included to discuss kernel optimization and support tensor machine topics, which are comparatively new but have great potential in applications. It is primarily written for graduate students and researchers in the area of machine learning and related topics in computer science, mathematics, electrical engineering, management science and finance.

  6. Rough set models of Physarum machines

    Science.gov (United States)

    Pancerz, Krzysztof; Schumann, Andrew

    2015-04-01

    In this paper, we consider transition system models of behaviour of Physarum machines in terms of rough set theory. A Physarum machine, a biological computing device implemented in the plasmodium of Physarum polycephalum (true slime mould), is a natural transition system. In the behaviour of Physarum machines, one can notice some ambiguity in Physarum motions that influences exact anticipation of states of machines in time. To model this ambiguity, we propose to use rough set models created over transition systems. Rough sets are an appropriate tool to deal with rough (ambiguous, imprecise) concepts in the universe of discourse.

  7. An Android malware detection system based on machine learning

    Science.gov (United States)

    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.

  8. GEOLOGICAL MAPPING USING MACHINE LEARNING ALGORITHMS

    Directory of Open Access Journals (Sweden)

    A. S. Harvey

    2016-06-01

    Full Text Available Remotely sensed spectral imagery, geophysical (magnetic and gravity, and geodetic (elevation data are useful in a variety of Earth science applications such as environmental monitoring and mineral exploration. Using these data with Machine Learning Algorithms (MLA, which are widely used in image analysis and statistical pattern recognition applications, may enhance preliminary geological mapping and interpretation. This approach contributes towards a rapid and objective means of geological mapping in contrast to conventional field expedition techniques. In this study, four supervised MLAs (naïve Bayes, k-nearest neighbour, random forest, and support vector machines are compared in order to assess their performance for correctly identifying geological rocktypes in an area with complete ground validation information. Geological maps of the Sudbury region are used for calibration and validation. Percent of correct classifications was used as indicators of performance. Results show that random forest is the best approach. As expected, MLA performance improves with more calibration clusters, i.e. a more uniform distribution of calibration data over the study region. Performance is generally low, though geological trends that correspond to a ground validation map are visualized. Low performance may be the result of poor spectral images of bare rock which can be covered by vegetation or water. The distribution of calibration clusters and MLA input parameters affect the performance of the MLAs. Generally, performance improves with more uniform sampling, though this increases required computational effort and time. With the achievable performance levels in this study, the technique is useful in identifying regions of interest and identifying general rocktype trends. In particular, phase I geological site investigations will benefit from this approach and lead to the selection of sites for advanced surveys.

  9. Geological Mapping Using Machine Learning Algorithms

    Science.gov (United States)

    Harvey, A. S.; Fotopoulos, G.

    2016-06-01

    Remotely sensed spectral imagery, geophysical (magnetic and gravity), and geodetic (elevation) data are useful in a variety of Earth science applications such as environmental monitoring and mineral exploration. Using these data with Machine Learning Algorithms (MLA), which are widely used in image analysis and statistical pattern recognition applications, may enhance preliminary geological mapping and interpretation. This approach contributes towards a rapid and objective means of geological mapping in contrast to conventional field expedition techniques. In this study, four supervised MLAs (naïve Bayes, k-nearest neighbour, random forest, and support vector machines) are compared in order to assess their performance for correctly identifying geological rocktypes in an area with complete ground validation information. Geological maps of the Sudbury region are used for calibration and validation. Percent of correct classifications was used as indicators of performance. Results show that random forest is the best approach. As expected, MLA performance improves with more calibration clusters, i.e. a more uniform distribution of calibration data over the study region. Performance is generally low, though geological trends that correspond to a ground validation map are visualized. Low performance may be the result of poor spectral images of bare rock which can be covered by vegetation or water. The distribution of calibration clusters and MLA input parameters affect the performance of the MLAs. Generally, performance improves with more uniform sampling, though this increases required computational effort and time. With the achievable performance levels in this study, the technique is useful in identifying regions of interest and identifying general rocktype trends. In particular, phase I geological site investigations will benefit from this approach and lead to the selection of sites for advanced surveys.

  10. The immune system, adaptation, and machine learning

    Science.gov (United States)

    Farmer, J. Doyne; Packard, Norman H.; Perelson, Alan S.

    1986-10-01

    The immune system is capable of learning, memory, and pattern recognition. By employing genetic operators on a time scale fast enough to observe experimentally, the immune system is able to recognize novel shapes without preprogramming. Here we describe a dynamical model for the immune system that is based on the network hypothesis of Jerne, and is simple enough to simulate on a computer. This model has a strong similarity to an approach to learning and artificial intelligence introduced by Holland, called the classifier system. We demonstrate that simple versions of the classifier system can be cast as a nonlinear dynamical system, and explore the analogy between the immune and classifier systems in detail. Through this comparison we hope to gain insight into the way they perform specific tasks, and to suggest new approaches that might be of value in learning systems.

  11. Intelligent Machine Learning Approaches for Aerospace Applications

    Science.gov (United States)

    Sathyan, Anoop

    Machine Learning is a type of artificial intelligence that provides machines or networks the ability to learn from data without the need to explicitly program them. There are different kinds of machine learning techniques. This thesis discusses the applications of two of these approaches: Genetic Fuzzy Logic and Convolutional Neural Networks (CNN). Fuzzy Logic System (FLS) is a powerful tool that can be used for a wide variety of applications. FLS is a universal approximator that reduces the need for complex mathematics and replaces it with expert knowledge of the system to produce an input-output mapping using If-Then rules. The expert knowledge of a system can help in obtaining the parameters for small-scale FLSs, but for larger networks we will need to use sophisticated approaches that can automatically train the network to meet the design requirements. This is where Genetic Algorithms (GA) and EVE come into the picture. Both GA and EVE can tune the FLS parameters to minimize a cost function that is designed to meet the requirements of the specific problem. EVE is an artificial intelligence developed by Psibernetix that is trained to tune large scale FLSs. The parameters of an FLS can include the membership functions and rulebase of the inherent Fuzzy Inference Systems (FISs). The main issue with using the GFS is that the number of parameters in a FIS increase exponentially with the number of inputs thus making it increasingly harder to tune them. To reduce this issue, the FLSs discussed in this thesis consist of 2-input-1-output FISs in cascade (Chapter 4) or as a layer of parallel FISs (Chapter 7). We have obtained extremely good results using GFS for different applications at a reduced computational cost compared to other algorithms that are commonly used to solve the corresponding problems. In this thesis, GFSs have been designed for controlling an inverted double pendulum, a task allocation problem of clustering targets amongst a set of UAVs, a fire

  12. Cross-person activity recognition using reduced kernel extreme learning machine.

    Science.gov (United States)

    Deng, Wan-Yu; Zheng, Qing-Hua; Wang, Zhong-Min

    2014-05-01

    Activity recognition based on mobile embedded accelerometer is very important for developing human-centric pervasive applications such as healthcare, personalized recommendation and so on. However, the distribution of accelerometer data is heavily affected by varying users. The performance will degrade when the model trained on one person is used to others. To solve this problem, we propose a fast and accurate cross-person activity recognition model, known as TransRKELM (Transfer learning Reduced Kernel Extreme Learning Machine) which uses RKELM (Reduced Kernel Extreme Learning Machine) to realize initial activity recognition model. In the online phase OS-RKELM (Online Sequential Reduced Kernel Extreme Learning Machine) is applied to update the initial model and adapt the recognition model to new device users based on recognition results with high confidence level efficiently. Experimental results show that, the proposed model can adapt the classifier to new device users quickly and obtain good recognition performance.

  13. Machine Learning for Quantum Mechanical Properties of Atoms in Molecules

    CERN Document Server

    Rupp, Matthias; von Lilienfeld, O Anatole

    2015-01-01

    We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach accuracies on par with density functional theory reference. Locality is exploited within non-linear regression via local atom-centered coordinate systems. The approach is validated on a diverse set of 9k small organic molecules. Linear scaling is demonstrated for saturated polymers with up to sub-mesoscale lengths.

  14. Application of machine learning in SNP discovery

    Directory of Open Access Journals (Sweden)

    Cregan Perry B

    2006-01-01

    Full Text Available Abstract Background Single nucleotide polymorphisms (SNP constitute more than 90% of the genetic variation, and hence can account for most trait differences among individuals in a given species. Polymorphism detection software PolyBayes and PolyPhred give high false positive SNP predictions even with stringent parameter values. We developed a machine learning (ML method to augment PolyBayes to improve its prediction accuracy. ML methods have also been successfully applied to other bioinformatics problems in predicting genes, promoters, transcription factor binding sites and protein structures. Results The ML program C4.5 was applied to a set of features in order to build a SNP classifier from training data based on human expert decisions (True/False. The training data were 27,275 candidate SNP generated by sequencing 1973 STS (sequence tag sites (12 Mb in both directions from 6 diverse homozygous soybean cultivars and PolyBayes analysis. Test data of 18,390 candidate SNP were generated similarly from 1359 additional STS (8 Mb. SNP from both sets were classified by experts. After training the ML classifier, it agreed with the experts on 97.3% of test data compared with 7.8% agreement between PolyBayes and experts. The PolyBayes positive predictive values (PPV (i.e., fraction of candidate SNP being real were 7.8% for all predictions and 16.7% for those with 100% posterior probability of being real. Using ML improved the PPV to 84.8%, a 5- to 10-fold increase. While both ML and PolyBayes produced a similar number of true positives, the ML program generated only 249 false positives as compared to 16,955 for PolyBayes. The complexity of the soybean genome may have contributed to high false SNP predictions by PolyBayes and hence results may differ for other genomes. Conclusion A machine learning (ML method was developed as a supplementary feature to the polymorphism detection software for improving prediction accuracies. The results from this study

  15. Machine learning on geospatial big data

    CSIR Research Space (South Africa)

    Van Zyl, T

    2014-02-01

    Full Text Available learning, a model may be trained so as to do automated classification of new unlabelled observations, to forecast future observations of some system or automatically spot anomalous events (Vatsavai et al. 2012). Geospatial big data present two opportunities...

  16. Implementing Machine Learning in Radiology Practice and Research.

    Science.gov (United States)

    Kohli, Marc; Prevedello, Luciano M; Filice, Ross W; Geis, J Raymond

    2017-04-01

    The purposes of this article are to describe concepts that radiologists should understand to evaluate machine learning projects, including common algorithms, supervised as opposed to unsupervised techniques, statistical pitfalls, and data considerations for training and evaluation, and to briefly describe ethical dilemmas and legal risk. Machine learning includes a broad class of computer programs that improve with experience. The complexity of creating, training, and monitoring machine learning indicates that the success of the algorithms will require radiologist involvement for years to come, leading to engagement rather than replacement.

  17. Learning with Uncertainty - Gaussian Processes and Relevance Vector Machines

    DEFF Research Database (Denmark)

    Candela, Joaquin Quinonero

    2004-01-01

    This thesis is concerned with Gaussian Processes (GPs) and Relevance Vector Machines (RVMs), both of which are particular instances of probabilistic linear models. We look at both models from a Bayesian perspective, and are forced to adopt an approximate Bayesian treatment to learning for two....... Computational efficiency is obtained through sparseness: sparse linear models have a significant number of their weights set to zero. For the RVM, which we treat in Chap. 2, we show that it is precisely the particular choice of Bayesian approximation that enforces sparseness. Probabilistic models have...... the important property of producing predictive distributions instead of point predictions. We also show that the resulting sparse probabilistic model implies counterintuitive priors over functions, and ultimately inappropriate predictive variances; the model is more certain about its predictions, the further...

  18. Experimental analysis of the performance of machine learning algorithms in the classification of navigation accident records

    Directory of Open Access Journals (Sweden)

    REIS, M V. S. de A.

    2017-06-01

    Full Text Available This paper aims to evaluate the use of machine learning techniques in a database of marine accidents. We analyzed and evaluated the main causes and types of marine accidents in the Northern Fluminense region. For this, machine learning techniques were used. The study showed that the modeling can be done in a satisfactory manner using different configurations of classification algorithms, varying the activation functions and training parameters. The SMO (Sequential Minimal Optimization algorithm showed the best performance result.

  19. Initial experimental results of a machine learning-based temperature control system for an RF gun

    CERN Document Server

    Edelen, A L; Milton, S V; Chase, B E; Crawford, D J; Eddy, N; Edstrom, D; Harms, E R; Ruan, J; Santucci, J K; Stabile, P

    2015-01-01

    Colorado State University (CSU) and Fermi National Accelerator Laboratory (Fermilab) have been developing a control system to regulate the resonant frequency of an RF electron gun. As part of this effort, we present initial test results for a benchmark temperature controller that combines a machine learning-based model and a predictive control algorithm. This is part of an on-going effort to develop adaptive, machine learning-based tools specifically to address control challenges found in particle accelerator systems.

  20. Indicators of ADHD symptoms in virtual learning context using machine learning technics

    Directory of Open Access Journals (Sweden)

    Laura Patricia Mancera Valetts

    2015-12-01

    Full Text Available Rev.esc.adm.neg This paper presents a user model for students performing virtual learning processes. This model is used to infer the presence of Attention Deficit Hyperactivity Disorder (ADHD indicators in a student. The user model is built considering three user characteristics, which can be also used as variables in different contexts. These variables are: behavioral conduct (BC, executive functions performance (EFP, and emotional state (ES. For inferring the ADHD symptomatic profile of a student and his/her emotional alterations, these features are used as input in a set of classification rules. Based on the testing of the proposed model, training examples are obtained. These examples are used to prepare a classification machine learning algorithm for performing, and improving, the task of profiling a student. The proposed user model can provide the first step to adapt learning resources in e-learning platforms to people with attention problems, specifically, young-adult students with ADHD.