Infrastructure and distributed learning methodology for privacy-preserving multi-centric rapid learning health care: euroCAT.

PubMed

Deist, Timo M; Jochems, A; van Soest, Johan; Nalbantov, Georgi; Oberije, Cary; Walsh, Seán; Eble, Michael; Bulens, Paul; Coucke, Philippe; Dries, Wim; Dekker, Andre; Lambin, Philippe

2017-06-01

Machine learning applications for personalized medicine are highly dependent on access to sufficient data. For personalized radiation oncology, datasets representing the variation in the entire cancer patient population need to be acquired and used to learn prediction models. Ethical and legal boundaries to ensure data privacy hamper collaboration between research institutes. We hypothesize that data sharing is possible without identifiable patient data leaving the radiation clinics and that building machine learning applications on distributed datasets is feasible. We developed and implemented an IT infrastructure in five radiation clinics across three countries (Belgium, Germany, and The Netherlands). We present here a proof-of-principle for future 'big data' infrastructures and distributed learning studies. Lung cancer patient data was collected in all five locations and stored in local databases. Exemplary support vector machine (SVM) models were learned using the Alternating Direction Method of Multipliers (ADMM) from the distributed databases to predict post-radiotherapy dyspnea grade [Formula: see text]. The discriminative performance was assessed by the area under the curve (AUC) in a five-fold cross-validation (learning on four sites and validating on the fifth). The performance of the distributed learning algorithm was compared to centralized learning where datasets of all institutes are jointly analyzed. The euroCAT infrastructure has been successfully implemented in five radiation clinics across three countries. SVM models can be learned on data distributed over all five clinics. Furthermore, the infrastructure provides a general framework to execute learning algorithms on distributed data. The ongoing expansion of the euroCAT network will facilitate machine learning in radiation oncology. The resulting access to larger datasets with sufficient variation will pave the way for generalizable prediction models and personalized medicine.

Case-Based Reasoning in Mixed Paradigm Settings and with Learning

DTIC Science & Technology

1994-04-30

Learning Prototypical Cases OFF-BROADWAY, MCI and RMHC -* are three CBR-ML systems that learn case prototypes. We feel that methods that enable the...at Irvine Machine Learning Repository, including heart disease and breast cancer databases. OFF-BROADWAY, MCI and RMHC -* made the following notable

Modeling Geomagnetic Variations using a Machine Learning Framework

NASA Astrophysics Data System (ADS)

Cheung, C. M. M.; Handmer, C.; Kosar, B.; Gerules, G.; Poduval, B.; Mackintosh, G.; Munoz-Jaramillo, A.; Bobra, M.; Hernandez, T.; McGranaghan, R. M.

2017-12-01

We present a framework for data-driven modeling of Heliophysics time series data. The Solar Terrestrial Interaction Neural net Generator (STING) is an open source python module built on top of state-of-the-art statistical learning frameworks (traditional machine learning methods as well as deep learning). To showcase the capability of STING, we deploy it for the problem of predicting the temporal variation of geomagnetic fields. The data used includes solar wind measurements from the OMNI database and geomagnetic field data taken by magnetometers at US Geological Survey observatories. We examine the predictive capability of different machine learning techniques (recurrent neural networks, support vector machines) for a range of forecasting times (minutes to 12 hours). STING is designed to be extensible to other types of data. We show how STING can be used on large sets of data from different sensors/observatories and adapted to tackle other problems in Heliophysics.

Developing a Global Database of Historic Flood Events to Support Machine Learning Flood Prediction in Google Earth Engine

NASA Astrophysics Data System (ADS)

Tellman, B.; Sullivan, J.; Kettner, A.; Brakenridge, G. R.; Slayback, D. A.; Kuhn, C.; Doyle, C.

2016-12-01

There is an increasing need to understand flood vulnerability as the societal and economic effects of flooding increases. Risk models from insurance companies and flood models from hydrologists must be calibrated based on flood observations in order to make future predictions that can improve planning and help societies reduce future disasters. Specifically, to improve these models both traditional methods of flood prediction from physically based models as well as data-driven techniques, such as machine learning, require spatial flood observation to validate model outputs and quantify uncertainty. A key dataset that is missing for flood model validation is a global historical geo-database of flood event extents. Currently, the most advanced database of historical flood extent is hosted and maintained at the Dartmouth Flood Observatory (DFO) that has catalogued 4320 floods (1985-2015) but has only mapped 5% of these floods. We are addressing this data gap by mapping the inventory of floods in the DFO database to create a first-of- its-kind, comprehensive, global and historical geospatial database of flood events. To do so, we combine water detection algorithms on MODIS and Landsat 5,7 and 8 imagery in Google Earth Engine to map discrete flood events. The created database will be available in the Earth Engine Catalogue for download by country, region, or time period. This dataset can be leveraged for new data-driven hydrologic modeling using machine learning algorithms in Earth Engine's highly parallelized computing environment, and we will show examples for New York and Senegal.

Using decision-tree classifier systems to extract knowledge from databases

NASA Technical Reports Server (NTRS)

St.clair, D. C.; Sabharwal, C. L.; Hacke, Keith; Bond, W. E.

1990-01-01

One difficulty in applying artificial intelligence techniques to the solution of real world problems is that the development and maintenance of many AI systems, such as those used in diagnostics, require large amounts of human resources. At the same time, databases frequently exist which contain information about the process(es) of interest. Recently, efforts to reduce development and maintenance costs of AI systems have focused on using machine learning techniques to extract knowledge from existing databases. Research is described in the area of knowledge extraction using a class of machine learning techniques called decision-tree classifier systems. Results of this research suggest ways of performing knowledge extraction which may be applied in numerous situations. In addition, a measurement called the concept strength metric (CSM) is described which can be used to determine how well the resulting decision tree can differentiate between the concepts it has learned. The CSM can be used to determine whether or not additional knowledge needs to be extracted from the database. An experiment involving real world data is presented to illustrate the concepts described.

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

NASA Astrophysics Data System (ADS)

Marçais, J.; Gupta, H. V.; De Dreuzy, J. R.; Troch, P. A. A.

2016-12-01

Geomorphological structure and geological heterogeneity of hillslopes are major controls on runoff responses. The diversity of hillslopes (morphological shapes and geological structures) on one hand, and the highly non linear runoff mechanism response on the other hand, make it difficult to transpose what has been learnt at one specific hillslope to another. Therefore, making reliable predictions on runoff appearance or river flow for a given hillslope is a challenge. Applying a classic model calibration (based on inverse problems technique) requires doing it for each specific hillslope and having some data available for calibration. When applied to thousands of cases it cannot always be promoted. Here we propose a novel modeling framework based on coupling process based models with data based approach. First we develop a mechanistic model, based on hillslope storage Boussinesq equations (Troch et al. 2003), able to model non linear runoff responses to rainfall at the hillslope scale. Second we set up a model database, representing thousands of non calibrated simulations. These simulations investigate different hillslope shapes (real ones obtained by analyzing 5m digital elevation model of Brittany and synthetic ones), different hillslope geological structures (i.e. different parametrizations) and different hydrologic forcing terms (i.e. different infiltration chronicles). Then, we use this model library to train a machine learning model on this physically based database. Machine learning model performance is then assessed by a classic validating phase (testing it on new hillslopes and comparing machine learning with mechanistic outputs). Finally we use this machine learning model to learn what are the hillslope properties controlling runoffs. This methodology will be further tested combining synthetic datasets with real ones.

Machine Learning Approaches in Cardiovascular Imaging.

PubMed

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

2017-10-01

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

Health Informatics via Machine Learning for the Clinical Management of Patients.

PubMed

Clifton, D A; Niehaus, K E; Charlton, P; Colopy, G W

2015-08-13

To review how health informatics systems based on machine learning methods have impacted the clinical management of patients, by affecting clinical practice. We reviewed literature from 2010-2015 from databases such as Pubmed, IEEE xplore, and INSPEC, in which methods based on machine learning are likely to be reported. We bring together a broad body of literature, aiming to identify those leading examples of health informatics that have advanced the methodology of machine learning. While individual methods may have further examples that might be added, we have chosen some of the most representative, informative exemplars in each case. Our survey highlights that, while much research is taking place in this high-profile field, examples of those that affect the clinical management of patients are seldom found. We show that substantial progress is being made in terms of methodology, often by data scientists working in close collaboration with clinical groups. Health informatics systems based on machine learning are in their infancy and the translation of such systems into clinical management has yet to be performed at scale.

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

PubMed Central

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

2013-01-01

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

Contemporary machine learning: techniques for practitioners in the physical sciences

NASA Astrophysics Data System (ADS)

Spears, Brian

2017-10-01

Machine learning is the science of using computers to find relationships in data without explicitly knowing or programming those relationships in advance. Often without realizing it, we employ machine learning every day as we use our phones or drive our cars. Over the last few years, machine learning has found increasingly broad application in the physical sciences. This most often involves building a model relationship between a dependent, measurable output and an associated set of controllable, but complicated, independent inputs. The methods are applicable both to experimental observations and to databases of simulated output from large, detailed numerical simulations. In this tutorial, we will present an overview of current tools and techniques in machine learning - a jumping-off point for researchers interested in using machine learning to advance their work. We will discuss supervised learning techniques for modeling complicated functions, beginning with familiar regression schemes, then advancing to more sophisticated decision trees, modern neural networks, and deep learning methods. Next, we will cover unsupervised learning and techniques for reducing the dimensionality of input spaces and for clustering data. We'll show example applications from both magnetic and inertial confinement fusion. Along the way, we will describe methods for practitioners to help ensure that their models generalize from their training data to as-yet-unseen test data. We will finally point out some limitations to modern machine learning and speculate on some ways that practitioners from the physical sciences may be particularly suited to help. This work was performed by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

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

PubMed

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

2017-07-01

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

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

PubMed

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

2015-09-20

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

Advancing the large-scale CCS database for metabolomics and lipidomics at the machine-learning era.

PubMed

Zhou, Zhiwei; Tu, Jia; Zhu, Zheng-Jiang

2018-02-01

Metabolomics and lipidomics aim to comprehensively measure the dynamic changes of all metabolites and lipids that are present in biological systems. The use of ion mobility-mass spectrometry (IM-MS) for metabolomics and lipidomics has facilitated the separation and the identification of metabolites and lipids in complex biological samples. The collision cross-section (CCS) value derived from IM-MS is a valuable physiochemical property for the unambiguous identification of metabolites and lipids. However, CCS values obtained from experimental measurement and computational modeling are limited available, which significantly restricts the application of IM-MS. In this review, we will discuss the recently developed machine-learning based prediction approach, which could efficiently generate precise CCS databases in a large scale. We will also highlight the applications of CCS databases to support metabolomics and lipidomics. Copyright © 2017 Elsevier Ltd. All rights reserved.

An open experimental database for exploring inorganic materials

DOE PAGES

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus; ...

2018-04-03

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half ofmore » these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.« less

An open experimental database for exploring inorganic materials.

PubMed

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus; Perkins, John D; White, Robert; Munch, Kristin; Tumas, William; Phillips, Caleb

2018-04-03

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.

An open experimental database for exploring inorganic materials

PubMed Central

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus; Perkins, John D.; White, Robert; Munch, Kristin; Tumas, William; Phillips, Caleb

2018-01-01

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource. PMID:29611842

An open experimental database for exploring inorganic materials

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

Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half ofmore » these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.« less

Counterfeit Electronics Detection Using Image Processing and Machine Learning

NASA Astrophysics Data System (ADS)

Asadizanjani, Navid; Tehranipoor, Mark; Forte, Domenic

2017-01-01

Counterfeiting is an increasing concern for businesses and governments as greater numbers of counterfeit integrated circuits (IC) infiltrate the global market. There is an ongoing effort in experimental and national labs inside the United States to detect and prevent such counterfeits in the most efficient time period. However, there is still a missing piece to automatically detect and properly keep record of detected counterfeit ICs. Here, we introduce a web application database that allows users to share previous examples of counterfeits through an online database and to obtain statistics regarding the prevalence of known defects. We also investigate automated techniques based on image processing and machine learning to detect different physical defects and to determine whether or not an IC is counterfeit.

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

PubMed

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 < 0.0001). Decision Curve Analysis showed that the 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.

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

PubMed

Wang, Hsin-Wei; Pai, Tun-Wen

2014-01-01

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

A Comparison of Machine Learning Approaches for Corn Yield Estimation

NASA Astrophysics Data System (ADS)

Kim, N.; Lee, Y. W.

2017-12-01

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

Structural and Sequence Similarity Makes a Significant Impact on Machine-Learning-Based Scoring Functions for Protein-Ligand Interactions.

PubMed

Li, Yang; Yang, Jianyi

2017-04-24

The prediction of protein-ligand binding affinity has recently been improved remarkably by machine-learning-based scoring functions. For example, using a set of simple descriptors representing the atomic distance counts, the RF-Score improves the Pearson correlation coefficient to about 0.8 on the core set of the PDBbind 2007 database, which is significantly higher than the performance of any conventional scoring function on the same benchmark. A few studies have been made to discuss the performance of machine-learning-based methods, but the reason for this improvement remains unclear. In this study, by systemically controlling the structural and sequence similarity between the training and test proteins of the PDBbind benchmark, we demonstrate that protein structural and sequence similarity makes a significant impact on machine-learning-based methods. After removal of training proteins that are highly similar to the test proteins identified by structure alignment and sequence alignment, machine-learning-based methods trained on the new training sets do not outperform the conventional scoring functions any more. On the contrary, the performance of conventional functions like X-Score is relatively stable no matter what training data are used to fit the weights of its energy terms.

Machine Learning and Deep Learning Models to Predict Runoff Water Quantity and Quality

NASA Astrophysics Data System (ADS)

Bradford, S. A.; Liang, J.; Li, W.; Murata, T.; Simunek, J.

2017-12-01

Contaminants can be rapidly transported at the soil surface by runoff to surface water bodies. Physically-based models, which are based on the mathematical description of main hydrological processes, are key tools for predicting surface water impairment. Along with physically-based models, data-driven models are becoming increasingly popular for describing the behavior of hydrological and water resources systems since these models can be used to complement or even replace physically based-models. In this presentation we propose a new data-driven model as an alternative to a physically-based overland flow and transport model. First, we have developed a physically-based numerical model to simulate overland flow and contaminant transport (the HYDRUS-1D overland flow module). A large number of numerical simulations were carried out to develop a database containing information about the impact of various input parameters (weather patterns, surface topography, vegetation, soil conditions, contaminants, and best management practices) on runoff water quantity and quality outputs. This database was used to train data-driven models. Three different methods (Neural Networks, Support Vector Machines, and Recurrence Neural Networks) were explored to prepare input- output functional relations. Results demonstrate the ability and limitations of machine learning and deep learning models to predict runoff water quantity and quality.

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

PubMed Central

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

2017-01-01

Background 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. Methods and finding 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 < 0.0001). Decision Curve Analysis showed that the machine learning model, in this monocentric study, has a greater benefit whatever the probability threshold. Conclusions 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. PMID:28060903

Investigating Mesoscale Convective Systems and their Predictability Using Machine Learning

NASA Astrophysics Data System (ADS)

Daher, H.; Duffy, D.; Bowen, M. K.

2016-12-01

A mesoscale convective system (MCS) is a thunderstorm region that lasts several hours long and forms near weather fronts and can often develop into tornadoes. Here we seek to answer the question of whether these tornadoes are "predictable" by looking for a defining characteristic(s) separating MCSs that evolve into tornadoes versus those that do not. Using NASA's Modern Era Retrospective-analysis for Research and Applications 2 reanalysis data (M2R12K), we apply several state of the art machine learning techniques to investigate this question. The spatial region examined in this experiment is Tornado Alley in the United States over the peak tornado months. A database containing select variables from M2R12K is created using PostgreSQL. This database is then analyzed using machine learning methods such as Symbolic Aggregate approXimation (SAX) and DBSCAN (an unsupervised density-based data clustering algorithm). The incentive behind using these methods is to mathematically define a MCS so that association rule mining techniques can be used to uncover some sort of signal or teleconnection that will help us forecast which MCSs will result in tornadoes and therefore give society more time to prepare and in turn reduce casualties and destruction.

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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.

Optimized extreme learning machine for urban land cover classification using hyperspectral imagery

NASA Astrophysics Data System (ADS)

Su, Hongjun; Tian, Shufang; Cai, Yue; Sheng, Yehua; Chen, Chen; Najafian, Maryam

2017-12-01

This work presents a new urban land cover classification framework using the firefly algorithm (FA) optimized extreme learning machine (ELM). FA is adopted to optimize the regularization coefficient C and Gaussian kernel σ for kernel ELM. Additionally, effectiveness of spectral features derived from an FA-based band selection algorithm is studied for the proposed classification task. Three sets of hyperspectral databases were recorded using different sensors, namely HYDICE, HyMap, and AVIRIS. Our study shows that the proposed method outperforms traditional classification algorithms such as SVM and reduces computational cost significantly.

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

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

Xu, Songhua; Tourassi, Georgia

2012-01-01

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

Machine-learned and codified synthesis parameters of oxide materials

NASA Astrophysics Data System (ADS)

Kim, Edward; Huang, Kevin; Tomala, Alex; Matthews, Sara; Strubell, Emma; Saunders, Adam; McCallum, Andrew; Olivetti, Elsa

2017-09-01

Predictive materials design has rapidly accelerated in recent years with the advent of large-scale resources, such as materials structure and property databases generated by ab initio computations. In the absence of analogous ab initio frameworks for materials synthesis, high-throughput and machine learning techniques have recently been harnessed to generate synthesis strategies for select materials of interest. Still, a community-accessible, autonomously-compiled synthesis planning resource which spans across materials systems has not yet been developed. In this work, we present a collection of aggregated synthesis parameters computed using the text contained within over 640,000 journal articles using state-of-the-art natural language processing and machine learning techniques. We provide a dataset of synthesis parameters, compiled autonomously across 30 different oxide systems, in a format optimized for planning novel syntheses of materials.

MLViS: A Web Tool for Machine Learning-Based Virtual Screening in Early-Phase of Drug Discovery and Development

PubMed Central

Korkmaz, Selcuk; Zararsiz, Gokmen; Goksuluk, Dincer

2015-01-01

Virtual screening is an important step in early-phase of drug discovery process. Since there are thousands of compounds, this step should be both fast and effective in order to distinguish drug-like and nondrug-like molecules. Statistical machine learning methods are widely used in drug discovery studies for classification purpose. Here, we aim to develop a new tool, which can classify molecules as drug-like and nondrug-like based on various machine learning methods, including discriminant, tree-based, kernel-based, ensemble and other algorithms. To construct this tool, first, performances of twenty-three different machine learning algorithms are compared by ten different measures, then, ten best performing algorithms have been selected based on principal component and hierarchical cluster analysis results. Besides classification, this application has also ability to create heat map and dendrogram for visual inspection of the molecules through hierarchical cluster analysis. Moreover, users can connect the PubChem database to download molecular information and to create two-dimensional structures of compounds. This application is freely available through www.biosoft.hacettepe.edu.tr/MLViS/. PMID:25928885

Data Mining in Finance: Using Counterfactuals To Generate Knowledge from Organizational Information Systems.

ERIC Educational Resources Information Center

Dhar, Vasant

1998-01-01

Shows how counterfactuals and machine learning methods can be used to guide exploration of large databases that addresses some of the fundamental problems that organizations face in learning from data. Discusses data mining, particularly in the financial arena; generating useful knowledge from data; and the evaluation of counterfactuals. (LRW)

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

PubMed

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

2016-04-01

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

AMS 4.0: consensus prediction of post-translational modifications in protein sequences.

PubMed

Plewczynski, Dariusz; Basu, Subhadip; Saha, Indrajit

2012-08-01

We present here the 2011 update of the AutoMotif Service (AMS 4.0) that predicts the wide selection of 88 different types of the single amino acid post-translational modifications (PTM) in protein sequences. The selection of experimentally confirmed modifications is acquired from the latest UniProt and Phospho.ELM databases for training. The sequence vicinity of each modified residue is represented using amino acids physico-chemical features encoded using high quality indices (HQI) obtaining by automatic clustering of known indices extracted from AAindex database. For each type of the numerical representation, the method builds the ensemble of Multi-Layer Perceptron (MLP) pattern classifiers, each optimising different objectives during the training (for example the recall, precision or area under the ROC curve (AUC)). The consensus is built using brainstorming technology, which combines multi-objective instances of machine learning algorithm, and the data fusion of different training objects representations, in order to boost the overall prediction accuracy of conserved short sequence motifs. The performance of AMS 4.0 is compared with the accuracy of previous versions, which were constructed using single machine learning methods (artificial neural networks, support vector machine). Our software improves the average AUC score of the earlier version by close to 7 % as calculated on the test datasets of all 88 PTM types. Moreover, for the selected most-difficult sequence motifs types it is able to improve the prediction performance by almost 32 %, when compared with previously used single machine learning methods. Summarising, the brainstorming consensus meta-learning methodology on the average boosts the AUC score up to around 89 %, averaged over all 88 PTM types. Detailed results for single machine learning methods and the consensus methodology are also provided, together with the comparison to previously published methods and state-of-the-art software tools. The source code and precompiled binaries of brainstorming tool are available at http://code.google.com/p/automotifserver/ under Apache 2.0 licensing.

Machine learning and microsimulation techniques on the prognosis of dementia: A systematic literature review.

PubMed

Dallora, Ana Luiza; Eivazzadeh, Shahryar; Mendes, Emilia; Berglund, Johan; Anderberg, Peter

2017-01-01

Dementia is a complex disorder characterized by poor outcomes for the patients and high costs of care. After decades of research little is known about its mechanisms. Having prognostic estimates about dementia can help researchers, patients and public entities in dealing with this disorder. Thus, health data, machine learning and microsimulation techniques could be employed in developing prognostic estimates for dementia. The goal of this paper is to present evidence on the state of the art of studies investigating and the prognosis of dementia using machine learning and microsimulation techniques. To achieve our goal we carried out a systematic literature review, in which three large databases-Pubmed, Socups and Web of Science were searched to select studies that employed machine learning or microsimulation techniques for the prognosis of dementia. A single backward snowballing was done to identify further studies. A quality checklist was also employed to assess the quality of the evidence presented by the selected studies, and low quality studies were removed. Finally, data from the final set of studies were extracted in summary tables. In total 37 papers were included. The data summary results showed that the current research is focused on the investigation of the patients with mild cognitive impairment that will evolve to Alzheimer's disease, using machine learning techniques. Microsimulation studies were concerned with cost estimation and had a populational focus. Neuroimaging was the most commonly used variable. Prediction of conversion from MCI to AD is the dominant theme in the selected studies. Most studies used ML techniques on Neuroimaging data. Only a few data sources have been recruited by most studies and the ADNI database is the one most commonly used. Only two studies have investigated the prediction of epidemiological aspects of Dementia using either ML or MS techniques. Finally, care should be taken when interpreting the reported accuracy of ML techniques, given studies' different contexts.

Reviewing the connection between speech and obstructive sleep apnea.

PubMed

Espinoza-Cuadros, Fernando; Fernández-Pozo, Rubén; Toledano, Doroteo T; Alcázar-Ramírez, José D; López-Gonzalo, Eduardo; Hernández-Gómez, Luis A

2016-02-20

Sleep apnea (OSA) is a common sleep disorder characterized by recurring breathing pauses during sleep caused by a blockage of the upper airway (UA). The altered UA structure or function in OSA speakers has led to hypothesize the automatic analysis of speech for OSA assessment. In this paper we critically review several approaches using speech analysis and machine learning techniques for OSA detection, and discuss the limitations that can arise when using machine learning techniques for diagnostic applications. A large speech database including 426 male Spanish speakers suspected to suffer OSA and derived to a sleep disorders unit was used to study the clinical validity of several proposals using machine learning techniques to predict the apnea-hypopnea index (AHI) or classify individuals according to their OSA severity. AHI describes the severity of patients' condition. We first evaluate AHI prediction using state-of-the-art speaker recognition technologies: speech spectral information is modelled using supervectors or i-vectors techniques, and AHI is predicted through support vector regression (SVR). Using the same database we then critically review several OSA classification approaches previously proposed. The influence and possible interference of other clinical variables or characteristics available for our OSA population: age, height, weight, body mass index, and cervical perimeter, are also studied. The poor results obtained when estimating AHI using supervectors or i-vectors followed by SVR contrast with the positive results reported by previous research. This fact prompted us to a careful review of these approaches, also testing some reported results over our database. Several methodological limitations and deficiencies were detected that may have led to overoptimistic results. The methodological deficiencies observed after critically reviewing previous research can be relevant examples of potential pitfalls when using machine learning techniques for diagnostic applications. We have found two common limitations that can explain the likelihood of false discovery in previous research: (1) the use of prediction models derived from sources, such as speech, which are also correlated with other patient characteristics (age, height, sex,…) that act as confounding factors; and (2) overfitting of feature selection and validation methods when working with a high number of variables compared to the number of cases. We hope this study could not only be a useful example of relevant issues when using machine learning for medical diagnosis, but it will also help in guiding further research on the connection between speech and OSA.

Survey of Analysis of Crime Detection Techniques Using Data Mining and Machine Learning

NASA Astrophysics Data System (ADS)

Prabakaran, S.; Mitra, Shilpa

2018-04-01

Data mining is the field containing procedures for finding designs or patterns in a huge dataset, it includes strategies at the convergence of machine learning and database framework. It can be applied to various fields like future healthcare, market basket analysis, education, manufacturing engineering, crime investigation etc. Among these, crime investigation is an interesting application to process crime characteristics to help the society for a better living. This paper survey various data mining techniques used in this domain. This study may be helpful in designing new strategies for crime prediction and analysis.

Machine learning landscapes and predictions for patient outcomes

NASA Astrophysics Data System (ADS)

Das, Ritankar; Wales, David J.

2017-07-01

The theory and computational tools developed to interpret and explore energy landscapes in molecular science are applied to the landscapes defined by local minima for neural networks. These machine learning landscapes correspond to fits of training data, where the inputs are vital signs and laboratory measurements for a database of patients, and the objective is to predict a clinical outcome. In this contribution, we test the predictions obtained by fitting to single measurements, and then to combinations of between 2 and 10 different patient medical data items. The effect of including measurements over different time intervals from the 48 h period in question is analysed, and the most recent values are found to be the most important. We also compare results obtained for neural networks as a function of the number of hidden nodes, and for different values of a regularization parameter. The predictions are compared with an alternative convex fitting function, and a strong correlation is observed. The dependence of these results on the patients randomly selected for training and testing decreases systematically with the size of the database available. The machine learning landscapes defined by neural network fits in this investigation have single-funnel character, which probably explains why it is relatively straightforward to obtain the global minimum solution, or a fit that behaves similarly to this optimal parameterization.

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

NASA Astrophysics Data System (ADS)

Yang, Hongbin; Sun, Lixia; Li, Weihua; Liu, Guixia; Tang, Yun

2018-02-01

For a drug, safety is always the most important issue, including a variety of toxicities and adverse drug effects, which should be evaluated in preclinical and clinical trial phases. This review article at first simply introduced the computational methods used in prediction of chemical toxicity for drug design, including machine learning methods and structural alerts. Machine learning methods have been widely applied in qualitative classification and quantitative regression studies, while structural alerts can be regarded as a complementary tool for lead optimization. The emphasis of this article was put on the recent progress of predictive models built for various toxicities. Available databases and web servers were also provided. Though the methods and models are very helpful for drug design, there are still some challenges and limitations to be improved for drug safety assessment in the future.

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

PubMed Central

Yang, Hongbin; Sun, Lixia; Li, Weihua; Liu, Guixia; Tang, Yun

2018-01-01

During drug development, safety is always the most important issue, including a variety of toxicities and adverse drug effects, which should be evaluated in preclinical and clinical trial phases. This review article at first simply introduced the computational methods used in prediction of chemical toxicity for drug design, including machine learning methods and structural alerts. Machine learning methods have been widely applied in qualitative classification and quantitative regression studies, while structural alerts can be regarded as a complementary tool for lead optimization. The emphasis of this article was put on the recent progress of predictive models built for various toxicities. Available databases and web servers were also provided. Though the methods and models are very helpful for drug design, there are still some challenges and limitations to be improved for drug safety assessment in the future. PMID:29515993

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

PubMed Central

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

2017-01-01

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

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

PubMed

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

2014-01-01

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

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

PubMed Central

2014-01-01

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

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

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

Hemphill, Geralyn M.

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 bemore » 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.« less

Learning atoms for materials discovery.

PubMed

Zhou, Quan; Tang, Peizhe; Liu, Shenxiu; Pan, Jinbo; Yan, Qimin; Zhang, Shou-Cheng

2018-06-26

Exciting advances have been made in artificial intelligence (AI) during recent decades. Among them, applications of machine learning (ML) and deep learning techniques brought human-competitive performances in various tasks of fields, including image recognition, speech recognition, and natural language understanding. Even in Go, the ancient game of profound complexity, the AI player has already beat human world champions convincingly with and without learning from the human. In this work, we show that our unsupervised machines (Atom2Vec) can learn the basic properties of atoms by themselves from the extensive database of known compounds and materials. These learned properties are represented in terms of high-dimensional vectors, and clustering of atoms in vector space classifies them into meaningful groups consistent with human knowledge. We use the atom vectors as basic input units for neural networks and other ML models designed and trained to predict materials properties, which demonstrate significant accuracy. Copyright © 2018 the Author(s). Published by PNAS.

Bias-Free Chemically Diverse Test Sets from Machine Learning.

PubMed

Swann, Ellen T; Fernandez, Michael; Coote, Michelle L; Barnard, Amanda S

2017-08-14

Current benchmarking methods in quantum chemistry rely on databases that are built using a chemist's intuition. It is not fully understood how diverse or representative these databases truly are. Multivariate statistical techniques like archetypal analysis and K-means clustering have previously been used to summarize large sets of nanoparticles however molecules are more diverse and not as easily characterized by descriptors. In this work, we compare three sets of descriptors based on the one-, two-, and three-dimensional structure of a molecule. Using data from the NIST Computational Chemistry Comparison and Benchmark Database and machine learning techniques, we demonstrate the functional relationship between these structural descriptors and the electronic energy of molecules. Archetypes and prototypes found with topological or Coulomb matrix descriptors can be used to identify smaller, statistically significant test sets that better capture the diversity of chemical space. We apply this same method to find a diverse subset of organic molecules to demonstrate how the methods can easily be reapplied to individual research projects. Finally, we use our bias-free test sets to assess the performance of density functional theory and quantum Monte Carlo methods.

Landcover Classification Using Deep Fully Convolutional Neural Networks

NASA Astrophysics Data System (ADS)

Wang, J.; Li, X.; Zhou, S.; Tang, J.

2017-12-01

Land cover classification has always been an essential application in remote sensing. Certain image features are needed for land cover classification whether it is based on pixel or object-based methods. Different from other machine learning methods, deep learning model not only extracts useful information from multiple bands/attributes, but also learns spatial characteristics. In recent years, deep learning methods have been developed rapidly and widely applied in image recognition, semantic understanding, and other application domains. However, there are limited studies applying deep learning methods in land cover classification. In this research, we used fully convolutional networks (FCN) as the deep learning model to classify land covers. The National Land Cover Database (NLCD) within the state of Kansas was used as training dataset and Landsat images were classified using the trained FCN model. We also applied an image segmentation method to improve the original results from the FCN model. In addition, the pros and cons between deep learning and several machine learning methods were compared and explored. Our research indicates: (1) FCN is an effective classification model with an overall accuracy of 75%; (2) image segmentation improves the classification results with better match of spatial patterns; (3) FCN has an excellent ability of learning which can attains higher accuracy and better spatial patterns compared with several machine learning methods.

Machine learning to parse breast pathology reports in Chinese.

PubMed

Tang, Rong; Ouyang, Lizhi; Li, Clara; He, Yue; Griffin, Molly; Taghian, Alphonse; Smith, Barbara; Yala, Adam; Barzilay, Regina; Hughes, Kevin

2018-06-01

Large structured databases of pathology findings are valuable in deriving new clinical insights. However, they are labor intensive to create and generally require manual annotation. There has been some work in the bioinformatics community to support automating this work via machine learning in English. Our contribution is to provide an automated approach to construct such structured databases in Chinese, and to set the stage for extraction from other languages. We collected 2104 de-identified Chinese benign and malignant breast pathology reports from Hunan Cancer Hospital. Physicians with native Chinese proficiency reviewed the reports and annotated a variety of binary and numerical pathologic entities. After excluding 78 cases with a bilateral lesion in the same report, 1216 cases were used as a training set for the algorithm, which was then refined by 405 development cases. The Natural language processing algorithm was tested by using the remaining 405 cases to evaluate the machine learning outcome. The model was used to extract 13 binary entities and 8 numerical entities. When compared to physicians with native Chinese proficiency, the model showed a per-entity accuracy from 91 to 100% for all common diagnoses on the test set. The overall accuracy of binary entities was 98% and of numerical entities was 95%. In a per-report evaluation for binary entities with more than 100 training cases, 85% of all the testing reports were completely correct and 11% had an error in 1 out of 22 entities. We have demonstrated that Chinese breast pathology reports can be automatically parsed into structured data using standard machine learning approaches. The results of our study demonstrate that techniques effective in parsing English reports can be scaled to other languages.

A Machine Learning Framework for Plan Payment Risk Adjustment.

PubMed

Rose, Sherri

2016-12-01

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

Automatic detection of anatomical regions in frontal x-ray images: comparing convolutional neural networks to random forest

NASA Astrophysics Data System (ADS)

Olory Agomma, R.; Vázquez, C.; Cresson, T.; De Guise, J.

2018-02-01

Most algorithms to detect and identify anatomical structures in medical images require either to be initialized close to the target structure, or to know that the structure is present in the image, or to be trained on a homogeneous database (e.g. all full body or all lower limbs). Detecting these structures when there is no guarantee that the structure is present in the image, or when the image database is heterogeneous (mixed configurations), is a challenge for automatic algorithms. In this work we compared two state-of-the-art machine learning techniques in order to determine which one is the most appropriate for predicting targets locations based on image patches. By knowing the position of thirteen landmarks points, labelled by an expert in EOS frontal radiography, we learn the displacement between salient points detected in the image and these thirteen landmarks. The learning step is carried out with a machine learning approach by exploring two methods: Convolutional Neural Network (CNN) and Random Forest (RF). The automatic detection of the thirteen landmarks points in a new image is then obtained by averaging the positions of each one of these thirteen landmarks estimated from all the salient points in the new image. We respectively obtain for CNN and RF, an average prediction error (both mean and standard deviation in mm) of 29 +/-18 and 30 +/- 21 for the thirteen landmarks points, indicating the approximate location of anatomical regions. On the other hand, the learning time is 9 days for CNN versus 80 minutes for RF. We provide a comparison of the results between the two machine learning approaches.

Prediction of lung cancer patient survival via supervised machine learning classification techniques.

PubMed

Lynch, Chip M; Abdollahi, Behnaz; Fuqua, Joshua D; de Carlo, Alexandra R; Bartholomai, James A; Balgemann, Rayeanne N; van Berkel, Victor H; Frieboes, Hermann B

2017-12-01

Outcomes for cancer patients have been previously estimated by applying various machine learning techniques to large datasets such as the Surveillance, Epidemiology, and End Results (SEER) program database. In particular for lung cancer, it is not well understood which types of techniques would yield more predictive information, and which data attributes should be used in order to determine this information. In this study, a number of supervised learning techniques is applied to the SEER database to classify lung cancer patients in terms of survival, including linear regression, Decision Trees, Gradient Boosting Machines (GBM), Support Vector Machines (SVM), and a custom ensemble. Key data attributes in applying these methods include tumor grade, tumor size, gender, age, stage, and number of primaries, with the goal to enable comparison of predictive power between the various methods The prediction is treated like a continuous target, rather than a classification into categories, as a first step towards improving survival prediction. The results show that the predicted values agree with actual values for low to moderate survival times, which constitute the majority of the data. The best performing technique was the custom ensemble with a Root Mean Square Error (RMSE) value of 15.05. The most influential model within the custom ensemble was GBM, while Decision Trees may be inapplicable as it had too few discrete outputs. The results further show that among the five individual models generated, the most accurate was GBM with an RMSE value of 15.32. Although SVM underperformed with an RMSE value of 15.82, statistical analysis singles the SVM as the only model that generated a distinctive output. The results of the models are consistent with a classical Cox proportional hazards model used as a reference technique. We conclude that application of these supervised learning techniques to lung cancer data in the SEER database may be of use to estimate patient survival time with the ultimate goal to inform patient care decisions, and that the performance of these techniques with this particular dataset may be on par with that of classical methods. Copyright © 2017 Elsevier B.V. All rights reserved.

Making Individual Prognoses in Psychiatry Using Neuroimaging and Machine Learning.

PubMed

Janssen, Ronald J; Mourão-Miranda, Janaina; Schnack, Hugo G

2018-04-22

Psychiatric prognosis is a difficult problem. Making a prognosis requires looking far into the future, as opposed to making a diagnosis, which is concerned with the current state. During the follow-up period, many factors will influence the course of the disease. Combined with the usually scarcer longitudinal data and the variability in the definition of outcomes/transition, this makes prognostic predictions a challenging endeavor. Employing neuroimaging data in this endeavor introduces the additional hurdle of high dimensionality. Machine-learning techniques are especially suited to tackle this challenging problem. This review starts with a brief introduction to machine learning in the context of its application to clinical neuroimaging data. We highlight a few issues that are especially relevant for prediction of outcome and transition using neuroimaging. We then review the literature that discusses the application of machine learning for this purpose. Critical examination of the studies and their results with respect to the relevant issues revealed the following: 1) there is growing evidence for the prognostic capability of machine-learning-based models using neuroimaging; and 2) reported accuracies may be too optimistic owing to small sample sizes and the lack of independent test samples. Finally, we discuss options to improve the reliability of (prognostic) prediction models. These include new methodologies and multimodal modeling. Paramount, however, is our conclusion that future work will need to provide properly (cross-)validated accuracy estimates of models trained on sufficiently large datasets. Nevertheless, with the technological advances enabling acquisition of large databases of patients and healthy subjects, machine learning represents a powerful tool in the search for psychiatric biomarkers. Copyright © 2018 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

Joint Sparse Representation for Robust Multimodal Biometrics Recognition

DTIC Science & Technology

2014-01-01

comprehensive multimodal dataset and a face database are described in section V. Finally, in section VI, we discuss the computational complexity of...fingerprint, iris, palmprint , hand geometry and voice from subjects of different age, gender and ethnicity as described in Table I. It is a...Taylor, “Constructing nonlinear discriminants from multiple data views,” Machine Learning and Knowl- edge Discovery in Databases , pp. 328–343, 2010

Data Stream Mining

NASA Astrophysics Data System (ADS)

Gaber, Mohamed Medhat; Zaslavsky, Arkady; Krishnaswamy, Shonali

Data mining is concerned with the process of computationally extracting hidden knowledge structures represented in models and patterns from large data repositories. It is an interdisciplinary field of study that has its roots in databases, statistics, machine learning, and data visualization. Data mining has emerged as a direct outcome of the data explosion that resulted from the success in database and data warehousing technologies over the past two decades (Fayyad, 1997,Fayyad, 1998,Kantardzic, 2003).

Optimisation of a machine learning algorithm in human locomotion using principal component and discriminant function analyses.

PubMed

Bisele, Maria; Bencsik, Martin; Lewis, Martin G C; Barnett, Cleveland T

2017-01-01

Assessment methods in human locomotion often involve the description of normalised graphical profiles and/or the extraction of discrete variables. Whilst useful, these approaches may not represent the full complexity of gait data. Multivariate statistical methods, such as Principal Component Analysis (PCA) and Discriminant Function Analysis (DFA), have been adopted since they have the potential to overcome these data handling issues. The aim of the current study was to develop and optimise a specific machine learning algorithm for processing human locomotion data. Twenty participants ran at a self-selected speed across a 15m runway in barefoot and shod conditions. Ground reaction forces (BW) and kinematics were measured at 1000 Hz and 100 Hz, respectively from which joint angles (°), joint moments (N.m.kg-1) and joint powers (W.kg-1) for the hip, knee and ankle joints were calculated in all three anatomical planes. Using PCA and DFA, power spectra of the kinematic and kinetic variables were used as a training database for the development of a machine learning algorithm. All possible combinations of 10 out of 20 participants were explored to find the iteration of individuals that would optimise the machine learning algorithm. The results showed that the algorithm was able to successfully predict whether a participant ran shod or barefoot in 93.5% of cases. To the authors' knowledge, this is the first study to optimise the development of a machine learning algorithm.

Optimisation of a machine learning algorithm in human locomotion using principal component and discriminant function analyses

PubMed Central

Bisele, Maria; Bencsik, Martin; Lewis, Martin G. C.

2017-01-01

Assessment methods in human locomotion often involve the description of normalised graphical profiles and/or the extraction of discrete variables. Whilst useful, these approaches may not represent the full complexity of gait data. Multivariate statistical methods, such as Principal Component Analysis (PCA) and Discriminant Function Analysis (DFA), have been adopted since they have the potential to overcome these data handling issues. The aim of the current study was to develop and optimise a specific machine learning algorithm for processing human locomotion data. Twenty participants ran at a self-selected speed across a 15m runway in barefoot and shod conditions. Ground reaction forces (BW) and kinematics were measured at 1000 Hz and 100 Hz, respectively from which joint angles (°), joint moments (N.m.kg-1) and joint powers (W.kg-1) for the hip, knee and ankle joints were calculated in all three anatomical planes. Using PCA and DFA, power spectra of the kinematic and kinetic variables were used as a training database for the development of a machine learning algorithm. All possible combinations of 10 out of 20 participants were explored to find the iteration of individuals that would optimise the machine learning algorithm. The results showed that the algorithm was able to successfully predict whether a participant ran shod or barefoot in 93.5% of cases. To the authors’ knowledge, this is the first study to optimise the development of a machine learning algorithm. PMID:28886059

The LSST Data Mining Research Agenda

NASA Astrophysics Data System (ADS)

Borne, K.; Becla, J.; Davidson, I.; Szalay, A.; Tyson, J. A.

2008-12-01

We describe features of the LSST science database that are amenable to scientific data mining, object classification, outlier identification, anomaly detection, image quality assurance, and survey science validation. The data mining research agenda includes: scalability (at petabytes scales) of existing machine learning and data mining algorithms; development of grid-enabled parallel data mining algorithms; designing a robust system for brokering classifications from the LSST event pipeline (which may produce 10,000 or more event alerts per night) multi-resolution methods for exploration of petascale databases; indexing of multi-attribute multi-dimensional astronomical databases (beyond spatial indexing) for rapid querying of petabyte databases; and more.

Machine learning of molecular electronic properties in chemical compound space

NASA Astrophysics Data System (ADS)

Montavon, Grégoire; Rupp, Matthias; Gobre, Vivekanand; Vazquez-Mayagoitia, Alvaro; Hansen, Katja; Tkatchenko, Alexandre; Müller, Klaus-Robert; Anatole von Lilienfeld, O.

2013-09-01

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel and predictive structure-property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning model, trained on a database of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies. The machine learning model is based on a deep multi-task artificial neural network, exploiting the underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules, the accuracy of such a ‘quantum machine’ is similar, and sometimes superior, to modern quantum-chemical methods—at negligible computational cost.

Genome scale enzyme–metabolite and drug–target interaction predictions using the signature molecular descriptor

DOE PAGES

Faulon, Jean-Loup; Misra, Milind; Martin, Shawn; ...

2007-11-23

Motivation: Identifying protein enzymatic or pharmacological activities are important areas of research in biology and chemistry. Biological and chemical databases are increasingly being populated with linkages between protein sequences and chemical structures. Additionally, there is now sufficient information to apply machine-learning techniques to predict interactions between chemicals and proteins at a genome scale. Current machine-learning techniques use as input either protein sequences and structures or chemical information. We propose here a method to infer protein–chemical interactions using heterogeneous input consisting of both protein sequence and chemical information. Results: Our method relies on expressing proteins and chemicals with a common cheminformaticsmore » representation. We demonstrate our approach by predicting whether proteins can catalyze reactions not present in training sets. We also predict whether a given drug can bind a target, in the absence of prior binding information for that drug and target. Lastly, such predictions cannot be made with current machine-learning techniques requiring binding information for individual reactions or individual targets.« less

Machine Learning for Knowledge Extraction from PHR Big Data.

PubMed

Poulymenopoulou, Michaela; Malamateniou, Flora; Vassilacopoulos, George

2014-01-01

Cloud computing, Internet of things (IOT) and NoSQL database technologies can support a new generation of cloud-based PHR services that contain heterogeneous (unstructured, semi-structured and structured) patient data (health, social and lifestyle) from various sources, including automatically transmitted data from Internet connected devices of patient living space (e.g. medical devices connected to patients at home care). The patient data stored in such PHR systems constitute big data whose analysis with the use of appropriate machine learning algorithms is expected to improve diagnosis and treatment accuracy, to cut healthcare costs and, hence, to improve the overall quality and efficiency of healthcare provided. This paper describes a health data analytics engine which uses machine learning algorithms for analyzing cloud based PHR big health data towards knowledge extraction to support better healthcare delivery as regards disease diagnosis and prognosis. This engine comprises of the data preparation, the model generation and the data analysis modules and runs on the cloud taking advantage from the map/reduce paradigm provided by Apache Hadoop.

Mental Health Risk Adjustment with Clinical Categories and Machine Learning.

PubMed

Shrestha, Akritee; Bergquist, Savannah; Montz, Ellen; Rose, Sherri

2017-12-15

To propose nonparametric ensemble machine learning for mental health and substance use disorders (MHSUD) spending risk adjustment formulas, including considering Clinical Classification Software (CCS) categories as diagnostic covariates over the commonly used Hierarchical Condition Category (HCC) system. 2012-2013 Truven MarketScan database. We implement 21 algorithms to predict MHSUD spending, as well as a weighted combination of these algorithms called super learning. The algorithm collection included seven unique algorithms that were supplied with three differing sets of MHSUD-related predictors alongside demographic covariates: HCC, CCS, and HCC + CCS diagnostic variables. Performance was evaluated based on cross-validated R 2 and predictive ratios. Results show that super learning had the best performance based on both metrics. The top single algorithm was random forests, which improved on ordinary least squares regression by 10 percent with respect to relative efficiency. CCS categories-based formulas were generally more predictive of MHSUD spending compared to HCC-based formulas. Literature supports the potential benefit of implementing a separate MHSUD spending risk adjustment formula. Our results suggest there is an incentive to explore machine learning for MHSUD-specific risk adjustment, as well as considering CCS categories over HCCs. © Health Research and Educational Trust.

Literature classification for semi-automated updating of biological knowledgebases

PubMed Central

2013-01-01

Background As the output of biological assays increase in resolution and volume, the body of specialized biological data, such as functional annotations of gene and protein sequences, enables extraction of higher-level knowledge needed for practical application in bioinformatics. Whereas common types of biological data, such as sequence data, are extensively stored in biological databases, functional annotations, such as immunological epitopes, are found primarily in semi-structured formats or free text embedded in primary scientific literature. Results We defined and applied a machine learning approach for literature classification to support updating of TANTIGEN, a knowledgebase of tumor T-cell antigens. Abstracts from PubMed were downloaded and classified as either "relevant" or "irrelevant" for database update. Training and five-fold cross-validation of a k-NN classifier on 310 abstracts yielded classification accuracy of 0.95, thus showing significant value in support of data extraction from the literature. Conclusion We here propose a conceptual framework for semi-automated extraction of epitope data embedded in scientific literature using principles from text mining and machine learning. The addition of such data will aid in the transition of biological databases to knowledgebases. PMID:24564403

Studies of the DIII-D disruption database using Machine Learning algorithms

NASA Astrophysics Data System (ADS)

Rea, Cristina; Granetz, Robert; Meneghini, Orso

2017-10-01

A Random Forests Machine Learning algorithm, trained on a large database of both disruptive and non-disruptive DIII-D discharges, predicts disruptive behavior in DIII-D with about 90% of accuracy. Several algorithms have been tested and Random Forests was found superior in performances for this particular task. Over 40 plasma parameters are included in the database, with data for each of the parameters taken from 500k time slices. We focused on a subset of non-dimensional plasma parameters, deemed to be good predictors based on physics considerations. Both binary (disruptive/non-disruptive) and multi-label (label based on the elapsed time before disruption) classification problems are investigated. The Random Forests algorithm provides insight on the available dataset by ranking the relative importance of the input features. It is found that q95 and Greenwald density fraction (n/nG) are the most relevant parameters for discriminating between DIII-D disruptive and non-disruptive discharges. A comparison with the Gradient Boosted Trees algorithm is shown and the first results coming from the application of regression algorithms are presented. Work supported by the US Department of Energy under DE-FC02-04ER54698, DE-SC0014264 and DE-FG02-95ER54309.

Data exploration systems for databases

NASA Technical Reports Server (NTRS)

Greene, Richard J.; Hield, Christopher

1992-01-01

Data exploration systems apply machine learning techniques, multivariate statistical methods, information theory, and database theory to databases to identify significant relationships among the data and summarize information. The result of applying data exploration systems should be a better understanding of the structure of the data and a perspective of the data enabling an analyst to form hypotheses for interpreting the data. This paper argues that data exploration systems need a minimum amount of domain knowledge to guide both the statistical strategy and the interpretation of the resulting patterns discovered by these systems.

Towards large-scale FAME-based bacterial species identification using machine learning techniques.

PubMed

Slabbinck, Bram; De Baets, Bernard; Dawyndt, Peter; De Vos, Paul

2009-05-01

In the last decade, bacterial taxonomy witnessed a huge expansion. The swift pace of bacterial species (re-)definitions has a serious impact on the accuracy and completeness of first-line identification methods. Consequently, back-end identification libraries need to be synchronized with the List of Prokaryotic names with Standing in Nomenclature. In this study, we focus on bacterial fatty acid methyl ester (FAME) profiling as a broadly used first-line identification method. From the BAME@LMG database, we have selected FAME profiles of individual strains belonging to the genera Bacillus, Paenibacillus and Pseudomonas. Only those profiles resulting from standard growth conditions have been retained. The corresponding data set covers 74, 44 and 95 validly published bacterial species, respectively, represented by 961, 378 and 1673 standard FAME profiles. Through the application of machine learning techniques in a supervised strategy, different computational models have been built for genus and species identification. Three techniques have been considered: artificial neural networks, random forests and support vector machines. Nearly perfect identification has been achieved at genus level. Notwithstanding the known limited discriminative power of FAME analysis for species identification, the computational models have resulted in good species identification results for the three genera. For Bacillus, Paenibacillus and Pseudomonas, random forests have resulted in sensitivity values, respectively, 0.847, 0.901 and 0.708. The random forests models outperform those of the other machine learning techniques. Moreover, our machine learning approach also outperformed the Sherlock MIS (MIDI Inc., Newark, DE, USA). These results show that machine learning proves very useful for FAME-based bacterial species identification. Besides good bacterial identification at species level, speed and ease of taxonomic synchronization are major advantages of this computational species identification strategy.

Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening

PubMed Central

Mu, Lin

2018-01-01

This work introduces a number of algebraic topology approaches, including multi-component persistent homology, multi-level persistent homology, and electrostatic persistence for the representation, characterization, and description of small molecules and biomolecular complexes. In contrast to the conventional persistent homology, multi-component persistent homology retains critical chemical and biological information during the topological simplification of biomolecular geometric complexity. Multi-level persistent homology enables a tailored topological description of inter- and/or intra-molecular interactions of interest. Electrostatic persistence incorporates partial charge information into topological invariants. These topological methods are paired with Wasserstein distance to characterize similarities between molecules and are further integrated with a variety of machine learning algorithms, including k-nearest neighbors, ensemble of trees, and deep convolutional neural networks, to manifest their descriptive and predictive powers for protein-ligand binding analysis and virtual screening of small molecules. Extensive numerical experiments involving 4,414 protein-ligand complexes from the PDBBind database and 128,374 ligand-target and decoy-target pairs in the DUD database are performed to test respectively the scoring power and the discriminatory power of the proposed topological learning strategies. It is demonstrated that the present topological learning outperforms other existing methods in protein-ligand binding affinity prediction and ligand-decoy discrimination. PMID:29309403

Advancing Consumer Product Composition and Chemical Use Information to Facilitate Risk-Based Decision Making

EPA Science Inventory

This presentation describes EPA efforts to collect, model, and measure publically available consumer product data for use in exposure assessment. The development of the ORD Chemicals and Products database will be described, as will machine-learning based models for predicting ch...

University of Iowa at TREC 2008 Legal and Relevance Feedback Tracks

DTIC Science & Technology

2008-11-01

Fellbaum, C, [ed.]. Wordnet: An Electronic Lexical Database. Cambridge : MIT Press, 1998. [3] Salton , G. (ed) (1971), The SMART Retrieval System...learning tools and techniques. 2nd Edition. San Francisco : Morgan Kaufmann, 2005. [5] Platt, J . Machines using Sequential Minimal Optimization. [ed.] B

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

NASA Astrophysics Data System (ADS)

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.

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

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

Nishizuka, N.; Kubo, Y.; Den, M.

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 neutralmore » 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.« less

An integrative machine learning strategy for improved prediction of essential genes in Escherichia coli metabolism using flux-coupled features.

PubMed

Nandi, Sutanu; Subramanian, Abhishek; Sarkar, Ram Rup

2017-07-25

Prediction of essential genes helps to identify a minimal set of genes that are absolutely required for the appropriate functioning and survival of a cell. The available machine learning techniques for essential gene prediction have inherent problems, like imbalanced provision of training datasets, biased choice of the best model for a given balanced dataset, choice of a complex machine learning algorithm, and data-based automated selection of biologically relevant features for classification. Here, we propose a simple support vector machine-based learning strategy for the prediction of essential genes in Escherichia coli K-12 MG1655 metabolism that integrates a non-conventional combination of an appropriate sample balanced training set, a unique organism-specific genotype, phenotype attributes that characterize essential genes, and optimal parameters of the learning algorithm to generate the best machine learning model (the model with the highest accuracy among all the models trained for different sample training sets). For the first time, we also introduce flux-coupled metabolic subnetwork-based features for enhancing the classification performance. Our strategy proves to be superior as compared to previous SVM-based strategies in obtaining a biologically relevant classification of genes with high sensitivity and specificity. This methodology was also trained with datasets of other recent supervised classification techniques for essential gene classification and tested using reported test datasets. The testing accuracy was always high as compared to the known techniques, proving that our method outperforms known methods. Observations from our study indicate that essential genes are conserved among homologous bacterial species, demonstrate high codon usage bias, GC content and gene expression, and predominantly possess a tendency to form physiological flux modules in metabolism.

Automated discrimination of dementia spectrum disorders using extreme learning machine and structural T1 MRI features.

PubMed

Jongin Kim; Boreom Lee

2017-07-01

The classification of neuroimaging data for the diagnosis of Alzheimer's Disease (AD) is one of the main research goals of the neuroscience and clinical fields. In this study, we performed extreme learning machine (ELM) classifier to discriminate the AD, mild cognitive impairment (MCI) from normal control (NC). We compared the performance of ELM with that of a linear kernel support vector machine (SVM) for 718 structural MRI images from Alzheimer's Disease Neuroimaging Initiative (ADNI) database. The data consisted of normal control, MCI converter (MCI-C), MCI non-converter (MCI-NC), and AD. We employed SVM-based recursive feature elimination (RFE-SVM) algorithm to find the optimal subset of features. In this study, we found that the RFE-SVM feature selection approach in combination with ELM shows the superior classification accuracy to that of linear kernel SVM for structural T1 MRI data.

Development of a classification method for a crack on a pavement surface images using machine learning

NASA Astrophysics Data System (ADS)

Hizukuri, Akiyoshi; Nagata, Takeshi

2017-03-01

The purpose of this study is to develop a classification method for a crack on a pavement surface image using machine learning to reduce a maintenance fee. Our database consists of 3500 pavement surface images. This includes 800 crack and 2700 normal pavement surface images. The pavement surface images first are decomposed into several sub-images using a discrete wavelet transform (DWT) decomposition. We then calculate the wavelet sub-band histogram from each several sub-images at each level. The support vector machine (SVM) with computed wavelet sub-band histogram is employed for distinguishing between a crack and normal pavement surface images. The accuracies of the proposed classification method are 85.3% for crack and 84.4% for normal pavement images. The proposed classification method achieved high performance. Therefore, the proposed method would be useful in maintenance inspection.

Automatic classification of protein structures using physicochemical parameters.

PubMed

Mohan, Abhilash; Rao, M Divya; Sunderrajan, Shruthi; Pennathur, Gautam

2014-09-01

Protein classification is the first step to functional annotation; SCOP and Pfam databases are currently the most relevant protein classification schemes. However, the disproportion in the number of three dimensional (3D) protein structures generated versus their classification into relevant superfamilies/families emphasizes the need for automated classification schemes. Predicting function of novel proteins based on sequence information alone has proven to be a major challenge. The present study focuses on the use of physicochemical parameters in conjunction with machine learning algorithms (Naive Bayes, Decision Trees, Random Forest and Support Vector Machines) to classify proteins into their respective SCOP superfamily/Pfam family, using sequence derived information. Spectrophores™, a 1D descriptor of the 3D molecular field surrounding a structure was used as a benchmark to compare the performance of the physicochemical parameters. The machine learning algorithms were modified to select features based on information gain for each SCOP superfamily/Pfam family. The effect of combining physicochemical parameters and spectrophores on classification accuracy (CA) was studied. Machine learning algorithms trained with the physicochemical parameters consistently classified SCOP superfamilies and Pfam families with a classification accuracy above 90%, while spectrophores performed with a CA of around 85%. Feature selection improved classification accuracy for both physicochemical parameters and spectrophores based machine learning algorithms. Combining both attributes resulted in a marginal loss of performance. Physicochemical parameters were able to classify proteins from both schemes with classification accuracy ranging from 90-96%. These results suggest the usefulness of this method in classifying proteins from amino acid sequences.

Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization.

PubMed

Podlewska, Sabina; Czarnecki, Wojciech M; Kafel, Rafał; Bojarski, Andrzej J

2017-02-27

The growing computational abilities of various tools that are applied in the broadly understood field of computer-aided drug design have led to the extreme popularity of virtual screening in the search for new biologically active compounds. Most often, the source of such molecules consists of commercially available compound databases, but they can also be searched for within the libraries of structures generated in silico from existing ligands. Various computational combinatorial approaches are based solely on the chemical structure of compounds, using different types of substitutions for new molecules formation. In this study, the starting point for combinatorial library generation was the fingerprint referring to the optimal substructural composition in terms of the activity toward a considered target, which was obtained using a machine learning-based optimization procedure. The systematic enumeration of all possible connections between preferred substructures resulted in the formation of target-focused libraries of new potential ligands. The compounds were initially assessed by machine learning methods using a hashed fingerprint to represent molecules; the distribution of their physicochemical properties was also investigated, as well as their synthetic accessibility. The examination of various fingerprints and machine learning algorithms indicated that the Klekota-Roth fingerprint and support vector machine were an optimal combination for such experiments. This study was performed for 8 protein targets, and the obtained compound sets and their characterization are publically available at http://skandal.if-pan.krakow.pl/comb_lib/ .

Virtual Manufacturing Techniques Designed and Applied to Manufacturing Activities in the Manufacturing Integration and Technology Branch

NASA Technical Reports Server (NTRS)

Shearrow, Charles A.

1999-01-01

One of the identified goals of EM3 is to implement virtual manufacturing by the time the year 2000 has ended. To realize this goal of a true virtual manufacturing enterprise the initial development of a machinability database and the infrastructure must be completed. This will consist of the containment of the existing EM-NET problems and developing machine, tooling, and common materials databases. To integrate the virtual manufacturing enterprise with normal day to day operations the development of a parallel virtual manufacturing machinability database, virtual manufacturing database, virtual manufacturing paradigm, implementation/integration procedure, and testable verification models must be constructed. Common and virtual machinability databases will include the four distinct areas of machine tools, available tooling, common machine tool loads, and a materials database. The machine tools database will include the machine envelope, special machine attachments, tooling capacity, location within NASA-JSC or with a contractor, and availability/scheduling. The tooling database will include available standard tooling, custom in-house tooling, tool properties, and availability. The common materials database will include materials thickness ranges, strengths, types, and their availability. The virtual manufacturing databases will consist of virtual machines and virtual tooling directly related to the common and machinability databases. The items to be completed are the design and construction of the machinability databases, virtual manufacturing paradigm for NASA-JSC, implementation timeline, VNC model of one bridge mill and troubleshoot existing software and hardware problems with EN4NET. The final step of this virtual manufacturing project will be to integrate other production sites into the databases bringing JSC's EM3 into a position of becoming a clearing house for NASA's digital manufacturing needs creating a true virtual manufacturing enterprise.

Retrieving Tract Variables From Acoustics: A Comparison of Different Machine Learning Strategies.

PubMed

Mitra, Vikramjit; Nam, Hosung; Espy-Wilson, Carol Y; Saltzman, Elliot; Goldstein, Louis

2010-09-13

Many different studies have claimed that articulatory information can be used to improve the performance of automatic speech recognition systems. Unfortunately, such articulatory information is not readily available in typical speaker-listener situations. Consequently, such information has to be estimated from the acoustic signal in a process which is usually termed "speech-inversion." This study aims to propose and compare various machine learning strategies for speech inversion: Trajectory mixture density networks (TMDNs), feedforward artificial neural networks (FF-ANN), support vector regression (SVR), autoregressive artificial neural network (AR-ANN), and distal supervised learning (DSL). Further, using a database generated by the Haskins Laboratories speech production model, we test the claim that information regarding constrictions produced by the distinct organs of the vocal tract (vocal tract variables) is superior to flesh-point information (articulatory pellet trajectories) for the inversion process.

Machine learning for outcome prediction of acute ischemic stroke post intra-arterial therapy.

PubMed

Asadi, Hamed; Dowling, Richard; Yan, Bernard; Mitchell, Peter

2014-01-01

Stroke is a major cause of death and disability. Accurately predicting stroke outcome from a set of predictive variables may identify high-risk patients and guide treatment approaches, leading to decreased morbidity. Logistic regression models allow for the identification and validation of predictive variables. However, advanced machine learning algorithms offer an alternative, in particular, for large-scale multi-institutional data, with the advantage of easily incorporating newly available data to improve prediction performance. Our aim was to design and compare different machine learning methods, capable of predicting the outcome of endovascular intervention in acute anterior circulation ischaemic stroke. We conducted a retrospective study of a prospectively collected database of acute ischaemic stroke treated by endovascular intervention. Using SPSS®, MATLAB®, and Rapidminer®, classical statistics as well as artificial neural network and support vector algorithms were applied to design a supervised machine capable of classifying these predictors into potential good and poor outcomes. These algorithms were trained, validated and tested using randomly divided data. We included 107 consecutive acute anterior circulation ischaemic stroke patients treated by endovascular technique. Sixty-six were male and the mean age of 65.3. All the available demographic, procedural and clinical factors were included into the models. The final confusion matrix of the neural network, demonstrated an overall congruency of ∼ 80% between the target and output classes, with favourable receiving operative characteristics. However, after optimisation, the support vector machine had a relatively better performance, with a root mean squared error of 2.064 (SD: ± 0.408). We showed promising accuracy of outcome prediction, using supervised machine learning algorithms, with potential for incorporation of larger multicenter datasets, likely further improving prediction. Finally, we propose that a robust machine learning system can potentially optimise the selection process for endovascular versus medical treatment in the management of acute stroke.

Leveraging knowledge engineering and machine learning for microbial bio-manufacturing.

PubMed

Oyetunde, Tolutola; Bao, Forrest Sheng; Chen, Jiung-Wen; Martin, Hector Garcia; Tang, Yinjie J

2018-05-03

Genome scale modeling (GSM) predicts the performance of microbial workhorses and helps identify beneficial gene targets. GSM integrated with intracellular flux dynamics, omics, and thermodynamics have shown remarkable progress in both elucidating complex cellular phenomena and computational strain design (CSD). Nonetheless, these models still show high uncertainty due to a poor understanding of innate pathway regulations, metabolic burdens, and other factors (such as stress tolerance and metabolite channeling). Besides, the engineered hosts may have genetic mutations or non-genetic variations in bioreactor conditions and thus CSD rarely foresees fermentation rate and titer. Metabolic models play important role in design-build-test-learn cycles for strain improvement, and machine learning (ML) may provide a viable complementary approach for driving strain design and deciphering cellular processes. In order to develop quality ML models, knowledge engineering leverages and standardizes the wealth of information in literature (e.g., genomic/phenomic data, synthetic biology strategies, and bioprocess variables). Data driven frameworks can offer new constraints for mechanistic models to describe cellular regulations, to design pathways, to search gene targets, and to estimate fermentation titer/rate/yield under specified growth conditions (e.g., mixing, nutrients, and O 2 ). This review highlights the scope of information collections, database constructions, and machine learning techniques (such as deep learning and transfer learning), which may facilitate "Learn and Design" for strain development. Copyright © 2018. Published by Elsevier Inc.

ProDiGe: Prioritization Of Disease Genes with multitask machine learning from positive and unlabeled examples

PubMed Central

2011-01-01

Background Elucidating the genetic basis of human diseases is a central goal of genetics and molecular biology. While traditional linkage analysis and modern high-throughput techniques often provide long lists of tens or hundreds of disease gene candidates, the identification of disease genes among the candidates remains time-consuming and expensive. Efficient computational methods are therefore needed to prioritize genes within the list of candidates, by exploiting the wealth of information available about the genes in various databases. Results We propose ProDiGe, a novel algorithm for Prioritization of Disease Genes. ProDiGe implements a novel machine learning strategy based on learning from positive and unlabeled examples, which allows to integrate various sources of information about the genes, to share information about known disease genes across diseases, and to perform genome-wide searches for new disease genes. Experiments on real data show that ProDiGe outperforms state-of-the-art methods for the prioritization of genes in human diseases. Conclusions ProDiGe implements a new machine learning paradigm for gene prioritization, which could help the identification of new disease genes. It is freely available at http://cbio.ensmp.fr/prodige. PMID:21977986

Robust Machine Learning Variable Importance Analyses of Medical Conditions for Health Care Spending.

PubMed

Rose, Sherri

2018-03-11

To propose nonparametric double robust machine learning in variable importance analyses of medical conditions for health spending. 2011-2012 Truven MarketScan database. I evaluate how much more, on average, commercially insured enrollees with each of 26 of the most prevalent medical conditions cost per year after controlling for demographics and other medical conditions. This is accomplished within the nonparametric targeted learning framework, which incorporates ensemble machine learning. Previous literature studying the impact of medical conditions on health care spending has almost exclusively focused on parametric risk adjustment; thus, I compare my approach to parametric regression. My results demonstrate that multiple sclerosis, congestive heart failure, severe cancers, major depression and bipolar disorders, and chronic hepatitis are the most costly medical conditions on average per individual. These findings differed from those obtained using parametric regression. The literature may be underestimating the spending contributions of several medical conditions, which is a potentially critical oversight. If current methods are not capturing the true incremental effect of medical conditions, undesirable incentives related to care may remain. Further work is needed to directly study these issues in the context of federal formulas. © Health Research and Educational Trust.

Comparison of Nine Statistical Model Based Warfarin Pharmacogenetic Dosing Algorithms Using the Racially Diverse International Warfarin Pharmacogenetic Consortium Cohort Database

PubMed Central

Liu, Rong; Li, Xi; Zhang, Wei; Zhou, Hong-Hao

2015-01-01

Objective Multiple linear regression (MLR) and machine learning techniques in pharmacogenetic algorithm-based warfarin dosing have been reported. However, performances of these algorithms in racially diverse group have never been objectively evaluated and compared. In this literature-based study, we compared the performances of eight machine learning techniques with those of MLR in a large, racially-diverse cohort. Methods 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 in warfarin dose algorithms in a cohort from the International Warfarin Pharmacogenetics Consortium database. Covariates obtained by stepwise regression from 80% of randomly selected patients were used to develop algorithms. To compare the performances of these algorithms, the mean percentage of patients whose predicted dose fell within 20% of the actual dose (mean percentage within 20%) and the mean absolute error (MAE) were calculated in the remaining 20% of patients. The performances of these techniques in different races, as well as the dose ranges of therapeutic warfarin were compared. Robust results were obtained after 100 rounds of resampling. Results BART, MARS and SVR were statistically indistinguishable and significantly out performed all the other approaches in the whole cohort (MAE: 8.84–8.96 mg/week, mean percentage within 20%: 45.88%–46.35%). In the White population, MARS and BART showed higher mean percentage within 20% and lower mean MAE than those of MLR (all p values < 0.05). In the Asian population, SVR, BART, MARS and LAR performed the same as MLR. MLR and LAR optimally performed among the Black population. When patients were grouped in terms of warfarin dose range, all machine learning techniques except ANN and LAR showed significantly higher mean percentage within 20%, and lower MAE (all p values < 0.05) than MLR in the low- and high- dose ranges. Conclusion Overall, machine learning-based techniques, BART, MARS and SVR performed superior than MLR in warfarin pharmacogenetic dosing. Differences of algorithms’ performances exist among the races. Moreover, machine learning-based algorithms tended to perform better in the low- and high- dose ranges than MLR. PMID:26305568

Brainstorming: weighted voting prediction of inhibitors for protein targets.

PubMed

Plewczynski, Dariusz

2011-09-01

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

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

PubMed Central

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

2018-01-01

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

Comparative analysis of expert and machine-learning methods for classification of body cavity effusions in companion animals.

PubMed

Hotz, Christine S; Templeton, Steven J; Christopher, Mary M

2005-03-01

A rule-based expert system using CLIPS programming language was created to classify body cavity effusions as transudates, modified transudates, exudates, chylous, and hemorrhagic effusions. The diagnostic accuracy of the rule-based system was compared with that produced by 2 machine-learning methods: Rosetta, a rough sets algorithm and RIPPER, a rule-induction method. Results of 508 body cavity fluid analyses (canine, feline, equine) obtained from the University of California-Davis Veterinary Medical Teaching Hospital computerized patient database were used to test CLIPS and to test and train RIPPER and Rosetta. The CLIPS system, using 17 rules, achieved an accuracy of 93.5% compared with pathologist consensus diagnoses. Rosetta accurately classified 91% of effusions by using 5,479 rules. RIPPER achieved the greatest accuracy (95.5%) using only 10 rules. When the original rules of the CLIPS application were replaced with those of RIPPER, the accuracy rates were identical. These results suggest that both rule-based expert systems and machine-learning methods hold promise for the preliminary classification of body fluids in the clinical laboratory.

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

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

Machine learning-, rule- and pharmacophore-based classification on the inhibition of P-glycoprotein and NorA.

PubMed

Ngo, T-D; Tran, T-D; Le, M-T; Thai, K-M

2016-09-01

The efflux pumps P-glycoprotein (P-gp) in humans and NorA in Staphylococcus aureus are of great interest for medicinal chemists because of their important roles in multidrug resistance (MDR). The high polyspecificity as well as the unavailability of high-resolution X-ray crystal structures of these transmembrane proteins lead us to combining ligand-based approaches, which in the case of this study were machine learning, perceptual mapping and pharmacophore modelling. For P-gp inhibitory activity, individual models were developed using different machine learning algorithms and subsequently combined into an ensemble model which showed a good discrimination between inhibitors and noninhibitors (acctrain-diverse = 84%; accinternal-test = 92% and accexternal-test = 100%). For ligand promiscuity between P-gp and NorA, perceptual maps and pharmacophore models were generated for the detection of rules and features. Based on these in silico tools, hit compounds for reversing MDR were discovered from the in-house and DrugBank databases through virtual screening in an attempt to restore drug sensitivity in cancer cells and bacteria.

Combining Benford's Law and machine learning to detect money laundering. An actual Spanish court case.

PubMed

Badal-Valero, Elena; Alvarez-Jareño, José A; Pavía, Jose M

2018-01-01

This paper is based on the analysis of the database of operations from a macro-case on money laundering orchestrated between a core company and a group of its suppliers, 26 of which had already been identified by the police as fraudulent companies. In the face of a well-founded suspicion that more companies have perpetrated criminal acts and in order to make better use of what are very limited police resources, we aim to construct a tool to detect money laundering criminals. We combine Benford's Law and machine learning algorithms (logistic regression, decision trees, neural networks, and random forests) to find patterns of money laundering criminals in the context of a real Spanish court case. After mapping each supplier's set of accounting data into a 21-dimensional space using Benford's Law and applying machine learning algorithms, additional companies that could merit further scrutiny are flagged up. A new tool to detect money laundering criminals is proposed in this paper. The tool is tested in the context of a real case. Copyright © 2017 Elsevier B.V. All rights reserved.

Subgrid-scale scalar flux modelling based on optimal estimation theory and machine-learning procedures

NASA Astrophysics Data System (ADS)

Vollant, A.; Balarac, G.; Corre, C.

2017-09-01

New procedures are explored for the development of models in the context of large eddy simulation (LES) of a passive scalar. They rely on the combination of the optimal estimator theory with machine-learning algorithms. The concept of optimal estimator allows to identify the most accurate set of parameters to be used when deriving a model. The model itself can then be defined by training an artificial neural network (ANN) on a database derived from the filtering of direct numerical simulation (DNS) results. This procedure leads to a subgrid scale model displaying good structural performance, which allows to perform LESs very close to the filtered DNS results. However, this first procedure does not control the functional performance so that the model can fail when the flow configuration differs from the training database. Another procedure is then proposed, where the model functional form is imposed and the ANN used only to define the model coefficients. The training step is a bi-objective optimisation in order to control both structural and functional performances. The model derived from this second procedure proves to be more robust. It also provides stable LESs for a turbulent plane jet flow configuration very far from the training database but over-estimates the mixing process in that case.

Simplify and Accelerate Earth Science Data Preparation to Systemize Machine Learning

NASA Astrophysics Data System (ADS)

Kuo, K. S.; Rilee, M. L.; Oloso, A.

2017-12-01

Data preparation is the most laborious and time-consuming part of machine learning. The effort required is usually more than linearly proportional to the varieties of data used. From a system science viewpoint, useful machine learning in Earth Science likely involves diverse datasets. Thus, simplifying data preparation to ease the systemization of machine learning in Earth Science is of immense value. The technologies we have developed and applied to an array database, SciDB, are explicitly designed for the purpose, including the innovative SpatioTemporal Adaptive-Resolution Encoding (STARE), a remapping tool suite, and an efficient implementation of connected component labeling (CCL). STARE serves as a universal Earth data representation that homogenizes data varieties and facilitates spatiotemporal data placement as well as alignment, to maximize query performance on massively parallel, distributed computing resources for a major class of analysis. Moreover, it converts spatiotemporal set operations into fast and efficient integer interval operations, supporting in turn moving-object analysis. Integrative analysis requires more than overlapping spatiotemporal sets. For example, meaningful comparison of temperature fields obtained with different means and resolutions requires their transformation to the same grid. Therefore, remapping has been implemented to enable integrative analysis. Finally, Earth Science investigations are generally studies of phenomena, e.g. tropical cyclone, atmospheric river, and blizzard, through their associated events, like hurricanes Katrina and Sandy. Unfortunately, except for a few high-impact phenomena, comprehensive episodic records are lacking. Consequently, we have implemented an efficient CCL tracking algorithm, enabling event-based investigations within climate data records beyond mere event presence. In summary, we have implemented the core unifying capabilities on a Big Data technology to enable systematic machine learning in Earth Science.

Machine vision based quality inspection of flat glass products

NASA Astrophysics Data System (ADS)

Zauner, G.; Schagerl, M.

2014-03-01

This application paper presents a machine vision solution for the quality inspection of flat glass products. A contact image sensor (CIS) is used to generate digital images of the glass surfaces. The presented machine vision based quality inspection at the end of the production line aims to classify five different glass defect types. The defect images are usually characterized by very little `image structure', i.e. homogeneous regions without distinct image texture. Additionally, these defect images usually consist of only a few pixels. At the same time the appearance of certain defect classes can be very diverse (e.g. water drops). We used simple state-of-the-art image features like histogram-based features (std. deviation, curtosis, skewness), geometric features (form factor/elongation, eccentricity, Hu-moments) and texture features (grey level run length matrix, co-occurrence matrix) to extract defect information. The main contribution of this work now lies in the systematic evaluation of various machine learning algorithms to identify appropriate classification approaches for this specific class of images. In this way, the following machine learning algorithms were compared: decision tree (J48), random forest, JRip rules, naive Bayes, Support Vector Machine (multi class), neural network (multilayer perceptron) and k-Nearest Neighbour. We used a representative image database of 2300 defect images and applied cross validation for evaluation purposes.

Projected regression method for solving Fredholm integral equations arising in the analytic continuation problem of quantum physics

NASA Astrophysics Data System (ADS)

Arsenault, Louis-François; Neuberg, Richard; Hannah, Lauren A.; Millis, Andrew J.

2017-11-01

We present a supervised machine learning approach to the inversion of Fredholm integrals of the first kind as they arise, for example, in the analytic continuation problem of quantum many-body physics. The approach provides a natural regularization for the ill-conditioned inverse of the Fredholm kernel, as well as an efficient and stable treatment of constraints. The key observation is that the stability of the forward problem permits the construction of a large database of outputs for physically meaningful inputs. Applying machine learning to this database generates a regression function of controlled complexity, which returns approximate solutions for previously unseen inputs; the approximate solutions are then projected onto the subspace of functions satisfying relevant constraints. Under standard error metrics the method performs as well or better than the Maximum Entropy method for low input noise and is substantially more robust to increased input noise. We suggest that the methodology will be similarly effective for other problems involving a formally ill-conditioned inversion of an integral operator, provided that the forward problem can be efficiently solved.

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

Webb-Robertson, Bobbie-Jo M.

Accurate identification of peptides is a current challenge in mass spectrometry (MS) based proteomics. The standard approach uses a search routine to compare tandem mass spectra to a database of peptides associated with the target organism. These database search routines yield multiple metrics associated with the quality of the mapping of the experimental spectrum to the theoretical spectrum of a peptide. The structure of these results make separating correct from false identifications difficult and has created a false identification problem. Statistical confidence scores are an approach to battle this false positive problem that has led to significant improvements in peptidemore » identification. We have shown that machine learning, specifically support vector machine (SVM), is an effective approach to separating true peptide identifications from false ones. The SVM-based peptide statistical scoring method transforms a peptide into a vector representation based on database search metrics to train and validate the SVM. In practice, following the database search routine, a peptides is denoted in its vector representation and the SVM generates a single statistical score that is then used to classify presence or absence in the sample« less

A computational visual saliency model based on statistics and machine learning.

PubMed

Lin, Ru-Je; Lin, Wei-Song

2014-08-01

Identifying the type of stimuli that attracts human visual attention has been an appealing topic for scientists for many years. In particular, marking the salient regions in images is useful for both psychologists and many computer vision applications. In this paper, we propose a computational approach for producing saliency maps using statistics and machine learning methods. Based on four assumptions, three properties (Feature-Prior, Position-Prior, and Feature-Distribution) can be derived and combined by a simple intersection operation to obtain a saliency map. These properties are implemented by a similarity computation, support vector regression (SVR) technique, statistical analysis of training samples, and information theory using low-level features. This technique is able to learn the preferences of human visual behavior while simultaneously considering feature uniqueness. Experimental results show that our approach performs better in predicting human visual attention regions than 12 other models in two test databases. © 2014 ARVO.

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

PubMed

Yugandhar, K; Gromiha, M Michael

2014-09-01

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

Data Mining Research with the LSST

NASA Astrophysics Data System (ADS)

Borne, Kirk D.; Strauss, M. A.; Tyson, J. A.

2007-12-01

The LSST catalog database will exceed 10 petabytes, comprising several hundred attributes for 5 billion galaxies, 10 billion stars, and over 1 billion variable sources (optical variables, transients, or moving objects), extracted from over 20,000 square degrees of deep imaging in 5 passbands with thorough time domain coverage: 1000 visits over the 10-year LSST survey lifetime. The opportunities are enormous for novel scientific discoveries within this rich time-domain ultra-deep multi-band survey database. Data Mining, Machine Learning, and Knowledge Discovery research opportunities with the LSST are now under study, with a potential for new collaborations to develop to contribute to these investigations. We will describe features of the LSST science database that are amenable to scientific data mining, object classification, outlier identification, anomaly detection, image quality assurance, and survey science validation. We also give some illustrative examples of current scientific data mining research in astronomy, and point out where new research is needed. In particular, the data mining research community will need to address several issues in the coming years as we prepare for the LSST data deluge. The data mining research agenda includes: scalability (at petabytes scales) of existing machine learning and data mining algorithms; development of grid-enabled parallel data mining algorithms; designing a robust system for brokering classifications from the LSST event pipeline (which may produce 10,000 or more event alerts per night); multi-resolution methods for exploration of petascale databases; visual data mining algorithms for visual exploration of the data; indexing of multi-attribute multi-dimensional astronomical databases (beyond RA-Dec spatial indexing) for rapid querying of petabyte databases; and more. Finally, we will identify opportunities for synergistic collaboration between the data mining research group and the LSST Data Management and Science Collaboration teams.

Detection of Pathological Voice Using Cepstrum Vectors: A Deep Learning Approach.

PubMed

Fang, Shih-Hau; Tsao, Yu; Hsiao, Min-Jing; Chen, Ji-Ying; Lai, Ying-Hui; Lin, Feng-Chuan; Wang, Chi-Te

2018-03-19

Computerized detection of voice disorders has attracted considerable academic and clinical interest in the hope of providing an effective screening method for voice diseases before endoscopic confirmation. This study proposes a deep-learning-based approach to detect pathological voice and examines its performance and utility compared with other automatic classification algorithms. This study retrospectively collected 60 normal voice samples and 402 pathological voice samples of 8 common clinical voice disorders in a voice clinic of a tertiary teaching hospital. We extracted Mel frequency cepstral coefficients from 3-second samples of a sustained vowel. The performances of three machine learning algorithms, namely, deep neural network (DNN), support vector machine, and Gaussian mixture model, were evaluated based on a fivefold cross-validation. Collective cases from the voice disorder database of MEEI (Massachusetts Eye and Ear Infirmary) were used to verify the performance of the classification mechanisms. The experimental results demonstrated that DNN outperforms Gaussian mixture model and support vector machine. Its accuracy in detecting voice pathologies reached 94.26% and 90.52% in male and female subjects, based on three representative Mel frequency cepstral coefficient features. When applied to the MEEI database for validation, the DNN also achieved a higher accuracy (99.32%) than the other two classification algorithms. By stacking several layers of neurons with optimized weights, the proposed DNN algorithm can fully utilize the acoustic features and efficiently differentiate between normal and pathological voice samples. Based on this pilot study, future research may proceed to explore more application of DNN from laboratory and clinical perspectives. Copyright © 2018 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Graph Learning in Knowledge Bases

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

Goldberg, Sean; Wang, Daisy Zhe

The amount of text data has been growing exponentially in recent years, giving rise to automatic information extraction methods that store text annotations in a database. The current state-of-theart structured prediction methods, however, are likely to contain errors and it’s important to be able to manage the overall uncertainty of the database. On the other hand, the advent of crowdsourcing has enabled humans to aid machine algorithms at scale. As part of this project we introduced pi-CASTLE , a system that optimizes and integrates human and machine computing as applied to a complex structured prediction problem involving conditional random fieldsmore » (CRFs). We proposed strategies grounded in information theory to select a token subset, formulate questions for the crowd to label, and integrate these labelings back into the database using a method of constrained inference. On both a text segmentation task over academic citations and a named entity recognition task over tweets we showed an order of magnitude improvement in accuracy gain over baseline methods.« less

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

PubMed

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 (PM 2.5 and PM 10 ), 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.

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

Langan, Roisin T.; Archibald, Richard K.; Lamberti, Vincent

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained bymore » replacing missing information with constant values.« less

Dictionary learning-based CT detection of pulmonary nodules

NASA Astrophysics Data System (ADS)

Wu, Panpan; Xia, Kewen; Zhang, Yanbo; Qian, Xiaohua; Wang, Ge; Yu, Hengyong

2016-10-01

Segmentation of lung features is one of the most important steps for computer-aided detection (CAD) of pulmonary nodules with computed tomography (CT). However, irregular shapes, complicated anatomical background and poor pulmonary nodule contrast make CAD a very challenging problem. Here, we propose a novel scheme for feature extraction and classification of pulmonary nodules through dictionary learning from training CT images, which does not require accurately segmented pulmonary nodules. Specifically, two classification-oriented dictionaries and one background dictionary are learnt to solve a two-category problem. In terms of the classification-oriented dictionaries, we calculate sparse coefficient matrices to extract intrinsic features for pulmonary nodule classification. The support vector machine (SVM) classifier is then designed to optimize the performance. Our proposed methodology is evaluated with the lung image database consortium and image database resource initiative (LIDC-IDRI) database, and the results demonstrate that the proposed strategy is promising.

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

PubMed Central

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

2014-01-01

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

A similarity learning approach to content-based image retrieval: application to digital mammography.

PubMed

El-Naqa, Issam; Yang, Yongyi; Galatsanos, Nikolas P; Nishikawa, Robert M; Wernick, Miles N

2004-10-01

In this paper, we describe an approach to content-based retrieval of medical images from a database, and provide a preliminary demonstration of our approach as applied to retrieval of digital mammograms. Content-based image retrieval (CBIR) refers to the retrieval of images from a database using information derived from the images themselves, rather than solely from accompanying text indices. In the medical-imaging context, the ultimate aim of CBIR is to provide radiologists with a diagnostic aid in the form of a display of relevant past cases, along with proven pathology and other suitable information. CBIR may also be useful as a training tool for medical students and residents. The goal of information retrieval is to recall from a database information that is relevant to the user's query. The most challenging aspect of CBIR is the definition of relevance (similarity), which is used to guide the retrieval machine. In this paper, we pursue a new approach, in which similarity is learned from training examples provided by human observers. Specifically, we explore the use of neural networks and support vector machines to predict the user's notion of similarity. Within this framework we propose using a hierarchal learning approach, which consists of a cascade of a binary classifier and a regression module to optimize retrieval effectiveness and efficiency. We also explore how to incorporate online human interaction to achieve relevance feedback in this learning framework. Our experiments are based on a database consisting of 76 mammograms, all of which contain clustered microcalcifications (MCs). Our goal is to retrieve mammogram images containing similar MC clusters to that in a query. The performance of the retrieval system is evaluated using precision-recall curves computed using a cross-validation procedure. Our experimental results demonstrate that: 1) the learning framework can accurately predict the perceptual similarity reported by human observers, thereby serving as a basis for CBIR; 2) the learning-based framework can significantly outperform a simple distance-based similarity metric; 3) the use of the hierarchical two-stage network can improve retrieval performance; and 4) relevance feedback can be effectively incorporated into this learning framework to achieve improvement in retrieval precision based on online interaction with users; and 5) the retrieved images by the network can have predicting value for the disease condition of the query.

A novel approach for detection and classification of mammographic microcalcifications using wavelet analysis and extreme learning machine.

PubMed

Malar, E; Kandaswamy, A; Chakravarthy, D; Giri Dharan, A

2012-09-01

The objective of this paper is to reveal the effectiveness of wavelet based tissue texture analysis for microcalcification detection in digitized mammograms using Extreme Learning Machine (ELM). Microcalcifications are tiny deposits of calcium in the breast tissue which are potential indicators for early detection of breast cancer. The dense nature of the breast tissue and the poor contrast of the mammogram image prohibit the effectiveness in identifying microcalcifications. Hence, a new approach to discriminate the microcalcifications from the normal tissue is done using wavelet features and is compared with different feature vectors extracted using Gray Level Spatial Dependence Matrix (GLSDM) and Gabor filter based techniques. A total of 120 Region of Interests (ROIs) extracted from 55 mammogram images of mini-Mias database, including normal and microcalcification images are used in the current research. The network is trained with the above mentioned features and the results denote that ELM produces relatively better classification accuracy (94%) with a significant reduction in training time than the other artificial neural networks like Bayesnet classifier, Naivebayes classifier, and Support Vector Machine. ELM also avoids problems like local minima, improper learning rate, and over fitting. Copyright © 2012 Elsevier Ltd. All rights reserved.

Prediction of protein-protein interactions from amino acid sequences with ensemble extreme learning machines and principal component analysis.

PubMed

You, Zhu-Hong; Lei, Ying-Ke; Zhu, Lin; Xia, Junfeng; Wang, Bing

2013-01-01

Protein-protein interactions (PPIs) play crucial roles in the execution of various cellular processes and form the basis of biological mechanisms. Although large amount of PPIs data for different species has been generated by high-throughput experimental techniques, current PPI pairs obtained with experimental methods cover only a fraction of the complete PPI networks, and further, the experimental methods for identifying PPIs are both time-consuming and expensive. Hence, it is urgent and challenging to develop automated computational methods to efficiently and accurately predict PPIs. We present here a novel hierarchical PCA-EELM (principal component analysis-ensemble extreme learning machine) model to predict protein-protein interactions only using the information of protein sequences. In the proposed method, 11188 protein pairs retrieved from the DIP database were encoded into feature vectors by using four kinds of protein sequences information. Focusing on dimension reduction, an effective feature extraction method PCA was then employed to construct the most discriminative new feature set. Finally, multiple extreme learning machines were trained and then aggregated into a consensus classifier by majority voting. The ensembling of extreme learning machine removes the dependence of results on initial random weights and improves the prediction performance. When performed on the PPI data of Saccharomyces cerevisiae, the proposed method achieved 87.00% prediction accuracy with 86.15% sensitivity at the precision of 87.59%. Extensive experiments are performed to compare our method with state-of-the-art techniques Support Vector Machine (SVM). Experimental results demonstrate that proposed PCA-EELM outperforms the SVM method by 5-fold cross-validation. Besides, PCA-EELM performs faster than PCA-SVM based method. Consequently, the proposed approach can be considered as a new promising and powerful tools for predicting PPI with excellent performance and less time.

Deep learning of mutation-gene-drug relations from the literature.

PubMed

Lee, Kyubum; Kim, Byounggun; Choi, Yonghwa; Kim, Sunkyu; Shin, Wonho; Lee, Sunwon; Park, Sungjoon; Kim, Seongsoon; Tan, Aik Choon; Kang, Jaewoo

2018-01-25

Molecular biomarkers that can predict drug efficacy in cancer patients are crucial components for the advancement of precision medicine. However, identifying these molecular biomarkers remains a laborious and challenging task. Next-generation sequencing of patients and preclinical models have increasingly led to the identification of novel gene-mutation-drug relations, and these results have been reported and published in the scientific literature. Here, we present two new computational methods that utilize all the PubMed articles as domain specific background knowledge to assist in the extraction and curation of gene-mutation-drug relations from the literature. The first method uses the Biomedical Entity Search Tool (BEST) scoring results as some of the features to train the machine learning classifiers. The second method uses not only the BEST scoring results, but also word vectors in a deep convolutional neural network model that are constructed from and trained on numerous documents such as PubMed abstracts and Google News articles. Using the features obtained from both the BEST search engine scores and word vectors, we extract mutation-gene and mutation-drug relations from the literature using machine learning classifiers such as random forest and deep convolutional neural networks. Our methods achieved better results compared with the state-of-the-art methods. We used our proposed features in a simple machine learning model, and obtained F1-scores of 0.96 and 0.82 for mutation-gene and mutation-drug relation classification, respectively. We also developed a deep learning classification model using convolutional neural networks, BEST scores, and the word embeddings that are pre-trained on PubMed or Google News data. Using deep learning, the classification accuracy improved, and F1-scores of 0.96 and 0.86 were obtained for the mutation-gene and mutation-drug relations, respectively. We believe that our computational methods described in this research could be used as an important tool in identifying molecular biomarkers that predict drug responses in cancer patients. We also built a database of these mutation-gene-drug relations that were extracted from all the PubMed abstracts. We believe that our database can prove to be a valuable resource for precision medicine researchers.

Machine learning techniques for breast cancer computer aided diagnosis using different image modalities: A systematic review.

PubMed

Yassin, Nisreen I R; Omran, Shaimaa; El Houby, Enas M F; Allam, Hemat

2018-03-01

The high incidence of breast cancer in women has increased significantly in the recent years. Physician experience of diagnosing and detecting breast cancer can be assisted by using some computerized features extraction and classification algorithms. This paper presents the conduction and results of a systematic review (SR) that aims to investigate the state of the art regarding the computer aided diagnosis/detection (CAD) systems for breast cancer. The SR was conducted using a comprehensive selection of scientific databases as reference sources, allowing access to diverse publications in the field. The scientific databases used are Springer Link (SL), Science Direct (SD), IEEE Xplore Digital Library, and PubMed. Inclusion and exclusion criteria were defined and applied to each retrieved work to select those of interest. From 320 studies retrieved, 154 studies were included. However, the scope of this research is limited to scientific and academic works and excludes commercial interests. This survey provides a general analysis of the current status of CAD systems according to the used image modalities and the machine learning based classifiers. Potential research studies have been discussed to create a more objective and efficient CAD systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Mycofier: a new machine learning-based classifier for fungal ITS sequences.

PubMed

Delgado-Serrano, Luisa; Restrepo, Silvia; Bustos, Jose Ricardo; Zambrano, Maria Mercedes; Anzola, Juan Manuel

2016-08-11

The taxonomic and phylogenetic classification based on sequence analysis of the ITS1 genomic region has become a crucial component of fungal ecology and diversity studies. Nowadays, there is no accurate alignment-free classification tool for fungal ITS1 sequences for large environmental surveys. This study describes the development of a machine learning-based classifier for the taxonomical assignment of fungal ITS1 sequences at the genus level. A fungal ITS1 sequence database was built using curated data. Training and test sets were generated from it. A Naïve Bayesian classifier was built using features from the primary sequence with an accuracy of 87 % in the classification at the genus level. The final model was based on a Naïve Bayes algorithm using ITS1 sequences from 510 fungal genera. This classifier, denoted as Mycofier, provides similar classification accuracy compared to BLASTN, but the database used for the classification contains curated data and the tool, independent of alignment, is more efficient and contributes to the field, given the lack of an accurate classification tool for large data from fungal ITS1 sequences. The software and source code for Mycofier are freely available at https://github.com/ldelgado-serrano/mycofier.git .

Conformation-dependent restraints for polynucleotides: I. Clustering of the geometry of the phosphodiester group

PubMed Central

Kowiel, Marcin; Brzezinski, Dariusz; Jaskolski, Mariusz

2016-01-01

The refinement of macromolecular structures is usually aided by prior stereochemical knowledge in the form of geometrical restraints. Such restraints are also used for the flexible sugar-phosphate backbones of nucleic acids. However, recent highly accurate structural studies of DNA suggest that the phosphate bond angles may have inadequate description in the existing stereochemical dictionaries. In this paper, we analyze the bonding deformations of the phosphodiester groups in the Cambridge Structural Database, cluster the studied fragments into six conformation-related categories and propose a revised set of restraints for the O-P-O bond angles and distances. The proposed restraints have been positively validated against data from the Nucleic Acid Database and an ultrahigh-resolution Z-DNA structure in the Protein Data Bank. Additionally, the manual classification of PO4 geometry is compared with geometrical clusters automatically discovered by machine learning methods. The machine learning cluster analysis provides useful insights and a practical example for general applications of clustering algorithms for automatic discovery of hidden patterns of molecular geometry. Finally, we describe the implementation and application of a public-domain web server for automatic generation of the proposed restraints. PMID:27521371

Big data analytics for early detection of breast cancer based on machine learning

NASA Astrophysics Data System (ADS)

Ivanova, Desislava

2017-12-01

This paper presents the concept and the modern advances in personalized medicine that rely on technology and review the existing tools for early detection of breast cancer. The breast cancer types and distribution worldwide is discussed. It is spent time to explain the importance of identifying the normality and to specify the main classes in breast cancer, benign or malignant. The main purpose of the paper is to propose a conceptual model for early detection of breast cancer based on machine learning for processing and analysis of medical big dataand further knowledge discovery for personalized treatment. The proposed conceptual model is realized by using Naive Bayes classifier. The software is written in python programming language and for the experiments the Wisconsin breast cancer database is used. Finally, the experimental results are presented and discussed.

Retinal hemorrhage detection by rule-based and machine learning approach.

PubMed

Di Xiao; Shuang Yu; Vignarajan, Janardhan; Dong An; Mei-Ling Tay-Kearney; Kanagasingam, Yogi

2017-07-01

Robust detection of hemorrhages (HMs) in color fundus image is important in an automatic diabetic retinopathy grading system. Detection of the hemorrhages that are close to or connected with retinal blood vessels was found to be challenge. However, most methods didn't put research on it, even some of them mentioned this issue. In this paper, we proposed a novel hemorrhage detection method based on rule-based and machine learning methods. We focused on the improvement of detection of the hemorrhages that are close to or connected with retinal blood vessels, besides detecting the independent hemorrhage regions. A preliminary test for detecting HM presence was conducted on the images from two databases. We achieved sensitivity and specificity of 93.3% and 88% as well as 91.9% and 85.6% on the two datasets.

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

PubMed Central

Liu, Zhijian; Li, Hao; Cao, Guoqing

2017-01-01

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. PMID:28758941

Machine Learning Techniques for the Detection of Shockable Rhythms in Automated External Defibrillators

PubMed Central

Irusta, Unai; Morgado, Eduardo; Aramendi, Elisabete; Ayala, Unai; Wik, Lars; Kramer-Johansen, Jo; Eftestøl, Trygve; Alonso-Atienza, Felipe

2016-01-01

Early recognition of ventricular fibrillation (VF) and electrical therapy are key for the survival of out-of-hospital cardiac arrest (OHCA) patients treated with automated external defibrillators (AED). AED algorithms for VF-detection are customarily assessed using Holter recordings from public electrocardiogram (ECG) databases, which may be different from the ECG seen during OHCA events. This study evaluates VF-detection using data from both OHCA patients and public Holter recordings. ECG-segments of 4-s and 8-s duration were analyzed. For each segment 30 features were computed and fed to state of the art machine learning (ML) algorithms. ML-algorithms with built-in feature selection capabilities were used to determine the optimal feature subsets for both databases. Patient-wise bootstrap techniques were used to evaluate algorithm performance in terms of sensitivity (Se), specificity (Sp) and balanced error rate (BER). Performance was significantly better for public data with a mean Se of 96.6%, Sp of 98.8% and BER 2.2% compared to a mean Se of 94.7%, Sp of 96.5% and BER 4.4% for OHCA data. OHCA data required two times more features than the data from public databases for an accurate detection (6 vs 3). No significant differences in performance were found for different segment lengths, the BER differences were below 0.5-points in all cases. Our results show that VF-detection is more challenging for OHCA data than for data from public databases, and that accurate VF-detection is possible with segments as short as 4-s. PMID:27441719

Machine Learning Techniques for the Detection of Shockable Rhythms in Automated External Defibrillators.

PubMed

Figuera, Carlos; Irusta, Unai; Morgado, Eduardo; Aramendi, Elisabete; Ayala, Unai; Wik, Lars; Kramer-Johansen, Jo; Eftestøl, Trygve; Alonso-Atienza, Felipe

2016-01-01

Early recognition of ventricular fibrillation (VF) and electrical therapy are key for the survival of out-of-hospital cardiac arrest (OHCA) patients treated with automated external defibrillators (AED). AED algorithms for VF-detection are customarily assessed using Holter recordings from public electrocardiogram (ECG) databases, which may be different from the ECG seen during OHCA events. This study evaluates VF-detection using data from both OHCA patients and public Holter recordings. ECG-segments of 4-s and 8-s duration were analyzed. For each segment 30 features were computed and fed to state of the art machine learning (ML) algorithms. ML-algorithms with built-in feature selection capabilities were used to determine the optimal feature subsets for both databases. Patient-wise bootstrap techniques were used to evaluate algorithm performance in terms of sensitivity (Se), specificity (Sp) and balanced error rate (BER). Performance was significantly better for public data with a mean Se of 96.6%, Sp of 98.8% and BER 2.2% compared to a mean Se of 94.7%, Sp of 96.5% and BER 4.4% for OHCA data. OHCA data required two times more features than the data from public databases for an accurate detection (6 vs 3). No significant differences in performance were found for different segment lengths, the BER differences were below 0.5-points in all cases. Our results show that VF-detection is more challenging for OHCA data than for data from public databases, and that accurate VF-detection is possible with segments as short as 4-s.

Multi-level machine learning prediction of protein-protein interactions in Saccharomyces cerevisiae.

PubMed

Zubek, Julian; Tatjewski, Marcin; Boniecki, Adam; Mnich, Maciej; Basu, Subhadip; Plewczynski, Dariusz

2015-01-01

Accurate identification of protein-protein interactions (PPI) is the key step in understanding proteins' biological functions, which are typically context-dependent. Many existing PPI predictors rely on aggregated features from protein sequences, however only a few methods exploit local information about specific residue contacts. In this work we present a two-stage machine learning approach for prediction of protein-protein interactions. We start with the carefully filtered data on protein complexes available for Saccharomyces cerevisiae in the Protein Data Bank (PDB) database. First, we build linear descriptions of interacting and non-interacting sequence segment pairs based on their inter-residue distances. Secondly, we train machine learning classifiers to predict binary segment interactions for any two short sequence fragments. The final prediction of the protein-protein interaction is done using the 2D matrix representation of all-against-all possible interacting sequence segments of both analysed proteins. The level-I predictor achieves 0.88 AUC for micro-scale, i.e., residue-level prediction. The level-II predictor improves the results further by a more complex learning paradigm. We perform 30-fold macro-scale, i.e., protein-level cross-validation experiment. The level-II predictor using PSIPRED-predicted secondary structure reaches 0.70 precision, 0.68 recall, and 0.70 AUC, whereas other popular methods provide results below 0.6 threshold (recall, precision, AUC). Our results demonstrate that multi-scale sequence features aggregation procedure is able to improve the machine learning results by more than 10% as compared to other sequence representations. Prepared datasets and source code for our experimental pipeline are freely available for download from: http://zubekj.github.io/mlppi/ (open source Python implementation, OS independent).

Nuclear Forensics Analysis with Missing and Uncertain Data

DOE PAGES

Langan, Roisin T.; Archibald, Richard K.; Lamberti, Vincent

2015-10-05

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained bymore » replacing missing information with constant values.« less

An Introduction to Database Structure and Database Machines.

ERIC Educational Resources Information Center

Detweiler, Karen

1984-01-01

Enumerates principal management objectives of database management systems (data independence, quality, security, multiuser access, central control) and criteria for comparison (response time, size, flexibility, other features). Conventional database management systems, relational databases, and database machines used for backend processing are…

A machine-learning approach for computation of fractional flow reserve from coronary computed tomography.

PubMed

Itu, Lucian; Rapaka, Saikiran; Passerini, Tiziano; Georgescu, Bogdan; Schwemmer, Chris; Schoebinger, Max; Flohr, Thomas; Sharma, Puneet; Comaniciu, Dorin

2016-07-01

Fractional flow reserve (FFR) is a functional index quantifying the severity of coronary artery lesions and is clinically obtained using an invasive, catheter-based measurement. Recently, physics-based models have shown great promise in being able to noninvasively estimate FFR from patient-specific anatomical information, e.g., obtained from computed tomography scans of the heart and the coronary arteries. However, these models have high computational demand, limiting their clinical adoption. In this paper, we present a machine-learning-based model for predicting FFR as an alternative to physics-based approaches. The model is trained on a large database of synthetically generated coronary anatomies, where the target values are computed using the physics-based model. The trained model predicts FFR at each point along the centerline of the coronary tree, and its performance was assessed by comparing the predictions against physics-based computations and against invasively measured FFR for 87 patients and 125 lesions in total. Correlation between machine-learning and physics-based predictions was excellent (0.9994, P < 0.001), and no systematic bias was found in Bland-Altman analysis: mean difference was -0.00081 ± 0.0039. Invasive FFR ≤ 0.80 was found in 38 lesions out of 125 and was predicted by the machine-learning algorithm with a sensitivity of 81.6%, a specificity of 83.9%, and an accuracy of 83.2%. The correlation was 0.729 (P < 0.001). Compared with the physics-based computation, average execution time was reduced by more than 80 times, leading to near real-time assessment of FFR. Average execution time went down from 196.3 ± 78.5 s for the CFD model to ∼2.4 ± 0.44 s for the machine-learning model on a workstation with 3.4-GHz Intel i7 8-core processor. Copyright © 2016 the American Physiological Society.

Machine learning and microsimulation techniques on the prognosis of dementia: A systematic literature review

PubMed Central

Mendes, Emilia; Berglund, Johan; Anderberg, Peter

2017-01-01

Background Dementia is a complex disorder characterized by poor outcomes for the patients and high costs of care. After decades of research little is known about its mechanisms. Having prognostic estimates about dementia can help researchers, patients and public entities in dealing with this disorder. Thus, health data, machine learning and microsimulation techniques could be employed in developing prognostic estimates for dementia. Objective The goal of this paper is to present evidence on the state of the art of studies investigating and the prognosis of dementia using machine learning and microsimulation techniques. Method To achieve our goal we carried out a systematic literature review, in which three large databases—Pubmed, Socups and Web of Science were searched to select studies that employed machine learning or microsimulation techniques for the prognosis of dementia. A single backward snowballing was done to identify further studies. A quality checklist was also employed to assess the quality of the evidence presented by the selected studies, and low quality studies were removed. Finally, data from the final set of studies were extracted in summary tables. Results In total 37 papers were included. The data summary results showed that the current research is focused on the investigation of the patients with mild cognitive impairment that will evolve to Alzheimer’s disease, using machine learning techniques. Microsimulation studies were concerned with cost estimation and had a populational focus. Neuroimaging was the most commonly used variable. Conclusions Prediction of conversion from MCI to AD is the dominant theme in the selected studies. Most studies used ML techniques on Neuroimaging data. Only a few data sources have been recruited by most studies and the ADNI database is the one most commonly used. Only two studies have investigated the prediction of epidemiological aspects of Dementia using either ML or MS techniques. Finally, care should be taken when interpreting the reported accuracy of ML techniques, given studies’ different contexts. PMID:28662070

Screening Electronic Health Record-Related Patient Safety Reports Using Machine Learning.

PubMed

Marella, William M; Sparnon, Erin; Finley, Edward

2017-03-01

The objective of this study was to develop a semiautomated approach to screening cases that describe hazards associated with the electronic health record (EHR) from a mandatory, population-based patient safety reporting system. Potentially relevant cases were identified through a query of the Pennsylvania Patient Safety Reporting System. A random sample of cases were manually screened for relevance and divided into training, testing, and validation data sets to develop a machine learning model. This model was used to automate screening of remaining potentially relevant cases. Of the 4 algorithms tested, a naive Bayes kernel performed best, with an area under the receiver operating characteristic curve of 0.927 ± 0.023, accuracy of 0.855 ± 0.033, and F score of 0.877 ± 0.027. The machine learning model and text mining approach described here are useful tools for identifying and analyzing adverse event and near-miss reports. Although reporting systems are beginning to incorporate structured fields on health information technology and the EHR, these methods can identify related events that reporters classify in other ways. These methods can facilitate analysis of legacy safety reports by retrieving health information technology-related and EHR-related events from databases without fields and controlled values focused on this subject and distinguishing them from reports in which the EHR is mentioned only in passing. Machine learning and text mining are useful additions to the patient safety toolkit and can be used to semiautomate screening and analysis of unstructured text in safety reports from frontline staff.

Machine learning for the meta-analyses of microbial pathogens' volatile signatures.

PubMed

Palma, Susana I C J; Traguedo, Ana P; Porteira, Ana R; Frias, Maria J; Gamboa, Hugo; Roque, Ana C A

2018-02-20

Non-invasive and fast diagnostic tools based on volatolomics hold great promise in the control of infectious diseases. However, the tools to identify microbial volatile organic compounds (VOCs) discriminating between human pathogens are still missing. Artificial intelligence is increasingly recognised as an essential tool in health sciences. Machine learning algorithms based in support vector machines and features selection tools were here applied to find sets of microbial VOCs with pathogen-discrimination power. Studies reporting VOCs emitted by human microbial pathogens published between 1977 and 2016 were used as source data. A set of 18 VOCs is sufficient to predict the identity of 11 microbial pathogens with high accuracy (77%), and precision (62-100%). There is one set of VOCs associated with each of the 11 pathogens which can predict the presence of that pathogen in a sample with high accuracy and precision (86-90%). The implemented pathogen classification methodology supports future database updates to include new pathogen-VOC data, which will enrich the classifiers. The sets of VOCs identified potentiate the improvement of the selectivity of non-invasive infection diagnostics using artificial olfaction devices.

Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction.

PubMed

Kuhn, Stefan; Egert, Björn; Neumann, Steffen; Steinbeck, Christoph

2008-09-25

Current efforts in Metabolomics, such as the Human Metabolome Project, collect structures of biological metabolites as well as data for their characterisation, such as spectra for identification of substances and measurements of their concentration. Still, only a fraction of existing metabolites and their spectral fingerprints are known. Computer-Assisted Structure Elucidation (CASE) of biological metabolites will be an important tool to leverage this lack of knowledge. Indispensable for CASE are modules to predict spectra for hypothetical structures. This paper evaluates different statistical and machine learning methods to perform predictions of proton NMR spectra based on data from our open database NMRShiftDB. A mean absolute error of 0.18 ppm was achieved for the prediction of proton NMR shifts ranging from 0 to 11 ppm. Random forest, J48 decision tree and support vector machines achieved similar overall errors. HOSE codes being a notably simple method achieved a comparatively good result of 0.17 ppm mean absolute error. NMR prediction methods applied in the course of this work delivered precise predictions which can serve as a building block for Computer-Assisted Structure Elucidation for biological metabolites.

wACSF—Weighted atom-centered symmetry functions as descriptors in machine learning potentials

NASA Astrophysics Data System (ADS)

Gastegger, M.; Schwiedrzik, L.; Bittermann, M.; Berzsenyi, F.; Marquetand, P.

2018-06-01

We introduce weighted atom-centered symmetry functions (wACSFs) as descriptors of a chemical system's geometry for use in the prediction of chemical properties such as enthalpies or potential energies via machine learning. The wACSFs are based on conventional atom-centered symmetry functions (ACSFs) but overcome the undesirable scaling of the latter with an increasing number of different elements in a chemical system. The performance of these two descriptors is compared using them as inputs in high-dimensional neural network potentials (HDNNPs), employing the molecular structures and associated enthalpies of the 133 855 molecules containing up to five different elements reported in the QM9 database as reference data. A substantially smaller number of wACSFs than ACSFs is needed to obtain a comparable spatial resolution of the molecular structures. At the same time, this smaller set of wACSFs leads to a significantly better generalization performance in the machine learning potential than the large set of conventional ACSFs. Furthermore, we show that the intrinsic parameters of the descriptors can in principle be optimized with a genetic algorithm in a highly automated manner. For the wACSFs employed here, we find however that using a simple empirical parametrization scheme is sufficient in order to obtain HDNNPs with high accuracy.

Machine learning of swimming data via wisdom of crowd and regression analysis.

PubMed

Xie, Jiang; Xu, Junfu; Nie, Celine; Nie, Qing

2017-04-01

Every performance, in an officially sanctioned meet, by a registered USA swimmer is recorded into an online database with times dating back to 1980. For the first time, statistical analysis and machine learning methods are systematically applied to 4,022,631 swim records. In this study, we investigate performance features for all strokes as a function of age and gender. The variances in performance of males and females for different ages and strokes were studied, and the correlations of performances for different ages were estimated using the Pearson correlation. Regression analysis show the performance trends for both males and females at different ages and suggest critical ages for peak training. Moreover, we assess twelve popular machine learning methods to predict or classify swimmer performance. Each method exhibited different strengths or weaknesses in different cases, indicating no one method could predict well for all strokes. To address this problem, we propose a new method by combining multiple inference methods to derive Wisdom of Crowd Classifier (WoCC). Our simulation experiments demonstrate that the WoCC is a consistent method with better overall prediction accuracy. Our study reveals several new age-dependent trends in swimming and provides an accurate method for classifying and predicting swimming times.

Predicting adverse hemodynamic events in critically ill patients.

PubMed

Yoon, Joo H; Pinsky, Michael R

2018-06-01

The art of predicting future hemodynamic instability in the critically ill has rapidly become a science with the advent of advanced analytical processed based on computer-driven machine learning techniques. How these methods have progressed beyond severity scoring systems to interface with decision-support is summarized. Data mining of large multidimensional clinical time-series databases using a variety of machine learning tools has led to our ability to identify alert artifact and filter it from bedside alarms, display real-time risk stratification at the bedside to aid in clinical decision-making and predict the subsequent development of cardiorespiratory insufficiency hours before these events occur. This fast evolving filed is primarily limited by linkage of high-quality granular to physiologic rationale across heterogeneous clinical care domains. Using advanced analytic tools to glean knowledge from clinical data streams is rapidly becoming a reality whose clinical impact potential is great.

Evaluation of machine learning algorithms for prediction of regions of high Reynolds averaged Navier Stokes uncertainty

DOE PAGES

Ling, Julia; Templeton, Jeremy Alan

2015-08-04

Reynolds Averaged Navier Stokes (RANS) models are widely used in industry to predict fluid flows, despite their acknowledged deficiencies. Not only do RANS models often produce inaccurate flow predictions, but there are very limited diagnostics available to assess RANS accuracy for a given flow configuration. If experimental or higher fidelity simulation results are not available for RANS validation, there is no reliable method to evaluate RANS accuracy. This paper explores the potential of utilizing machine learning algorithms to identify regions of high RANS uncertainty. Three different machine learning algorithms were evaluated: support vector machines, Adaboost decision trees, and random forests.more » The algorithms were trained on a database of canonical flow configurations for which validated direct numerical simulation or large eddy simulation results were available, and were used to classify RANS results on a point-by-point basis as having either high or low uncertainty, based on the breakdown of specific RANS modeling assumptions. Classifiers were developed for three different basic RANS eddy viscosity model assumptions: the isotropy of the eddy viscosity, the linearity of the Boussinesq hypothesis, and the non-negativity of the eddy viscosity. It is shown that these classifiers are able to generalize to flows substantially different from those on which they were trained. As a result, feature selection techniques, model evaluation, and extrapolation detection are discussed in the context of turbulence modeling applications.« less

A systematic review of data mining and machine learning for air pollution epidemiology.

PubMed

Bellinger, Colin; Mohomed Jabbar, Mohomed Shazan; Zaïane, Osmar; Osornio-Vargas, Alvaro

2017-11-28

Data measuring airborne pollutants, public health and environmental factors are increasingly being stored and merged. These big datasets offer great potential, but also challenge traditional epidemiological methods. This has motivated the exploration of alternative methods to make predictions, find patterns and extract information. To this end, data mining and machine learning algorithms are increasingly being applied to air pollution epidemiology. We conducted a systematic literature review on the application of data mining and machine learning methods in air pollution epidemiology. We carried out our search process in PubMed, the MEDLINE database and Google Scholar. Research articles applying data mining and machine learning methods to air pollution epidemiology were queried and reviewed. Our search queries resulted in 400 research articles. Our fine-grained analysis employed our inclusion/exclusion criteria to reduce the results to 47 articles, which we separate into three primary areas of interest: 1) source apportionment; 2) forecasting/prediction of air pollution/quality or exposure; and 3) generating hypotheses. Early applications had a preference for artificial neural networks. In more recent work, decision trees, support vector machines, k-means clustering and the APRIORI algorithm have been widely applied. Our survey shows that the majority of the research has been conducted in Europe, China and the USA, and that data mining is becoming an increasingly common tool in environmental health. For potential new directions, we have identified that deep learning and geo-spacial pattern mining are two burgeoning areas of data mining that have good potential for future applications in air pollution epidemiology. We carried out a systematic review identifying the current trends, challenges and new directions to explore in the application of data mining methods to air pollution epidemiology. This work shows that data mining is increasingly being applied in air pollution epidemiology. The potential to support air pollution epidemiology continues to grow with advancements in data mining related to temporal and geo-spacial mining, and deep learning. This is further supported by new sensors and storage mediums that enable larger, better quality data. This suggests that many more fruitful applications can be expected in the future.

Predicting human protein function with multi-task deep neural networks.

PubMed

Fa, Rui; Cozzetto, Domenico; Wan, Cen; Jones, David T

2018-01-01

Machine learning methods for protein function prediction are urgently needed, especially now that a substantial fraction of known sequences remains unannotated despite the extensive use of functional assignments based on sequence similarity. One major bottleneck supervised learning faces in protein function prediction is the structured, multi-label nature of the problem, because biological roles are represented by lists of terms from hierarchically organised controlled vocabularies such as the Gene Ontology. In this work, we build on recent developments in the area of deep learning and investigate the usefulness of multi-task deep neural networks (MTDNN), which consist of upstream shared layers upon which are stacked in parallel as many independent modules (additional hidden layers with their own output units) as the number of output GO terms (the tasks). MTDNN learns individual tasks partially using shared representations and partially from task-specific characteristics. When no close homologues with experimentally validated functions can be identified, MTDNN gives more accurate predictions than baseline methods based on annotation frequencies in public databases or homology transfers. More importantly, the results show that MTDNN binary classification accuracy is higher than alternative machine learning-based methods that do not exploit commonalities and differences among prediction tasks. Interestingly, compared with a single-task predictor, the performance improvement is not linearly correlated with the number of tasks in MTDNN, but medium size models provide more improvement in our case. One of advantages of MTDNN is that given a set of features, there is no requirement for MTDNN to have a bootstrap feature selection procedure as what traditional machine learning algorithms do. Overall, the results indicate that the proposed MTDNN algorithm improves the performance of protein function prediction. On the other hand, there is still large room for deep learning techniques to further enhance prediction ability.

A Machine Learning Ensemble Classifier for Early Prediction of Diabetic Retinopathy.

PubMed

S K, Somasundaram; P, Alli

2017-11-09

The main complication of diabetes is Diabetic retinopathy (DR), retinal vascular disease and it leads to the blindness. Regular screening for early DR disease detection is considered as an intensive labor and resource oriented task. Therefore, automatic detection of DR diseases is performed only by using the computational technique is the great solution. An automatic method is more reliable to determine the presence of an abnormality in Fundus images (FI) but, the classification process is poorly performed. Recently, few research works have been designed for analyzing texture discrimination capacity in FI to distinguish the healthy images. However, the feature extraction (FE) process was not performed well, due to the high dimensionality. Therefore, to identify retinal features for DR disease diagnosis and early detection using Machine Learning and Ensemble Classification method, called, Machine Learning Bagging Ensemble Classifier (ML-BEC) is designed. The ML-BEC method comprises of two stages. The first stage in ML-BEC method comprises extraction of the candidate objects from Retinal Images (RI). The candidate objects or the features for DR disease diagnosis include blood vessels, optic nerve, neural tissue, neuroretinal rim, optic disc size, thickness and variance. These features are initially extracted by applying Machine Learning technique called, t-distributed Stochastic Neighbor Embedding (t-SNE). Besides, t-SNE generates a probability distribution across high-dimensional images where the images are separated into similar and dissimilar pairs. Then, t-SNE describes a similar probability distribution across the points in the low-dimensional map. This lessens the Kullback-Leibler divergence among two distributions regarding the locations of the points on the map. The second stage comprises of application of ensemble classifiers to the extracted features for providing accurate analysis of digital FI using machine learning. In this stage, an automatic detection of DR screening system using Bagging Ensemble Classifier (BEC) is investigated. With the help of voting the process in ML-BEC, bagging minimizes the error due to variance of the base classifier. With the publicly available retinal image databases, our classifier is trained with 25% of RI. Results show that the ensemble classifier can achieve better classification accuracy (CA) than single classification models. Empirical experiments suggest that the machine learning-based ensemble classifier is efficient for further reducing DR classification time (CT).

Evaluation of Machine Learning and Rules-Based Approaches for Predicting Antimicrobial Resistance Profiles in Gram-negative Bacilli from Whole Genome Sequence Data.

PubMed

Pesesky, Mitchell W; Hussain, Tahir; Wallace, Meghan; Patel, Sanket; Andleeb, Saadia; Burnham, Carey-Ann D; Dantas, Gautam

2016-01-01

The time-to-result for culture-based microorganism recovery and phenotypic antimicrobial susceptibility testing necessitates initial use of empiric (frequently broad-spectrum) antimicrobial therapy. If the empiric therapy is not optimal, this can lead to adverse patient outcomes and contribute to increasing antibiotic resistance in pathogens. New, more rapid technologies are emerging to meet this need. Many of these are based on identifying resistance genes, rather than directly assaying resistance phenotypes, and thus require interpretation to translate the genotype into treatment recommendations. These interpretations, like other parts of clinical diagnostic workflows, are likely to be increasingly automated in the future. We set out to evaluate the two major approaches that could be amenable to automation pipelines: rules-based methods and machine learning methods. The rules-based algorithm makes predictions based upon current, curated knowledge of Enterobacteriaceae resistance genes. The machine-learning algorithm predicts resistance and susceptibility based on a model built from a training set of variably resistant isolates. As our test set, we used whole genome sequence data from 78 clinical Enterobacteriaceae isolates, previously identified to represent a variety of phenotypes, from fully-susceptible to pan-resistant strains for the antibiotics tested. We tested three antibiotic resistance determinant databases for their utility in identifying the complete resistome for each isolate. The predictions of the rules-based and machine learning algorithms for these isolates were compared to results of phenotype-based diagnostics. The rules based and machine-learning predictions achieved agreement with standard-of-care phenotypic diagnostics of 89.0 and 90.3%, respectively, across twelve antibiotic agents from six major antibiotic classes. Several sources of disagreement between the algorithms were identified. Novel variants of known resistance factors and incomplete genome assembly confounded the rules-based algorithm, resulting in predictions based on gene family, rather than on knowledge of the specific variant found. Low-frequency resistance caused errors in the machine-learning algorithm because those genes were not seen or seen infrequently in the test set. We also identified an example of variability in the phenotype-based results that led to disagreement with both genotype-based methods. Genotype-based antimicrobial susceptibility testing shows great promise as a diagnostic tool, and we outline specific research goals to further refine this methodology.

Searching molecular structure databases with tandem mass spectra using CSI:FingerID

PubMed Central

Dührkop, Kai; Shen, Huibin; Meusel, Marvin; Rousu, Juho; Böcker, Sebastian

2015-01-01

Metabolites provide a direct functional signature of cellular state. Untargeted metabolomics experiments usually rely on tandem MS to identify the thousands of compounds in a biological sample. Today, the vast majority of metabolites remain unknown. We present a method for searching molecular structure databases using tandem MS data of small molecules. Our method computes a fragmentation tree that best explains the fragmentation spectrum of an unknown molecule. We use the fragmentation tree to predict the molecular structure fingerprint of the unknown compound using machine learning. This fingerprint is then used to search a molecular structure database such as PubChem. Our method is shown to improve on the competing methods for computational metabolite identification by a considerable margin. PMID:26392543

Proceedings of the International Conference (7th) on Machine Learning Held in Austin, Texas on 21-23 June 1990

DTIC Science & Technology

1990-06-23

experiment was carried out for I(a2 I C1) = I(a2 C 2 ) = 1(a2 0 C3) = 0.33 both the databases . The number of sub-descriptions 1(a3 I C1) = I(a3 C 2 ) = l...for the second database is + 1(a2 I C2 )) + f(ep2 I C2) * as shown in table 4. The nurber of sub-descriptions (I(al I C2) + I(a2 I C2 )) is once...tends to degrade the performance [Chan 75]. path of C3]. Application 2 : The database is the 1984 Congres- sional voting pattern records consisting of

Applications of Database Machines in Library Systems.

ERIC Educational Resources Information Center

Salmon, Stephen R.

1984-01-01

Characteristics and advantages of database machines are summarized and their applications to library functions are described. The ability to attach multiple hosts to the same database and flexibility in choosing operating and database management systems for different functions without loss of access to common database are noted. (EJS)

Large-scale extraction of accurate drug-disease treatment pairs from biomedical literature for drug repurposing

PubMed Central

2013-01-01

Background A large-scale, highly accurate, machine-understandable drug-disease treatment relationship knowledge base is important for computational approaches to drug repurposing. The large body of published biomedical research articles and clinical case reports available on MEDLINE is a rich source of FDA-approved drug-disease indication as well as drug-repurposing knowledge that is crucial for applying FDA-approved drugs for new diseases. However, much of this information is buried in free text and not captured in any existing databases. The goal of this study is to extract a large number of accurate drug-disease treatment pairs from published literature. Results In this study, we developed a simple but highly accurate pattern-learning approach to extract treatment-specific drug-disease pairs from 20 million biomedical abstracts available on MEDLINE. We extracted a total of 34,305 unique drug-disease treatment pairs, the majority of which are not included in existing structured databases. Our algorithm achieved a precision of 0.904 and a recall of 0.131 in extracting all pairs, and a precision of 0.904 and a recall of 0.842 in extracting frequent pairs. In addition, we have shown that the extracted pairs strongly correlate with both drug target genes and therapeutic classes, therefore may have high potential in drug discovery. Conclusions We demonstrated that our simple pattern-learning relationship extraction algorithm is able to accurately extract many drug-disease pairs from the free text of biomedical literature that are not captured in structured databases. The large-scale, accurate, machine-understandable drug-disease treatment knowledge base that is resultant of our study, in combination with pairs from structured databases, will have high potential in computational drug repurposing tasks. PMID:23742147

Histogram of gradient and binarized statistical image features of wavelet subband-based palmprint features extraction

NASA Astrophysics Data System (ADS)

Attallah, Bilal; Serir, Amina; Chahir, Youssef; Boudjelal, Abdelwahhab

2017-11-01

Palmprint recognition systems are dependent on feature extraction. A method of feature extraction using higher discrimination information was developed to characterize palmprint images. In this method, two individual feature extraction techniques are applied to a discrete wavelet transform of a palmprint image, and their outputs are fused. The two techniques used in the fusion are the histogram of gradient and the binarized statistical image features. They are then evaluated using an extreme learning machine classifier before selecting a feature based on principal component analysis. Three palmprint databases, the Hong Kong Polytechnic University (PolyU) Multispectral Palmprint Database, Hong Kong PolyU Palmprint Database II, and the Delhi Touchless (IIDT) Palmprint Database, are used in this study. The study shows that our method effectively identifies and verifies palmprints and outperforms other methods based on feature extraction.

Automated detection and differentiation of drusen, exudates, and cotton-wool spots in digital color fundus photographs for diabetic retinopathy diagnosis.

PubMed

Niemeijer, Meindert; van Ginneken, Bram; Russell, Stephen R; Suttorp-Schulten, Maria S A; Abràmoff, Michael D

2007-05-01

To describe and evaluate a machine learning-based, automated system to detect exudates and cotton-wool spots in digital color fundus photographs and differentiate them from drusen, for early diagnosis of diabetic retinopathy. Three hundred retinal images from one eye of 300 patients with diabetes were selected from a diabetic retinopathy telediagnosis database (nonmydriatic camera, two-field photography): 100 with previously diagnosed bright lesions and 200 without. A machine learning computer program was developed that can identify and differentiate among drusen, (hard) exudates, and cotton-wool spots. A human expert standard for the 300 images was obtained by consensus annotation by two retinal specialists. Sensitivities and specificities of the annotations on the 300 images by the automated system and a third retinal specialist were determined. The system achieved an area under the receiver operating characteristic (ROC) curve of 0.95 and sensitivity/specificity pairs of 0.95/0.88 for the detection of bright lesions of any type, and 0.95/0.86, 0.70/0.93, and 0.77/0.88 for the detection of exudates, cotton-wool spots, and drusen, respectively. The third retinal specialist achieved pairs of 0.95/0.74 for bright lesions and 0.90/0.98, 0.87/0.98, and 0.92/0.79 per lesion type. A machine learning-based, automated system capable of detecting exudates and cotton-wool spots and differentiating them from drusen in color images obtained in community based diabetic patients has been developed and approaches the performance level of retinal experts. If the machine learning can be improved with additional training data sets, it may be useful for detecting clinically important bright lesions, enhancing early diagnosis, and reducing visual loss in patients with diabetes.

Machine learning and new vital signs monitoring in civilian en route care: A systematic review of the literature and future implications for the military.

PubMed

Liu, Nehemiah T; Salinas, Jose

2016-11-01

Although air transport medical services are today an integral part of trauma systems in most developed countries, to date, there are no reviews on recent innovations in civilian en route care. The purpose of this systematic review was to identify potential machine learning and new vital signs monitoring technologies in civilian en route care that could help close civilian and military capability gaps in monitoring and the early detection and treatment of various trauma injuries. MEDLINE, the Cochrane Database of Systematic Reviews, and citation review of relevant primary and review articles were searched for studies involving civilian en route care, air medical transport, and technologies from January 2005 to November 2015. Data were abstracted on study design, population, year, sponsors, innovation category, details of technologies, and outcomes. Thirteen observational studies involving civilian medical transport met inclusion criteria. Studies either focused on machine learning and software algorithms (n = 5), new vital signs monitoring (n = 6), or both (n = 2). Innovations involved continuous digital acquisition of physiologic data and parameter extraction. Importantly, all studies (n = 13) demonstrated improved outcomes where applicable and potential use during civilian and military en route care. However, almost all studies required further validation in prospective and/or randomized controlled trials. Potential machine learning technologies and monitoring of novel vital signs such as heart rate variability and complexity in civilian en route care could help enhance en route care for our nation's war fighters. In a complex global environment, they could potentially fill capability gaps such as monitoring and the early detection and treatment of various trauma injuries. However, the impact of these innovations and technologies will require further validation before widespread acceptance and prehospital use. Systematic review, level V.

Machine Learning Interface for Medical Image Analysis.

PubMed

Zhang, Yi C; Kagen, Alexander C

2017-10-01

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.

Literature Mining of Pathogenesis-Related Proteins in Human Pathogens for Database Annotation

DTIC Science & Technology

2009-10-01

person shall be subject to any penalty for failing to comply with a collection of information if it does not display a currently valid OMB control...submission and for literature mining result display with automatically tagged abstracts. I. Literature data sets for machine learning algorithm training...mass spectrometry) proteomics data from Burkholderia strains. • Task1 ( M13 -15): Preliminary analysis of the Burkholderia proteomic space

Projected Regression Methods for Inverting Fredholm Integrals: Formalism and Application to Analytical Continuation

NASA Astrophysics Data System (ADS)

Arsenault, Louis-Francois; Neuberg, Richard; Hannah, Lauren A.; Millis, Andrew J.

We present a machine learning-based statistical regression approach to the inversion of Fredholm integrals of the first kind by studying an important example for the quantum materials community, the analytical continuation problem of quantum many-body physics. It involves reconstructing the frequency dependence of physical excitation spectra from data obtained at specific points in the complex frequency plane. The approach provides a natural regularization in cases where the inverse of the Fredholm kernel is ill-conditioned and yields robust error metrics. The stability of the forward problem permits the construction of a large database of input-output pairs. Machine learning methods applied to this database generate approximate solutions which are projected onto the subspace of functions satisfying relevant constraints. We show that for low input noise the method performs as well or better than Maximum Entropy (MaxEnt) under standard error metrics, and is substantially more robust to noise. We expect the methodology to be similarly effective for any problem involving a formally ill-conditioned inversion, provided that the forward problem can be efficiently solved. AJM was supported by the Office of Science of the U.S. Department of Energy under Subcontract No. 3F-3138 and LFA by the Columbia Univeristy IDS-ROADS project, UR009033-05 which also provided part support to RN and LH.

Toward Intelligent Machine Learning Algorithms

DTIC Science & Technology

1988-05-01

Machine learning is recognized as a tool for improving the performance of many kinds of systems, yet most machine learning systems themselves are not...directed systems, and with the addition of a knowledge store for organizing and maintaining knowledge to assist learning, a learning machine learning (L...ML) algorithm is possible. The necessary components of L-ML systems are presented along with several case descriptions of existing machine learning systems

Web Mining: Machine Learning for Web Applications.

ERIC Educational Resources Information Center

Chen, Hsinchun; Chau, Michael

2004-01-01

Presents an overview of machine learning research and reviews methods used for evaluating machine learning systems. Ways that machine-learning algorithms were used in traditional information retrieval systems in the "pre-Web" era are described, and the field of Web mining and how machine learning has been used in different Web mining…

Classification of ECG beats using deep belief network and active learning.

PubMed

G, Sayantan; T, Kien P; V, Kadambari K

2018-04-12

A new semi-supervised approach based on deep learning and active learning for classification of electrocardiogram signals (ECG) is proposed. The objective of the proposed work is to model a scientific method for classification of cardiac irregularities using electrocardiogram beats. The model follows the Association for the Advancement of medical instrumentation (AAMI) standards and consists of three phases. In phase I, feature representation of ECG is learnt using Gaussian-Bernoulli deep belief network followed by a linear support vector machine (SVM) training in the consecutive phase. It yields three deep models which are based on AAMI-defined classes, namely N, V, S, and F. In the last phase, a query generator is introduced to interact with the expert to label few beats to improve accuracy and sensitivity. The proposed approach depicts significant improvement in accuracy with minimal queries posed to the expert and fast online training as tested on the MIT-BIH Arrhythmia Database and the MIT-BIH Supra-ventricular Arrhythmia Database (SVDB). With 100 queries labeled by the expert in phase III, the method achieves an accuracy of 99.5% in "S" versus all classifications (SVEB) and 99.4% accuracy in "V " versus all classifications (VEB) on MIT-BIH Arrhythmia Database. In a similar manner, it is attributed that an accuracy of 97.5% for SVEB and 98.6% for VEB on SVDB database is achieved respectively. Graphical Abstract Reply- Deep belief network augmented by active learning for efficient prediction of arrhythmia.

Stable orthogonal local discriminant embedding for linear dimensionality reduction.

PubMed

Gao, Quanxue; Ma, Jingjie; Zhang, Hailin; Gao, Xinbo; Liu, Yamin

2013-07-01

Manifold learning is widely used in machine learning and pattern recognition. However, manifold learning only considers the similarity of samples belonging to the same class and ignores the within-class variation of data, which will impair the generalization and stableness of the algorithms. For this purpose, we construct an adjacency graph to model the intraclass variation that characterizes the most important properties, such as diversity of patterns, and then incorporate the diversity into the discriminant objective function for linear dimensionality reduction. Finally, we introduce the orthogonal constraint for the basis vectors and propose an orthogonal algorithm called stable orthogonal local discriminate embedding. Experimental results on several standard image databases demonstrate the effectiveness of the proposed dimensionality reduction approach.

Prediction of protein-protein interactions from amino acid sequences with ensemble extreme learning machines and principal component analysis

PubMed Central

2013-01-01

Background Protein-protein interactions (PPIs) play crucial roles in the execution of various cellular processes and form the basis of biological mechanisms. Although large amount of PPIs data for different species has been generated by high-throughput experimental techniques, current PPI pairs obtained with experimental methods cover only a fraction of the complete PPI networks, and further, the experimental methods for identifying PPIs are both time-consuming and expensive. Hence, it is urgent and challenging to develop automated computational methods to efficiently and accurately predict PPIs. Results We present here a novel hierarchical PCA-EELM (principal component analysis-ensemble extreme learning machine) model to predict protein-protein interactions only using the information of protein sequences. In the proposed method, 11188 protein pairs retrieved from the DIP database were encoded into feature vectors by using four kinds of protein sequences information. Focusing on dimension reduction, an effective feature extraction method PCA was then employed to construct the most discriminative new feature set. Finally, multiple extreme learning machines were trained and then aggregated into a consensus classifier by majority voting. The ensembling of extreme learning machine removes the dependence of results on initial random weights and improves the prediction performance. Conclusions When performed on the PPI data of Saccharomyces cerevisiae, the proposed method achieved 87.00% prediction accuracy with 86.15% sensitivity at the precision of 87.59%. Extensive experiments are performed to compare our method with state-of-the-art techniques Support Vector Machine (SVM). Experimental results demonstrate that proposed PCA-EELM outperforms the SVM method by 5-fold cross-validation. Besides, PCA-EELM performs faster than PCA-SVM based method. Consequently, the proposed approach can be considered as a new promising and powerful tools for predicting PPI with excellent performance and less time. PMID:23815620

Performance of a Machine Learning Classifier of Knee MRI Reports in Two Large Academic Radiology Practices: A Tool to Estimate Diagnostic Yield.

PubMed

Hassanpour, Saeed; Langlotz, Curtis P; Amrhein, Timothy J; Befera, Nicholas T; Lungren, Matthew P

2017-04-01

The purpose of this study is to evaluate the performance of a natural language processing (NLP) system in classifying a database of free-text knee MRI reports at two separate academic radiology practices. An NLP system that uses terms and patterns in manually classified narrative knee MRI reports was constructed. The NLP system was trained and tested on expert-classified knee MRI reports from two major health care organizations. Radiology reports were modeled in the training set as vectors, and a support vector machine framework was used to train the classifier. A separate test set from each organization was used to evaluate the performance of the system. We evaluated the performance of the system both within and across organizations. Standard evaluation metrics, such as accuracy, precision, recall, and F1 score (i.e., the weighted average of the precision and recall), and their respective 95% CIs were used to measure the efficacy of our classification system. The accuracy for radiology reports that belonged to the model's clinically significant concept classes after training data from the same institution was good, yielding an F1 score greater than 90% (95% CI, 84.6-97.3%). Performance of the classifier on cross-institutional application without institution-specific training data yielded F1 scores of 77.6% (95% CI, 69.5-85.7%) and 90.2% (95% CI, 84.5-95.9%) at the two organizations studied. The results show excellent accuracy by the NLP machine learning classifier in classifying free-text knee MRI reports, supporting the institution-independent reproducibility of knee MRI report classification. Furthermore, the machine learning classifier performed well on free-text knee MRI reports from another institution. These data support the feasibility of multiinstitutional classification of radiologic imaging text reports with a single machine learning classifier without requiring institution-specific training data.

GeneRIF indexing: sentence selection based on machine learning.

PubMed

Jimeno-Yepes, Antonio J; Sticco, J Caitlin; Mork, James G; Aronson, Alan R

2013-05-31

A Gene Reference Into Function (GeneRIF) describes novel functionality of genes. GeneRIFs are available from the National Center for Biotechnology Information (NCBI) Gene database. GeneRIF indexing is performed manually, and the intention of our work is to provide methods to support creating the GeneRIF entries. The creation of GeneRIF entries involves the identification of the genes mentioned in MEDLINE®; citations and the sentences describing a novel function. We have compared several learning algorithms and several features extracted or derived from MEDLINE sentences to determine if a sentence should be selected for GeneRIF indexing. Features are derived from the sentences or using mechanisms to augment the information provided by them: assigning a discourse label using a previously trained model, for example. We show that machine learning approaches with specific feature combinations achieve results close to one of the annotators. We have evaluated different feature sets and learning algorithms. In particular, Naïve Bayes achieves better performance with a selection of features similar to one used in related work, which considers the location of the sentence, the discourse of the sentence and the functional terminology in it. The current performance is at a level similar to human annotation and it shows that machine learning can be used to automate the task of sentence selection for GeneRIF annotation. The current experiments are limited to the human species. We would like to see how the methodology can be extended to other species, specifically the normalization of gene mentions in other species.

Manifold Regularized Experimental Design for Active Learning.

PubMed

Zhang, Lining; Shum, Hubert P H; Shao, Ling

2016-12-02

Various machine learning and data mining tasks in classification require abundant data samples to be labeled for training. Conventional active learning methods aim at labeling the most informative samples for alleviating the labor of the user. Many previous studies in active learning select one sample after another in a greedy manner. However, this is not very effective because the classification models has to be retrained for each newly labeled sample. Moreover, many popular active learning approaches utilize the most uncertain samples by leveraging the classification hyperplane of the classifier, which is not appropriate since the classification hyperplane is inaccurate when the training data are small-sized. The problem of insufficient training data in real-world systems limits the potential applications of these approaches. This paper presents a novel method of active learning called manifold regularized experimental design (MRED), which can label multiple informative samples at one time for training. In addition, MRED gives an explicit geometric explanation for the selected samples to be labeled by the user. Different from existing active learning methods, our method avoids the intrinsic problems caused by insufficiently labeled samples in real-world applications. Various experiments on synthetic datasets, the Yale face database and the Corel image database have been carried out to show how MRED outperforms existing methods.

Using Machine Learning to Advance Personality Assessment and Theory.

PubMed

Bleidorn, Wiebke; Hopwood, Christopher James

2018-05-01

Machine learning has led to important advances in society. One of the most exciting applications of machine learning in psychological science has been the development of assessment tools that can powerfully predict human behavior and personality traits. Thus far, machine learning approaches to personality assessment have focused on the associations between social media and other digital records with established personality measures. The goal of this article is to expand the potential of machine learning approaches to personality assessment by embedding it in a more comprehensive construct validation framework. We review recent applications of machine learning to personality assessment, place machine learning research in the broader context of fundamental principles of construct validation, and provide recommendations for how to use machine learning to advance our understanding of personality.

Human grasping database for activities of daily living with depth, color and kinematic data streams.

PubMed

Saudabayev, Artur; Rysbek, Zhanibek; Khassenova, Raykhan; Varol, Huseyin Atakan

2018-05-29

This paper presents a grasping database collected from multiple human subjects for activities of daily living in unstructured environments. The main strength of this database is the use of three different sensing modalities: color images from a head-mounted action camera, distance data from a depth sensor on the dominant arm and upper body kinematic data acquired from an inertial motion capture suit. 3826 grasps were identified in the data collected during 9-hours of experiments. The grasps were grouped according to a hierarchical taxonomy into 35 different grasp types. The database contains information related to each grasp and associated sensor data acquired from the three sensor modalities. We also provide our data annotation software written in Matlab as an open-source tool. The size of the database is 172 GB. We believe this database can be used as a stepping stone to develop big data and machine learning techniques for grasping and manipulation with potential applications in rehabilitation robotics and intelligent automation.

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

NASA Astrophysics Data System (ADS)

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 the model making them more difficult to interpret but highlighting the usefulness of the non-linear machine learning method. 2D interaction plots show probability of anoxic groundwater conditions largely control estimated nitrate concentrations compared to the other predictors.

New tools for discovery from old databases

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

Brown, J.P.

1990-05-01

Very large quantities of information have been accumulated as a result of petroleum exploration and the practice of petroleum geology. New and more powerful methods to build and analyze databases have been developed. The new tools must be tested, and, as quickly as possible, combined with traditional methods to the full advantage of currently limited funds in the search for new and extended hydrocarbon reserves. A recommended combined sequence is (1) database validating, (2) category separating, (3) machine learning, (4) graphic modeling, (5) database filtering, and (6) regression for predicting. To illustrate this procedure, a database from the Railroad Commissionmore » of Texas has been analyzed. Clusters of information have been identified to prevent apples and oranges problems from obscuring the conclusions. Artificial intelligence has checked the database for potentially invalid entries and has identified rules governing the relationship between factors, which can be numeric or nonnumeric (words), or both. Graphic 3-Dimensional modeling has clarified relationships. Database filtering has physically separated the integral parts of the database, which can then be run through the sequence again, increasing the precision. Finally, regressions have been run on separated clusters giving equations, which can be used with confidence in making predictions. Advances in computer systems encourage the learning of much more from past records, and reduce the danger of prejudiced decisions. Soon there will be giant strides beyond current capabilities to the advantage of those who are ready for them.« less

Exploring the CAESAR database using dimensionality reduction techniques

NASA Astrophysics Data System (ADS)

Mendoza-Schrock, Olga; Raymer, Michael L.

2012-06-01

The Civilian American and European Surface Anthropometry Resource (CAESAR) database containing over 40 anthropometric measurements on over 4000 humans has been extensively explored for pattern recognition and classification purposes using the raw, original data [1-4]. However, some of the anthropometric variables would be impossible to collect in an uncontrolled environment. Here, we explore the use of dimensionality reduction methods in concert with a variety of classification algorithms for gender classification using only those variables that are readily observable in an uncontrolled environment. Several dimensionality reduction techniques are employed to learn the underlining structure of the data. These techniques include linear projections such as the classical Principal Components Analysis (PCA) and non-linear (manifold learning) techniques, such as Diffusion Maps and the Isomap technique. This paper briefly describes all three techniques, and compares three different classifiers, Naïve Bayes, Adaboost, and Support Vector Machines (SVM), for gender classification in conjunction with each of these three dimensionality reduction approaches.

Toward a New Outlook on Primate Learning and Behavior: Complex Learning and Emergent Processes in Comparative Perspective

NASA Technical Reports Server (NTRS)

Rumbaugh, Duane M.; Savage-Rumbaugh, E. Sue; Washburn, David A.

1996-01-01

Primate research of the 20th century has established the validity of Darwin's postulation of psychological as well as biological continuity between humans and other primates, notably the great apes. Its data make clear that Descartes' view of animals as unfeeling 'beast-machines' is invalid and should be discarded. Traditional behavioristic frameworks, that emphasize the concepts of stimulus, response, and reinforcement and an 'empty-organism' psychology, are in need of major revisions. Revised frameworks should incorporate the fact that, in contrast to the lifeless databases of the 'hard' sciences, the database of psychology entails properties novel to life and its attendant phenomena. The contributions of research this century, achieved by field and laboratory researchers from around the world, have been substantial, indeed revolutionary. It is time to celebrate the progress of our field, to anticipate its significance, and to emphasize conservation of primates in their natural habitats.

Automated detection of focal cortical dysplasia type II with surface-based magnetic resonance imaging postprocessing and machine learning.

PubMed

Jin, Bo; Krishnan, Balu; Adler, Sophie; Wagstyl, Konrad; Hu, Wenhan; Jones, Stephen; Najm, Imad; Alexopoulos, Andreas; Zhang, Kai; Zhang, Jianguo; Ding, Meiping; Wang, Shuang; Wang, Zhong Irene

2018-05-01

Focal cortical dysplasia (FCD) is a major pathology in patients undergoing surgical resection to treat pharmacoresistant epilepsy. Magnetic resonance imaging (MRI) postprocessing methods may provide essential help for detection of FCD. In this study, we utilized surface-based MRI morphometry and machine learning for automated lesion detection in a mixed cohort of patients with FCD type II from 3 different epilepsy centers. Sixty-one patients with pharmacoresistant epilepsy and histologically proven FCD type II were included in the study. The patients had been evaluated at 3 different epilepsy centers using 3 different MRI scanners. T1-volumetric sequence was used for postprocessing. A normal database was constructed with 120 healthy controls. We also included 35 healthy test controls and 15 disease test controls with histologically confirmed hippocampal sclerosis to assess specificity. Features were calculated and incorporated into a nonlinear neural network classifier, which was trained to identify lesional cluster. We optimized the threshold of the output probability map from the classifier by performing receiver operating characteristic (ROC) analyses. Success of detection was defined by overlap between the final cluster and the manual labeling. Performance was evaluated using k-fold cross-validation. The threshold of 0.9 showed optimal sensitivity of 73.7% and specificity of 90.0%. The area under the curve for the ROC analysis was 0.75, which suggests a discriminative classifier. Sensitivity and specificity were not significantly different for patients from different centers, suggesting robustness of performance. Correct detection rate was significantly lower in patients with initially normal MRI than patients with unequivocally positive MRI. Subgroup analysis showed the size of the training group and normal control database impacted classifier performance. Automated surface-based MRI morphometry equipped with machine learning showed robust performance across cohorts from different centers and scanners. The proposed method may be a valuable tool to improve FCD detection in presurgical evaluation for patients with pharmacoresistant epilepsy. Wiley Periodicals, Inc. © 2018 International League Against Epilepsy.

Multispectral imaging burn wound tissue classification system: a comparison of test accuracies between several common machine learning algorithms

NASA Astrophysics Data System (ADS)

Squiers, John J.; Li, Weizhi; King, Darlene R.; Mo, Weirong; Zhang, Xu; Lu, Yang; Sellke, Eric W.; Fan, Wensheng; DiMaio, J. Michael; Thatcher, Jeffrey E.

2016-03-01

The clinical judgment of expert burn surgeons is currently the standard on which diagnostic and therapeutic decisionmaking regarding burn injuries is based. Multispectral imaging (MSI) has the potential to increase the accuracy of burn depth assessment and the intraoperative identification of viable wound bed during surgical debridement of burn injuries. A highly accurate classification model must be developed using machine-learning techniques in order to translate MSI data into clinically-relevant information. An animal burn model was developed to build an MSI training database and to study the burn tissue classification ability of several models trained via common machine-learning algorithms. The algorithms tested, from least to most complex, were: K-nearest neighbors (KNN), decision tree (DT), linear discriminant analysis (LDA), weighted linear discriminant analysis (W-LDA), quadratic discriminant analysis (QDA), ensemble linear discriminant analysis (EN-LDA), ensemble K-nearest neighbors (EN-KNN), and ensemble decision tree (EN-DT). After the ground-truth database of six tissue types (healthy skin, wound bed, blood, hyperemia, partial injury, full injury) was generated by histopathological analysis, we used 10-fold cross validation to compare the algorithms' performances based on their accuracies in classifying data against the ground truth, and each algorithm was tested 100 times. The mean test accuracy of the algorithms were KNN 68.3%, DT 61.5%, LDA 70.5%, W-LDA 68.1%, QDA 68.9%, EN-LDA 56.8%, EN-KNN 49.7%, and EN-DT 36.5%. LDA had the highest test accuracy, reflecting the bias-variance tradeoff over the range of complexities inherent to the algorithms tested. Several algorithms were able to match the current standard in burn tissue classification, the clinical judgment of expert burn surgeons. These results will guide further development of an MSI burn tissue classification system. Given that there are few surgeons and facilities specializing in burn care, this technology may improve the standard of burn care for patients without access to specialized facilities.

Bioinformatics algorithm based on a parallel implementation of a machine learning approach using transducers

NASA Astrophysics Data System (ADS)

Roche-Lima, Abiel; Thulasiram, Ruppa K.

2012-02-01

Finite automata, in which each transition is augmented with an output label in addition to the familiar input label, are considered finite-state transducers. Transducers have been used to analyze some fundamental issues in bioinformatics. Weighted finite-state transducers have been proposed to pairwise alignments of DNA and protein sequences; as well as to develop kernels for computational biology. Machine learning algorithms for conditional transducers have been implemented and used for DNA sequence analysis. Transducer learning algorithms are based on conditional probability computation. It is calculated by using techniques, such as pair-database creation, normalization (with Maximum-Likelihood normalization) and parameters optimization (with Expectation-Maximization - EM). These techniques are intrinsically costly for computation, even worse when are applied to bioinformatics, because the databases sizes are large. In this work, we describe a parallel implementation of an algorithm to learn conditional transducers using these techniques. The algorithm is oriented to bioinformatics applications, such as alignments, phylogenetic trees, and other genome evolution studies. Indeed, several experiences were developed using the parallel and sequential algorithm on Westgrid (specifically, on the Breeze cluster). As results, we obtain that our parallel algorithm is scalable, because execution times are reduced considerably when the data size parameter is increased. Another experience is developed by changing precision parameter. In this case, we obtain smaller execution times using the parallel algorithm. Finally, number of threads used to execute the parallel algorithm on the Breezy cluster is changed. In this last experience, we obtain as result that speedup is considerably increased when more threads are used; however there is a convergence for number of threads equal to or greater than 16.

Improving virtual screening predictive accuracy of Human kallikrein 5 inhibitors using machine learning models.

PubMed

Fang, Xingang; Bagui, Sikha; Bagui, Subhash

2017-08-01

The readily available high throughput screening (HTS) data from the PubChem database provides an opportunity for mining of small molecules in a variety of biological systems using machine learning techniques. From the thousands of available molecular descriptors developed to encode useful chemical information representing the characteristics of molecules, descriptor selection is an essential step in building an optimal quantitative structural-activity relationship (QSAR) model. For the development of a systematic descriptor selection strategy, we need the understanding of the relationship between: (i) the descriptor selection; (ii) the choice of the machine learning model; and (iii) the characteristics of the target bio-molecule. In this work, we employed the Signature descriptor to generate a dataset on the Human kallikrein 5 (hK 5) inhibition confirmatory assay data and compared multiple classification models including logistic regression, support vector machine, random forest and k-nearest neighbor. Under optimal conditions, the logistic regression model provided extremely high overall accuracy (98%) and precision (90%), with good sensitivity (65%) in the cross validation test. In testing the primary HTS screening data with more than 200K molecular structures, the logistic regression model exhibited the capability of eliminating more than 99.9% of the inactive structures. As part of our exploration of the descriptor-model-target relationship, the excellent predictive performance of the combination of the Signature descriptor and the logistic regression model on the assay data of the Human kallikrein 5 (hK 5) target suggested a feasible descriptor/model selection strategy on similar targets. Copyright © 2017 Elsevier Ltd. All rights reserved.

Machine learning study for the prediction of transdermal peptide

NASA Astrophysics Data System (ADS)

Jung, Eunkyoung; Choi, Seung-Hoon; Lee, Nam Kyung; Kang, Sang-Kee; Choi, Yun-Jaie; Shin, Jae-Min; Choi, Kihang; Jung, Dong Hyun

2011-04-01

In order to develop a computational method to rapidly evaluate transdermal peptides, we report approaches for predicting the transdermal activity of peptides on the basis of peptide sequence information using Artificial Neural Network (ANN), Partial Least Squares (PLS) and Support Vector Machine (SVM). We identified 269 transdermal peptides by the phage display technique and use them as the positive controls to develop and test machine learning models. Combinations of three descriptors with neural network architectures, the number of latent variables and the kernel functions are tried in training to make appropriate predictions. The capacity of models is evaluated by means of statistical indicators including sensitivity, specificity, and the area under the receiver operating characteristic curve (ROC score). In the ROC score-based comparison, three methods proved capable of providing a reasonable prediction of transdermal peptide. The best result is obtained by SVM model with a radial basis function and VHSE descriptors. The results indicate that it is possible to discriminate between transdermal peptides and random sequences using our models. We anticipate that our models will be applicable to prediction of transdermal peptide for large peptide database for facilitating efficient transdermal drug delivery through intact skin.

Machine-Learning Techniques for the Determination of Attrition of Forces Due to Atmospheric Conditions

DTIC Science & Technology

2018-02-01

the possibility of a correlation between aircraft incidents in the National Transportation Safety Board database and meteorological conditions. If a...strong correlation could be found, it could be used to derive a model to predict aircraft incidents and become part of a decision support tool for...techniques, primarily the random forest algorithm, were used to explore the possibility of a correlation between aircraft incidents in the National

Studying the Sky/Planets Can Drown You in Images: Machine Learning Solutions at JPL/Caltech

NASA Technical Reports Server (NTRS)

Fayyad, U. M.

1995-01-01

JPL is working to develop a domain-independent system capable of small-scale object recognition in large image databases for science analysis. Two applications discussed are the cataloging of three billion sky objects in the Sky Image Cataloging and Analysis Tool (SKICAT) and the detection of possibly one million small volcanoes visible in the Magellan synthetic aperture radar images of Venus (JPL Adaptive Recognition Tool, JARTool).

Automated Quality Assessment of Structural Magnetic Resonance Brain Images Based on a Supervised Machine Learning Algorithm.

PubMed

Pizarro, Ricardo A; Cheng, Xi; Barnett, Alan; Lemaitre, Herve; Verchinski, Beth A; Goldman, Aaron L; Xiao, Ena; Luo, Qian; Berman, Karen F; Callicott, Joseph H; Weinberger, Daniel R; Mattay, Venkata S

2016-01-01

High-resolution three-dimensional magnetic resonance imaging (3D-MRI) is being increasingly used to delineate morphological changes underlying neuropsychiatric disorders. Unfortunately, artifacts frequently compromise the utility of 3D-MRI yielding irreproducible results, from both type I and type II errors. It is therefore critical to screen 3D-MRIs for artifacts before use. Currently, quality assessment involves slice-wise visual inspection of 3D-MRI volumes, a procedure that is both subjective and time consuming. Automating the quality rating of 3D-MRI could improve the efficiency and reproducibility of the procedure. The present study is one of the first efforts to apply a support vector machine (SVM) algorithm in the quality assessment of structural brain images, using global and region of interest (ROI) automated image quality features developed in-house. SVM is a supervised machine-learning algorithm that can predict the category of test datasets based on the knowledge acquired from a learning dataset. The performance (accuracy) of the automated SVM approach was assessed, by comparing the SVM-predicted quality labels to investigator-determined quality labels. The accuracy for classifying 1457 3D-MRI volumes from our database using the SVM approach is around 80%. These results are promising and illustrate the possibility of using SVM as an automated quality assessment tool for 3D-MRI.

SubCellProt: predicting protein subcellular localization using machine learning approaches.

PubMed

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

2009-01-01

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

Artificial Intelligence approaches in hematopoietic cell transplant: A review of the current status and future directions.

PubMed

Muhsen, Ibrahim N; ElHassan, Tusneem; Hashmi, Shahrukh K

2018-06-08

Currently, the evidence-based literature on healthcare is expanding exponentially. The opportunities provided by the advancement in artificial intelligence (AI) tools i.e. machine learning are appealing in tackling many of the current healthcare challenges. Thus, AI integration is expanding in most fields of healthcare, including the field of hematology. This study aims to review the current applications of AI in the field hematopoietic cell transplant (HCT). Literature search was done involving the following databases: Ovid-Medline including in-Process and Other Non-Indexed Citations and google scholar. The abstracts of the following professional societies: American Society of Haematology (ASH), American Society for Blood and Marrow Transplantation (ASBMT) and European Society for Blood and Marrow Transplantation (EBMT) were also screened. Literature review showed that the integration of AI in the field of HCT has grown remarkably in the last decade and confers promising avenues in diagnosis and prognosis within HCT populations targeting both pre and post-transplant challenges. Studies on AI integration in HCT have many limitations that include poorly tested algorithms, lack of generalizability and limited use of different AI tools. Machine learning techniques in HCT is an intense area of research that needs a lot of development and needs extensive support from hematology and HCT societies / organizations globally since we believe that this would be the future practice paradigm. Key words: Artificial intelligence, machine learning, hematopoietic cell transplant.

Type 2 Diabetes Screening Test by Means of a Pulse Oximeter.

PubMed

Moreno, Enrique Monte; Lujan, Maria Jose Anyo; Rusinol, Montse Torrres; Fernandez, Paqui Juarez; Manrique, Pilar Nunez; Trivino, Cristina Aragon; Miquel, Magda Pedrosa; Rodriguez, Marife Alvarez; Burguillos, M Jose Gonzalez

2017-02-01

In this paper, we propose a method for screening for the presence of type 2 diabetes by means of the signal obtained from a pulse oximeter. The screening system consists of two parts: the first analyzes the signal obtained from the pulse oximeter, and the second consists of a machine-learning module. The system consists of a front end that extracts a set of features form the pulse oximeter signal. These features are based on physiological considerations. The set of features were the input of a machine-learning algorithm that determined the class of the input sample, i.e., whether the subject had diabetes or not. The machine-learning algorithms were random forests, gradient boosting, and linear discriminant analysis as benchmark. The system was tested on a database of [Formula: see text] subjects (two samples per subject) collected from five community health centers. The mean receiver operating characteristic area found was [Formula: see text]% (median value [Formula: see text]% and range [Formula: see text]%), with a specificity =  [Formula: see text]% for a threshold that gave a sensitivity = [Formula: see text]%. We present a screening method for detecting diabetes that has a performance comparable to the glycated haemoglobin (haemoglobin A1c HbA1c) test, does not require blood extraction, and yields results in less than 5 min.

Quality of clinical brain tumor MR spectra judged by humans and machine learning tools.

PubMed

Kyathanahally, Sreenath P; Mocioiu, Victor; Pedrosa de Barros, Nuno; Slotboom, Johannes; Wright, Alan J; Julià-Sapé, Margarida; Arús, Carles; Kreis, Roland

2018-05-01

To investigate and compare human judgment and machine learning tools for quality assessment of clinical MR spectra of brain tumors. A very large set of 2574 single voxel spectra with short and long echo time from the eTUMOUR and INTERPRET databases were used for this analysis. Original human quality ratings from these studies as well as new human guidelines were used to train different machine learning algorithms for automatic quality control (AQC) based on various feature extraction methods and classification tools. The performance was compared with variance in human judgment. AQC built using the RUSBoost classifier that combats imbalanced training data performed best. When furnished with a large range of spectral and derived features where the most crucial ones had been selected by the TreeBagger algorithm it showed better specificity (98%) in judging spectra from an independent test-set than previously published methods. Optimal performance was reached with a virtual three-class ranking system. Our results suggest that feature space should be relatively large for the case of MR tumor spectra and that three-class labels may be beneficial for AQC. The best AQC algorithm showed a performance in rejecting spectra that was comparable to that of a panel of human expert spectroscopists. Magn Reson Med 79:2500-2510, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

SkyDOT: a publicly accessible variability database, containing multiple sky surveys and real-time data

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

Starr, D. L.; Wozniak, P. R.; Vestrand, W. T.

2002-01-01

SkyDOT (Sky Database for Objects in Time-Domain) is a Virtual Observatory currently comprised of data from the RAPTOR, ROTSE I, and OGLE I1 survey projects. This makes it a very large time domain database. In addition, the RAPTOR project provides SkyDOT with real-time variability data as well as stereoscopic information. With its web interface, we believe SkyDOT will be a very useful tool for both astronomers, and the public. Our main task has been to construct an efficient relational database containing all existing data, while handling a real-time inflow of data. We also provide a useful web interface allowing easymore » access to both astronomers and the public. Initially, this server will allow common searches, specific queries, and access to light curves. In the future we will include machine learning classification tools and access to spectral information.« less

A Bayesian Active Learning Experimental Design for Inferring Signaling Networks.

PubMed

Ness, Robert O; Sachs, Karen; Mallick, Parag; Vitek, Olga

2018-06-21

Machine learning methods for learning network structure are applied to quantitative proteomics experiments and reverse-engineer intracellular signal transduction networks. They provide insight into the rewiring of signaling within the context of a disease or a phenotype. To learn the causal patterns of influence between proteins in the network, the methods require experiments that include targeted interventions that fix the activity of specific proteins. However, the interventions are costly and add experimental complexity. We describe an active learning strategy for selecting optimal interventions. Our approach takes as inputs pathway databases and historic data sets, expresses them in form of prior probability distributions on network structures, and selects interventions that maximize their expected contribution to structure learning. Evaluations on simulated and real data show that the strategy reduces the detection error of validated edges as compared with an unguided choice of interventions and avoids redundant interventions, thereby increasing the effectiveness of the experiment.

Predicting drug-target interactions using restricted Boltzmann machines.

PubMed

Wang, Yuhao; Zeng, Jianyang

2013-07-01

In silico prediction of drug-target interactions plays an important role toward identifying and developing new uses of existing or abandoned drugs. Network-based approaches have recently become a popular tool for discovering new drug-target interactions (DTIs). Unfortunately, most of these network-based approaches can only predict binary interactions between drugs and targets, and information about different types of interactions has not been well exploited for DTI prediction in previous studies. On the other hand, incorporating additional information about drug-target relationships or drug modes of action can improve prediction of DTIs. Furthermore, the predicted types of DTIs can broaden our understanding about the molecular basis of drug action. We propose a first machine learning approach to integrate multiple types of DTIs and predict unknown drug-target relationships or drug modes of action. We cast the new DTI prediction problem into a two-layer graphical model, called restricted Boltzmann machine, and apply a practical learning algorithm to train our model and make predictions. Tests on two public databases show that our restricted Boltzmann machine model can effectively capture the latent features of a DTI network and achieve excellent performance on predicting different types of DTIs, with the area under precision-recall curve up to 89.6. In addition, we demonstrate that integrating multiple types of DTIs can significantly outperform other predictions either by simply mixing multiple types of interactions without distinction or using only a single interaction type. Further tests show that our approach can infer a high fraction of novel DTIs that has been validated by known experiments in the literature or other databases. These results indicate that our approach can have highly practical relevance to DTI prediction and drug repositioning, and hence advance the drug discovery process. Software and datasets are available on request. Supplementary data are available at Bioinformatics online.

Evaluation of an Integrated Multi-Task Machine Learning System with Humans in the Loop

DTIC Science & Technology

2007-01-01

machine learning components natural language processing, and optimization...was examined with a test explicitly developed to measure the impact of integrated machine learning when used by a human user in a real world setting...study revealed that integrated machine learning does produce a positive impact on overall performance. This paper also discusses how specific machine learning components contributed to human-system

Galaxy Classifications with Deep Learning

NASA Astrophysics Data System (ADS)

Lukic, Vesna; Brüggen, Marcus

2017-06-01

Machine learning techniques have proven to be increasingly useful in astronomical applications over the last few years, for example in object classification, estimating redshifts and data mining. One example of object classification is classifying galaxy morphology. This is a tedious task to do manually, especially as the datasets become larger with surveys that have a broader and deeper search-space. The Kaggle Galaxy Zoo competition presented the challenge of writing an algorithm to find the probability that a galaxy belongs in a particular class, based on SDSS optical spectroscopy data. The use of convolutional neural networks (convnets), proved to be a popular solution to the problem, as they have also produced unprecedented classification accuracies in other image databases such as the database of handwritten digits (MNIST †) and large database of images (CIFAR ‡). We experiment with the convnets that comprised the winning solution, but using broad classifications. The effect of changing the number of layers is explored, as well as using a different activation function, to help in developing an intuition of how the networks function and to see how they can be applied to radio galaxy images.

Quantum machine learning.

PubMed

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.

Quantum machine learning

NASA Astrophysics Data System (ADS)

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

2017-09-01

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.

Proceedings of the Seventh International Symposium on Methodologies for Intelligent Systems (Poster Session)

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

Harber, K.S.

1993-05-01

This report contains the following papers: Implications in vivid logic; a self-learning bayesian expert system; a natural language generation system for a heterogeneous distributed database system; competence-switching'' managed by intelligent systems; strategy acquisition by an artificial neural network: Experiments in learning to play a stochastic game; viewpoints and selective inheritance in object-oriented modeling; multivariate discretization of continuous attributes for machine learning; utilization of the case-based reasoning method to resolve dynamic problems; formalization of an ontology of ceramic science in CLASSIC; linguistic tools for intelligent systems; an application of rough sets in knowledge synthesis; and a relational model for imprecise queries.more » These papers have been indexed separately.« less

Proceedings of the Seventh International Symposium on Methodologies for Intelligent Systems (Poster Session)

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

Harber, K.S.

1993-05-01

This report contains the following papers: Implications in vivid logic; a self-learning Bayesian Expert System; a natural language generation system for a heterogeneous distributed database system; ``competence-switching`` managed by intelligent systems; strategy acquisition by an artificial neural network: Experiments in learning to play a stochastic game; viewpoints and selective inheritance in object-oriented modeling; multivariate discretization of continuous attributes for machine learning; utilization of the case-based reasoning method to resolve dynamic problems; formalization of an ontology of ceramic science in CLASSIC; linguistic tools for intelligent systems; an application of rough sets in knowledge synthesis; and a relational model for imprecise queries.more » These papers have been indexed separately.« less

P09.62 Towards individualized survival prediction in glioblastoma patients using machine learning methods

PubMed Central

Vera, L.; Pérez-Beteta, J.; Molina, D.; Borrás, J. M.; Benavides, M.; Barcia, J. A.; Velásquez, C.; Albillo, D.; Lara, P.; Pérez-García, V. M.

2017-01-01

Abstract Introduction: Machine learning methods are integrated in clinical research studies due to their strong capability to discover parameters having a high information content and their predictive combined potential. Several studies have been developed using glioblastoma patient’s imaging data. Many of them have focused on including large numbers of variables, mostly two-dimensional textural features and/or genomic data, regardless of their meaning or potential clinical relevance. Materials and methods: 193 glioblastoma patients were included in the study. Preoperative 3D magnetic resonance images were collected and semi-automatically segmented using an in-house software. After segmentation, a database of 90 parameters including geometrical and textural image-based measures together with patients’ clinical data (including age, survival, type of treatment, etc.) was constructed. The criterion for including variables in the study was that they had either shown individual impact on survival in single or multivariate analyses or have a precise clinical or geometrical meaning. These variables were used to perform several machine learning experiments. In a first set of computational cross-validation experiments based on regression trees, those attributes showing the highest information measures were extracted. In the second phase, more sophisticated learning methods were employed in order to validate the potential of the previous variables predicting survival. Concretely support vector machines, neural networks and sparse grid methods were used. Results: Variables showing high information measure in the first phase provided the best prediction results in the second phase. Specifically, patient age, Stupp regimen and a geometrical measure related with the irregularity of contrast-enhancing areas were the variables showing the highest information measure in the first stage. For the second phase, the combinations of patient age and Stupp regimen together with one tumor geometrical measure and one tumor heterogeneity feature reached the best quality prediction. Conclusions: Advanced machine learning methods identified the parameters with the highest information measure and survival predictive potential. The uninformed machine learning methods identified a novel feature measure with direct impact on survival. Used in combination with other previously known variables multi-indexes can be defined that can help in tumor characterization and prognosis prediction. Recent advances on the definition of those multi-indexes will be reported in the conference. Funding: James S. Mc. Donnell Foundation (USA) 21st Century Science Initiative in Mathematical and Complex Systems Approaches for Brain Cancer [Collaborative award 220020450 and planning grant 220020420], MINECO/FEDER [MTM2015-71200-R], JCCM [PEII-2014-031-P].

Dropout Prediction in E-Learning Courses through the Combination of Machine Learning Techniques

ERIC Educational Resources Information Center

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…

Electronic spectra from TDDFT and machine learning in chemical space

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

Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For amore » training set of 10 000 molecules, CC2 excitation energies can be reproduced to within +/- 0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.« less

Detection of pigment network in dermoscopy images using supervised machine learning and structural analysis.

PubMed

García Arroyo, Jose Luis; García Zapirain, Begoña

2014-01-01

By means of this study, a detection algorithm for the "pigment network" in dermoscopic images is presented, one of the most relevant indicators in the diagnosis of melanoma. The design of the algorithm consists of two blocks. In the first one, a machine learning process is carried out, allowing the generation of a set of rules which, when applied over the image, permit the construction of a mask with the pixels candidates to be part of the pigment network. In the second block, an analysis of the structures over this mask is carried out, searching for those corresponding to the pigment network and making the diagnosis, whether it has pigment network or not, and also generating the mask corresponding to this pattern, if any. The method was tested against a database of 220 images, obtaining 86% sensitivity and 81.67% specificity, which proves the reliability of the algorithm. © 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

Smart Point Cloud: Definition and Remaining Challenges

NASA Astrophysics Data System (ADS)

Poux, F.; Hallot, P.; Neuville, R.; Billen, R.

2016-10-01

Dealing with coloured point cloud acquired from terrestrial laser scanner, this paper identifies remaining challenges for a new data structure: the smart point cloud. This concept arises with the statement that massive and discretized spatial information from active remote sensing technology is often underused due to data mining limitations. The generalisation of point cloud data associated with the heterogeneity and temporality of such datasets is the main issue regarding structure, segmentation, classification, and interaction for an immediate understanding. We propose to use both point cloud properties and human knowledge through machine learning to rapidly extract pertinent information, using user-centered information (smart data) rather than raw data. A review of feature detection, machine learning frameworks and database systems indexed both for mining queries and data visualisation is studied. Based on existing approaches, we propose a new 3-block flexible framework around device expertise, analytic expertise and domain base reflexion. This contribution serves as the first step for the realisation of a comprehensive smart point cloud data structure.

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

PubMed Central

Kusne, Aaron Gilad; Gao, Tieren; Mehta, Apurva; Ke, Liqin; Nguyen, Manh Cuong; Ho, Kai-Ming; Antropov, Vladimir; Wang, Cai-Zhuang; Kramer, Matthew J.; Long, Christian; Takeuchi, Ichiro

2014-01-01

Advanced materials characterization techniques with ever-growing data acquisition speed and storage capabilities represent a challenge in modern materials science, and new procedures to quickly assess and analyze the data are needed. Machine learning approaches are effective in reducing the complexity of data and rapidly homing in on the underlying trend in multi-dimensional data. Here, we show that by employing an algorithm called the mean shift theory to a large amount of diffraction data in high-throughput experimentation, one can streamline the process of delineating the structural evolution across compositional variations mapped on combinatorial libraries with minimal computational cost. Data collected at a synchrotron beamline are analyzed on the fly, and by integrating experimental data with the inorganic crystal structure database (ICSD), we can substantially enhance the accuracy in classifying the structural phases across ternary phase spaces. We have used this approach to identify a novel magnetic phase with enhanced magnetic anisotropy which is a candidate for rare-earth free permanent magnet. PMID:25220062

A self-organized learning strategy for object recognition by an embedded line of attraction

NASA Astrophysics Data System (ADS)

Seow, Ming-Jung; Alex, Ann T.; Asari, Vijayan K.

2012-04-01

For humans, a picture is worth a thousand words, but to a machine, it is just a seemingly random array of numbers. Although machines are very fast and efficient, they are vastly inferior to humans for everyday information processing. Algorithms that mimic the way the human brain computes and learns may be the solution. In this paper we present a theoretical model based on the observation that images of similar visual perceptions reside in a complex manifold in an image space. The perceived features are often highly structured and hidden in a complex set of relationships or high-dimensional abstractions. To model the pattern manifold, we present a novel learning algorithm using a recurrent neural network. The brain memorizes information using a dynamical system made of interconnected neurons. Retrieval of information is accomplished in an associative sense. It starts from an arbitrary state that might be an encoded representation of a visual image and converges to another state that is stable. The stable state is what the brain remembers. In designing a recurrent neural network, it is usually of prime importance to guarantee the convergence in the dynamics of the network. We propose to modify this picture: if the brain remembers by converging to the state representing familiar patterns, it should also diverge from such states when presented with an unknown encoded representation of a visual image belonging to a different category. That is, the identification of an instability mode is an indication that a presented pattern is far away from any stored pattern and therefore cannot be associated with current memories. These properties can be used to circumvent the plasticity-stability dilemma by using the fluctuating mode as an indicator to create new states. We capture this behavior using a novel neural architecture and learning algorithm, in which the system performs self-organization utilizing a stability mode and an instability mode for the dynamical system. Based on this observation we developed a self- organizing line attractor, which is capable of generating new lines in the feature space to learn unrecognized patterns. Experiments performed on UMIST pose database and CMU face expression variant database for face recognition have shown that the proposed nonlinear line attractor is able to successfully identify the individuals and it provided better recognition rate when compared to the state of the art face recognition techniques. Experiments on FRGC version 2 database has also provided excellent recognition rate in images captured in complex lighting environments. Experiments performed on the Japanese female face expression database and Essex Grimace database using the self organizing line attractor have also shown successful expression invariant face recognition. These results show that the proposed model is able to create nonlinear manifolds in a multidimensional feature space to distinguish complex patterns.

An exploratory study of a text classification framework for Internet-based surveillance of emerging epidemics

PubMed Central

Torii, Manabu; Yin, Lanlan; Nguyen, Thang; Mazumdar, Chand T.; Liu, Hongfang; Hartley, David M.; Nelson, Noele P.

2014-01-01

Purpose Early detection of infectious disease outbreaks is crucial to protecting the public health of a society. Online news articles provide timely information on disease outbreaks worldwide. In this study, we investigated automated detection of articles relevant to disease outbreaks using machine learning classifiers. In a real-life setting, it is expensive to prepare a training data set for classifiers, which usually consists of manually labeled relevant and irrelevant articles. To mitigate this challenge, we examined the use of randomly sampled unlabeled articles as well as labeled relevant articles. Methods Naïve Bayes and Support Vector Machine (SVM) classifiers were trained on 149 relevant and 149 or more randomly sampled unlabeled articles. Diverse classifiers were trained by varying the number of sampled unlabeled articles and also the number of word features. The trained classifiers were applied to 15 thousand articles published over 15 days. Top-ranked articles from each classifier were pooled and the resulting set of 1337 articles was reviewed by an expert analyst to evaluate the classifiers. Results Daily averages of areas under ROC curves (AUCs) over the 15-day evaluation period were 0.841 and 0.836, respectively, for the naïve Bayes and SVM classifier. We referenced a database of disease outbreak reports to confirm that this evaluation data set resulted from the pooling method indeed covered incidents recorded in the database during the evaluation period. Conclusions The proposed text classification framework utilizing randomly sampled unlabeled articles can facilitate a cost-effective approach to training machine learning classifiers in a real-life Internet-based biosurveillance project. We plan to examine this framework further using larger data sets and using articles in non-English languages. PMID:21134784

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

PubMed Central

2011-01-01

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 efficient development of highly accurate QSAR models fulfilling regulatory requirements. PMID:21798025

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

PubMed

Stålring, Jonna C; Carlsson, Lars A; Almeida, Pedro; Boyer, Scott

2011-07-28

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. 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. AZOrange is a step towards meeting the needs for an Open Source high performance machine learning platform, supporting the efficient development of highly accurate QSAR models fulfilling regulatory requirements.

The Efficacy of Machine Learning Programs for Navy Manpower Analysis

DTIC Science & Technology

1993-03-01

This thesis investigated the efficacy of two machine learning programs for Navy manpower analysis. Two machine learning programs, AIM and IXL, were...to generate models from the two commercial machine learning programs. Using a held out sub-set of the data the capabilities of the three models were...partial effects. The author recommended further investigation of AIM’s capabilities, and testing in an operational environment.... Machine learning , AIM, IXL.

Graphical user interfaces for symbol-oriented database visualization and interaction

NASA Astrophysics Data System (ADS)

Brinkschulte, Uwe; Siormanolakis, Marios; Vogelsang, Holger

1997-04-01

In this approach, two basic services designed for the engineering of computer based systems are combined: a symbol-oriented man-machine-service and a high speed database-service. The man-machine service is used to build graphical user interfaces (GUIs) for the database service; these interfaces are stored using the database service. The idea is to create a GUI-builder and a GUI-manager for the database service based upon the man-machine service using the concept of symbols. With user-definable and predefined symbols, database contents can be visualized and manipulated in a very flexible and intuitive way. Using the GUI-builder and GUI-manager, a user can build and operate its own graphical user interface for a given database according to its needs without writing a single line of code.

The Security of Machine Learning

DTIC Science & Technology

2008-04-24

Machine learning has become a fundamental tool for computer security, since it can rapidly evolve to changing and complex situations. That...adaptability is also a vulnerability: attackers can exploit machine learning systems. We present a taxonomy identifying and analyzing attacks against machine ...We use our framework to survey and analyze the literature of attacks against machine learning systems. We also illustrate our taxonomy by showing

First Trimester Noninvasive Prenatal Diagnosis: A Computational Intelligence Approach.

PubMed

Neocleous, Andreas C; Nicolaides, Kypros H; Schizas, Christos N

2016-09-01

The objective of this study is to examine the potential value of using machine learning techniques such as artificial neural network (ANN) schemes for the noninvasive estimation, at 11-13 weeks of gestation, the risk for euploidy, trisomy 21 (T21), and other chromosomal aneuploidies (O.C.A.), from suitable sonographic, biochemical markers, and other relevant data. A database(1) (1)The dataset can become available for academic purposes by communicating directly with the authors.

Epileptic seizure predictors based on computational intelligence techniques: a comparative study with 278 patients.

PubMed

Alexandre Teixeira, César; Direito, Bruno; Bandarabadi, Mojtaba; Le Van Quyen, Michel; Valderrama, Mario; Schelter, Bjoern; Schulze-Bonhage, Andreas; Navarro, Vincent; Sales, Francisco; Dourado, António

2014-05-01

The ability of computational intelligence methods to predict epileptic seizures is evaluated in long-term EEG recordings of 278 patients suffering from pharmaco-resistant partial epilepsy, also known as refractory epilepsy. This extensive study in seizure prediction considers the 278 patients from the European Epilepsy Database, collected in three epilepsy centres: Hôpital Pitié-là-Salpêtrière, Paris, France; Universitätsklinikum Freiburg, Germany; Centro Hospitalar e Universitário de Coimbra, Portugal. For a considerable number of patients it was possible to find a patient specific predictor with an acceptable performance, as for example predictors that anticipate at least half of the seizures with a rate of false alarms of no more than 1 in 6 h (0.15 h⁻¹). We observed that the epileptic focus localization, data sampling frequency, testing duration, number of seizures in testing, type of machine learning, and preictal time influence significantly the prediction performance. The results allow to face optimistically the feasibility of a patient specific prospective alarming system, based on machine learning techniques by considering the combination of several univariate (single-channel) electroencephalogram features. We envisage that this work will serve as benchmark data that will be of valuable importance for future studies based on the European Epilepsy Database. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Entanglement-Based Machine Learning on a Quantum Computer

NASA Astrophysics Data System (ADS)

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.

2015-03-01

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.

Applied learning-based color tone mapping for face recognition in video surveillance system

NASA Astrophysics Data System (ADS)

Yew, Chuu Tian; Suandi, Shahrel Azmin

2012-04-01

In this paper, we present an applied learning-based color tone mapping technique for video surveillance system. This technique can be applied onto both color and grayscale surveillance images. The basic idea is to learn the color or intensity statistics from a training dataset of photorealistic images of the candidates appeared in the surveillance images, and remap the color or intensity of the input image so that the color or intensity statistics match those in the training dataset. It is well known that the difference in commercial surveillance cameras models, and signal processing chipsets used by different manufacturers will cause the color and intensity of the images to differ from one another, thus creating additional challenges for face recognition in video surveillance system. Using Multi-Class Support Vector Machines as the classifier on a publicly available video surveillance camera database, namely SCface database, this approach is validated and compared to the results of using holistic approach on grayscale images. The results show that this technique is suitable to improve the color or intensity quality of video surveillance system for face recognition.

A Recommender System in the Cyber Defense Domain

DTIC Science & Technology

2014-03-27

monitoring software is a java based program sending updates to the database on the sensor machine. The host monitoring program gathers information about...3.2.2 Database. A MySQL database located on the sensor machine acts as the storage for the sensors on the network. Snort, Nmap, vulnerability scores, and...machine with the IDS and the recommender is labeled “sensor”. The recommender system code is written in java and compiled using java version 1.6.024

Computer aided lung cancer diagnosis with deep learning algorithms

NASA Astrophysics Data System (ADS)

Sun, Wenqing; Zheng, Bin; Qian, Wei

2016-03-01

Deep learning is considered as a popular and powerful method in pattern recognition and classification. However, there are not many deep structured applications used in medical imaging diagnosis area, because large dataset is not always available for medical images. In this study we tested the feasibility of using deep learning algorithms for lung cancer diagnosis with the cases from Lung Image Database Consortium (LIDC) database. The nodules on each computed tomography (CT) slice were segmented according to marks provided by the radiologists. After down sampling and rotating we acquired 174412 samples with 52 by 52 pixel each and the corresponding truth files. Three deep learning algorithms were designed and implemented, including Convolutional Neural Network (CNN), Deep Belief Networks (DBNs), Stacked Denoising Autoencoder (SDAE). To compare the performance of deep learning algorithms with traditional computer aided diagnosis (CADx) system, we designed a scheme with 28 image features and support vector machine. The accuracies of CNN, DBNs, and SDAE are 0.7976, 0.8119, and 0.7929, respectively; the accuracy of our designed traditional CADx is 0.7940, which is slightly lower than CNN and DBNs. We also noticed that the mislabeled nodules using DBNs are 4% larger than using traditional CADx, this might be resulting from down sampling process lost some size information of the nodules.

Machine Learning in Computer-Aided Synthesis Planning.

PubMed

Coley, Connor W; Green, William H; Jensen, Klavs F

2018-05-15

Computer-aided synthesis planning (CASP) is focused on the goal of accelerating the process by which chemists decide how to synthesize small molecule compounds. The ideal CASP program would take a molecular structure as input and output a sorted list of detailed reaction schemes that each connect that target to purchasable starting materials via a series of chemically feasible reaction steps. Early work in this field relied on expert-crafted reaction rules and heuristics to describe possible retrosynthetic disconnections and selectivity rules but suffered from incompleteness, infeasible suggestions, and human bias. With the relatively recent availability of large reaction corpora (such as the United States Patent and Trademark Office (USPTO), Reaxys, and SciFinder databases), consisting of millions of tabulated reaction examples, it is now possible to construct and validate purely data-driven approaches to synthesis planning. As a result, synthesis planning has been opened to machine learning techniques, and the field is advancing rapidly. In this Account, we focus on two critical aspects of CASP and recent machine learning approaches to both challenges. First, we discuss the problem of retrosynthetic planning, which requires a recommender system to propose synthetic disconnections starting from a target molecule. We describe how the search strategy, necessary to overcome the exponential growth of the search space with increasing number of reaction steps, can be assisted through a learned synthetic complexity metric. We also describe how the recursive expansion can be performed by a straightforward nearest neighbor model that makes clever use of reaction data to generate high quality retrosynthetic disconnections. Second, we discuss the problem of anticipating the products of chemical reactions, which can be used to validate proposed reactions in a computer-generated synthesis plan (i.e., reduce false positives) to increase the likelihood of experimental success. While we introduce this task in the context of reaction validation, its utility extends to the prediction of side products and impurities, among other applications. We describe neural network-based approaches that we and others have developed for this forward prediction task that can be trained on previously published experimental data. Machine learning and artificial intelligence have revolutionized a number of disciplines, not limited to image recognition, dictation, translation, content recommendation, advertising, and autonomous driving. While there is a rich history of using machine learning for structure-activity models in chemistry, it is only now that it is being successfully applied more broadly to organic synthesis and synthesis design. As reported in this Account, machine learning is rapidly transforming CASP, but there are several remaining challenges and opportunities, many pertaining to the availability and standardization of both data and evaluation metrics, which must be addressed by the community at large.

A Machine Learning and Optimization Toolkit for the Swarm

DTIC Science & Technology

2014-11-17

Machine   Learning  and  Op0miza0on   Toolkit  for  the  Swarm   Ilge  Akkaya,  Shuhei  Emoto...3. DATES COVERED 00-00-2014 to 00-00-2014 4. TITLE AND SUBTITLE A Machine Learning and Optimization Toolkit for the Swarm 5a. CONTRACT NUMBER... machine   learning   methodologies  by  providing  the  right  interfaces  between   machine   learning  tools  and

Machine Learning Methods for Analysis of Metabolic Data and Metabolic Pathway Modeling

PubMed Central

Cuperlovic-Culf, Miroslava

2018-01-01

Machine learning uses experimental data to optimize clustering or classification of samples or features, or to develop, augment or verify models that can be used to predict behavior or properties of systems. It is expected that machine learning will help provide actionable knowledge from a variety of big data including metabolomics data, as well as results of metabolism models. A variety of machine learning methods has been applied in bioinformatics and metabolism analyses including self-organizing maps, support vector machines, the kernel machine, Bayesian networks or fuzzy logic. To a lesser extent, machine learning has also been utilized to take advantage of the increasing availability of genomics and metabolomics data for the optimization of metabolic network models and their analysis. In this context, machine learning has aided the development of metabolic networks, the calculation of parameters for stoichiometric and kinetic models, as well as the analysis of major features in the model for the optimal application of bioreactors. Examples of this very interesting, albeit highly complex, application of machine learning for metabolism modeling will be the primary focus of this review presenting several different types of applications for model optimization, parameter determination or system analysis using models, as well as the utilization of several different types of machine learning technologies. PMID:29324649

Machine Learning Methods for Analysis of Metabolic Data and Metabolic Pathway Modeling.

PubMed

Cuperlovic-Culf, Miroslava

2018-01-11

Machine learning uses experimental data to optimize clustering or classification of samples or features, or to develop, augment or verify models that can be used to predict behavior or properties of systems. It is expected that machine learning will help provide actionable knowledge from a variety of big data including metabolomics data, as well as results of metabolism models. A variety of machine learning methods has been applied in bioinformatics and metabolism analyses including self-organizing maps, support vector machines, the kernel machine, Bayesian networks or fuzzy logic. To a lesser extent, machine learning has also been utilized to take advantage of the increasing availability of genomics and metabolomics data for the optimization of metabolic network models and their analysis. In this context, machine learning has aided the development of metabolic networks, the calculation of parameters for stoichiometric and kinetic models, as well as the analysis of major features in the model for the optimal application of bioreactors. Examples of this very interesting, albeit highly complex, application of machine learning for metabolism modeling will be the primary focus of this review presenting several different types of applications for model optimization, parameter determination or system analysis using models, as well as the utilization of several different types of machine learning technologies.

Selective Transfer Machine for Personalized Facial Action Unit Detection

PubMed Central

Chu, Wen-Sheng; De la Torre, Fernando; Cohn, Jeffery F.

2014-01-01

Automatic facial action unit (AFA) detection from video is a long-standing problem in facial expression analysis. Most approaches emphasize choices of features and classifiers. They neglect individual differences in target persons. People vary markedly in facial morphology (e.g., heavy versus delicate brows, smooth versus deeply etched wrinkles) and behavior. Individual differences can dramatically influence how well generic classifiers generalize to previously unseen persons. While a possible solution would be to train person-specific classifiers, that often is neither feasible nor theoretically compelling. The alternative that we propose is to personalize a generic classifier in an unsupervised manner (no additional labels for the test subjects are required). We introduce a transductive learning method, which we refer to Selective Transfer Machine (STM), to personalize a generic classifier by attenuating person-specific biases. STM achieves this effect by simultaneously learning a classifier and re-weighting the training samples that are most relevant to the test subject. To evaluate the effectiveness of STM, we compared STM to generic classifiers and to cross-domain learning methods in three major databases: CK+ [20], GEMEP-FERA [32] and RU-FACS [2]. STM outperformed generic classifiers in all. PMID:25242877

Efficient nonparametric n -body force fields from machine learning

NASA Astrophysics Data System (ADS)

Glielmo, Aldo; Zeni, Claudio; De Vita, Alessandro

2018-05-01

We provide a definition and explicit expressions for n -body Gaussian process (GP) kernels, which can learn any interatomic interaction occurring in a physical system, up to n -body contributions, for any value of n . The series is complete, as it can be shown that the "universal approximator" squared exponential kernel can be written as a sum of n -body kernels. These recipes enable the choice of optimally efficient force models for each target system, as confirmed by extensive testing on various materials. We furthermore describe how the n -body kernels can be "mapped" on equivalent representations that provide database-size-independent predictions and are thus crucially more efficient. We explicitly carry out this mapping procedure for the first nontrivial (three-body) kernel of the series, and we show that this reproduces the GP-predicted forces with meV /Å accuracy while being orders of magnitude faster. These results pave the way to using novel force models (here named "M-FFs") that are computationally as fast as their corresponding standard parametrized n -body force fields, while retaining the nonparametric character, the ease of training and validation, and the accuracy of the best recently proposed machine-learning potentials.

A machine learning model with human cognitive biases capable of learning from small and biased datasets.

PubMed

Taniguchi, Hidetaka; Sato, Hiroshi; Shirakawa, Tomohiro

2018-05-09

Human learners can generalize a new concept from a small number of samples. In contrast, conventional machine learning methods require large amounts of data to address the same types of problems. Humans have cognitive biases that promote fast learning. Here, we developed a method to reduce the gap between human beings and machines in this type of inference by utilizing cognitive biases. We implemented a human cognitive model into machine learning algorithms and compared their performance with the currently most popular methods, naïve Bayes, support vector machine, neural networks, logistic regression and random forests. We focused on the task of spam classification, which has been studied for a long time in the field of machine learning and often requires a large amount of data to obtain high accuracy. Our models achieved superior performance with small and biased samples in comparison with other representative machine learning methods.

Machine learning: novel bioinformatics approaches for combating antimicrobial resistance.

PubMed

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

2017-12-01

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.

Next-Generation Machine Learning for Biological Networks.

PubMed

Camacho, Diogo M; Collins, Katherine M; Powers, Rani K; Costello, James C; Collins, James J

2018-06-14

Machine learning, a collection of data-analytical techniques aimed at building predictive models from multi-dimensional datasets, is becoming integral to modern biological research. By enabling one to generate models that learn from large datasets and make predictions on likely outcomes, machine learning can be used to study complex cellular systems such as biological networks. Here, we provide a primer on machine learning for life scientists, including an introduction to deep learning. We discuss opportunities and challenges at the intersection of machine learning and network biology, which could impact disease biology, drug discovery, microbiome research, and synthetic biology. Copyright © 2018 Elsevier Inc. All rights reserved.

Comparison between extreme learning machine and wavelet neural networks in data classification

NASA Astrophysics Data System (ADS)

Yahia, Siwar; Said, Salwa; Jemai, Olfa; Zaied, Mourad; Ben Amar, Chokri

2017-03-01

Extreme learning Machine is a well known learning algorithm in the field of machine learning. It's about a feed forward neural network with a single-hidden layer. It is an extremely fast learning algorithm with good generalization performance. In this paper, we aim to compare the Extreme learning Machine with wavelet neural networks, which is a very used algorithm. We have used six benchmark data sets to evaluate each technique. These datasets Including Wisconsin Breast Cancer, Glass Identification, Ionosphere, Pima Indians Diabetes, Wine Recognition and Iris Plant. Experimental results have shown that both extreme learning machine and wavelet neural networks have reached good results.

MLBCD: a machine learning tool for big clinical data.

PubMed

Luo, Gang

2015-01-01

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

Machine Learning and Radiology

PubMed Central

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

Evaluating the Security of Machine Learning Algorithms

DTIC Science & Technology

2008-05-20

Two far-reaching trends in computing have grown in significance in recent years. First, statistical machine learning has entered the mainstream as a...computing applications. The growing intersection of these trends compels us to investigate how well machine learning performs under adversarial conditions... machine learning has a structure that we can use to build secure learning systems. This thesis makes three high-level contributions. First, we develop a

OrganismTagger: detection, normalization and grounding of organism entities in biomedical documents.

PubMed

Naderi, Nona; Kappler, Thomas; Baker, Christopher J O; Witte, René

2011-10-01

Semantic tagging of organism mentions in full-text articles is an important part of literature mining and semantic enrichment solutions. Tagged organism mentions also play a pivotal role in disambiguating other entities in a text, such as proteins. A high-precision organism tagging system must be able to detect the numerous forms of organism mentions, including common names as well as the traditional taxonomic groups: genus, species and strains. In addition, such a system must resolve abbreviations and acronyms, assign the scientific name and if possible link the detected mention to the NCBI Taxonomy database for further semantic queries and literature navigation. We present the OrganismTagger, a hybrid rule-based/machine learning system to extract organism mentions from the literature. It includes tools for automatically generating lexical and ontological resources from a copy of the NCBI Taxonomy database, thereby facilitating system updates by end users. Its novel ontology-based resources can also be reused in other semantic mining and linked data tasks. Each detected organism mention is normalized to a canonical name through the resolution of acronyms and abbreviations and subsequently grounded with an NCBI Taxonomy database ID. In particular, our system combines a novel machine-learning approach with rule-based and lexical methods for detecting strain mentions in documents. On our manually annotated OT corpus, the OrganismTagger achieves a precision of 95%, a recall of 94% and a grounding accuracy of 97.5%. On the manually annotated corpus of Linnaeus-100, the results show a precision of 99%, recall of 97% and grounding accuracy of 97.4%. The OrganismTagger, including supporting tools, resources, training data and manual annotations, as well as end user and developer documentation, is freely available under an open-source license at http://www.semanticsoftware.info/organism-tagger. witte@semanticsoftware.info.

A comparative study of the svm and k-nn machine learning algorithms for the diagnosis of respiratory pathologies using pulmonary acoustic signals

PubMed Central

2014-01-01

Background Pulmonary acoustic parameters extracted from recorded respiratory sounds provide valuable information for the detection of respiratory pathologies. The automated analysis of pulmonary acoustic signals can serve as a differential diagnosis tool for medical professionals, a learning tool for medical students, and a self-management tool for patients. In this context, we intend to evaluate and compare the performance of the support vector machine (SVM) and K-nearest neighbour (K-nn) classifiers in diagnosis respiratory pathologies using respiratory sounds from R.A.L.E database. Results The pulmonary acoustic signals used in this study were obtained from the R.A.L.E lung sound database. The pulmonary acoustic signals were manually categorised into three different groups, namely normal, airway obstruction pathology, and parenchymal pathology. The mel-frequency cepstral coefficient (MFCC) features were extracted from the pre-processed pulmonary acoustic signals. The MFCC features were analysed by one-way ANOVA and then fed separately into the SVM and K-nn classifiers. The performances of the classifiers were analysed using the confusion matrix technique. The statistical analysis of the MFCC features using one-way ANOVA showed that the extracted MFCC features are significantly different (p < 0.001). The classification accuracies of the SVM and K-nn classifiers were found to be 92.19% and 98.26%, respectively. Conclusion Although the data used to train and test the classifiers are limited, the classification accuracies found are satisfactory. The K-nn classifier was better than the SVM classifier for the discrimination of pulmonary acoustic signals from pathological and normal subjects obtained from the RALE database. PMID:24970564

A comparative study of the SVM and K-nn machine learning algorithms for the diagnosis of respiratory pathologies using pulmonary acoustic signals.

PubMed

Palaniappan, Rajkumar; Sundaraj, Kenneth; Sundaraj, Sebastian

2014-06-27

Pulmonary acoustic parameters extracted from recorded respiratory sounds provide valuable information for the detection of respiratory pathologies. The automated analysis of pulmonary acoustic signals can serve as a differential diagnosis tool for medical professionals, a learning tool for medical students, and a self-management tool for patients. In this context, we intend to evaluate and compare the performance of the support vector machine (SVM) and K-nearest neighbour (K-nn) classifiers in diagnosis respiratory pathologies using respiratory sounds from R.A.L.E database. The pulmonary acoustic signals used in this study were obtained from the R.A.L.E lung sound database. The pulmonary acoustic signals were manually categorised into three different groups, namely normal, airway obstruction pathology, and parenchymal pathology. The mel-frequency cepstral coefficient (MFCC) features were extracted from the pre-processed pulmonary acoustic signals. The MFCC features were analysed by one-way ANOVA and then fed separately into the SVM and K-nn classifiers. The performances of the classifiers were analysed using the confusion matrix technique. The statistical analysis of the MFCC features using one-way ANOVA showed that the extracted MFCC features are significantly different (p < 0.001). The classification accuracies of the SVM and K-nn classifiers were found to be 92.19% and 98.26%, respectively. Although the data used to train and test the classifiers are limited, the classification accuracies found are satisfactory. The K-nn classifier was better than the SVM classifier for the discrimination of pulmonary acoustic signals from pathological and normal subjects obtained from the RALE database.

Using human brain activity to guide machine learning.

PubMed

Fong, Ruth C; Scheirer, Walter J; Cox, David D

2018-03-29

Machine learning is a field of computer science that builds algorithms that learn. In many cases, machine learning algorithms are used to recreate a human ability like adding a caption to a photo, driving a car, or playing a game. While the human brain has long served as a source of inspiration for machine learning, little effort has been made to directly use data collected from working brains as a guide for machine learning algorithms. Here we demonstrate a new paradigm of "neurally-weighted" machine learning, which takes fMRI measurements of human brain activity from subjects viewing images, and infuses these data into the training process of an object recognition learning algorithm to make it more consistent with the human brain. After training, these neurally-weighted classifiers are able to classify images without requiring any additional neural data. We show that our neural-weighting approach can lead to large performance gains when used with traditional machine vision features, as well as to significant improvements with already high-performing convolutional neural network features. The effectiveness of this approach points to a path forward for a new class of hybrid machine learning algorithms which take both inspiration and direct constraints from neuronal data.

Machine-learning prediction of cancer survival: a retrospective study using electronic administrative records and a cancer registry

PubMed Central

Gupta, Sunil; Tran, Truyen; Luo, Wei; Phung, Dinh; Kennedy, Richard Lee; Broad, Adam; Campbell, David; Kipp, David; Singh, Madhu; Khasraw, Mustafa; Matheson, Leigh; Ashley, David M; Venkatesh, Svetha

2014-01-01

Objectives Using the prediction of cancer outcome as a model, we have tested the hypothesis that through analysing routinely collected digital data contained in an electronic administrative record (EAR), using machine-learning techniques, we could enhance conventional methods in predicting clinical outcomes. Setting A regional cancer centre in Australia. Participants Disease-specific data from a purpose-built cancer registry (Evaluation of Cancer Outcomes (ECO)) from 869 patients were used to predict survival at 6, 12 and 24 months. The model was validated with data from a further 94 patients, and results compared to the assessment of five specialist oncologists. Machine-learning prediction using ECO data was compared with that using EAR and a model combining ECO and EAR data. Primary and secondary outcome measures Survival prediction accuracy in terms of the area under the receiver operating characteristic curve (AUC). Results The ECO model yielded AUCs of 0.87 (95% CI 0.848 to 0.890) at 6 months, 0.796 (95% CI 0.774 to 0.823) at 12 months and 0.764 (95% CI 0.737 to 0.789) at 24 months. Each was slightly better than the performance of the clinician panel. The model performed consistently across a range of cancers, including rare cancers. Combining ECO and EAR data yielded better prediction than the ECO-based model (AUCs ranging from 0.757 to 0.997 for 6 months, AUCs from 0.689 to 0.988 for 12 months and AUCs from 0.713 to 0.973 for 24 months). The best prediction was for genitourinary, head and neck, lung, skin, and upper gastrointestinal tumours. Conclusions Machine learning applied to information from a disease-specific (cancer) database and the EAR can be used to predict clinical outcomes. Importantly, the approach described made use of digital data that is already routinely collected but underexploited by clinical health systems. PMID:24643167

Machine-learning prediction of cancer survival: a retrospective study using electronic administrative records and a cancer registry.

PubMed

Gupta, Sunil; Tran, Truyen; Luo, Wei; Phung, Dinh; Kennedy, Richard Lee; Broad, Adam; Campbell, David; Kipp, David; Singh, Madhu; Khasraw, Mustafa; Matheson, Leigh; Ashley, David M; Venkatesh, Svetha

2014-03-17

Using the prediction of cancer outcome as a model, we have tested the hypothesis that through analysing routinely collected digital data contained in an electronic administrative record (EAR), using machine-learning techniques, we could enhance conventional methods in predicting clinical outcomes. A regional cancer centre in Australia. Disease-specific data from a purpose-built cancer registry (Evaluation of Cancer Outcomes (ECO)) from 869 patients were used to predict survival at 6, 12 and 24 months. The model was validated with data from a further 94 patients, and results compared to the assessment of five specialist oncologists. Machine-learning prediction using ECO data was compared with that using EAR and a model combining ECO and EAR data. Survival prediction accuracy in terms of the area under the receiver operating characteristic curve (AUC). The ECO model yielded AUCs of 0.87 (95% CI 0.848 to 0.890) at 6 months, 0.796 (95% CI 0.774 to 0.823) at 12 months and 0.764 (95% CI 0.737 to 0.789) at 24 months. Each was slightly better than the performance of the clinician panel. The model performed consistently across a range of cancers, including rare cancers. Combining ECO and EAR data yielded better prediction than the ECO-based model (AUCs ranging from 0.757 to 0.997 for 6 months, AUCs from 0.689 to 0.988 for 12 months and AUCs from 0.713 to 0.973 for 24 months). The best prediction was for genitourinary, head and neck, lung, skin, and upper gastrointestinal tumours. Machine learning applied to information from a disease-specific (cancer) database and the EAR can be used to predict clinical outcomes. Importantly, the approach described made use of digital data that is already routinely collected but underexploited by clinical health systems.

Multicenter Comparison of Machine Learning Methods and Conventional Regression for Predicting Clinical Deterioration on the Wards.

PubMed

Churpek, Matthew M; Yuen, Trevor C; Winslow, Christopher; Meltzer, David O; Kattan, Michael W; Edelson, Dana P

2016-02-01

Machine learning methods are flexible prediction algorithms that may be more accurate than conventional regression. We compared the accuracy of different techniques for detecting clinical deterioration on the wards in a large, multicenter database. Observational cohort study. Five hospitals, from November 2008 until January 2013. Hospitalized ward patients None Demographic variables, laboratory values, and vital signs were utilized in a discrete-time survival analysis framework to predict the combined outcome of cardiac arrest, intensive care unit transfer, or death. Two logistic regression models (one using linear predictor terms and a second utilizing restricted cubic splines) were compared to several different machine learning methods. The models were derived in the first 60% of the data by date and then validated in the next 40%. For model derivation, each event time window was matched to a non-event window. All models were compared to each other and to the Modified Early Warning score, a commonly cited early warning score, using the area under the receiver operating characteristic curve (AUC). A total of 269,999 patients were admitted, and 424 cardiac arrests, 13,188 intensive care unit transfers, and 2,840 deaths occurred in the study. In the validation dataset, the random forest model was the most accurate model (AUC, 0.80 [95% CI, 0.80-0.80]). The logistic regression model with spline predictors was more accurate than the model utilizing linear predictors (AUC, 0.77 vs 0.74; p < 0.01), and all models were more accurate than the MEWS (AUC, 0.70 [95% CI, 0.70-0.70]). In this multicenter study, we found that several machine learning methods more accurately predicted clinical deterioration than logistic regression. Use of detection algorithms derived from these techniques may result in improved identification of critically ill patients on the wards.

Mining hidden data to predict patient prognosis: texture feature extraction and machine learning in mammography

NASA Astrophysics Data System (ADS)

Leighs, J. A.; Halling-Brown, M. D.; Patel, M. N.

2018-03-01

The UK currently has a national breast cancer-screening program and images are routinely collected from a number of screening sites, representing a wealth of invaluable data that is currently under-used. Radiologists evaluate screening images manually and recall suspicious cases for further analysis such as biopsy. Histological testing of biopsy samples confirms the malignancy of the tumour, along with other diagnostic and prognostic characteristics such as disease grade. Machine learning is becoming increasingly popular for clinical image classification problems, as it is capable of discovering patterns in data otherwise invisible. This is particularly true when applied to medical imaging features; however clinical datasets are often relatively small. A texture feature extraction toolkit has been developed to mine a wide range of features from medical images such as mammograms. This study analysed a dataset of 1,366 radiologist-marked, biopsy-proven malignant lesions obtained from the OPTIMAM Medical Image Database (OMI-DB). Exploratory data analysis methods were employed to better understand extracted features. Machine learning techniques including Classification and Regression Trees (CART), ensemble methods (e.g. random forests), and logistic regression were applied to the data to predict the disease grade of the analysed lesions. Prediction scores of up to 83% were achieved; sensitivity and specificity of the models trained have been discussed to put the results into a clinical context. The results show promise in the ability to predict prognostic indicators from the texture features extracted and thus enable prioritisation of care for patients at greatest risk.

Integrated Computational Analysis of Genes Associated with Human Hereditary Insensitivity to Pain. A Drug Repurposing Perspective

PubMed Central

Lötsch, Jörn; Lippmann, Catharina; Kringel, Dario; Ultsch, Alfred

2017-01-01

Genes causally involved in human insensitivity to pain provide a unique molecular source of studying the pathophysiology of pain and the development of novel analgesic drugs. The increasing availability of “big data” enables novel research approaches to chronic pain while also requiring novel techniques for data mining and knowledge discovery. We used machine learning to combine the knowledge about n = 20 genes causally involved in human hereditary insensitivity to pain with the knowledge about the functions of thousands of genes. An integrated computational analysis proposed that among the functions of this set of genes, the processes related to nervous system development and to ceramide and sphingosine signaling pathways are particularly important. This is in line with earlier suggestions to use these pathways as therapeutic target in pain. Following identification of the biological processes characterizing hereditary insensitivity to pain, the biological processes were used for a similarity analysis with the functions of n = 4,834 database-queried drugs. Using emergent self-organizing maps, a cluster of n = 22 drugs was identified sharing important functional features with hereditary insensitivity to pain. Several members of this cluster had been implicated in pain in preclinical experiments. Thus, the present concept of machine-learned knowledge discovery for pain research provides biologically plausible results and seems to be suitable for drug discovery by identifying a narrow choice of repurposing candidates, demonstrating that contemporary machine-learned methods offer innovative approaches to knowledge discovery from available evidence. PMID:28848388

A framework for medical image retrieval using machine learning and statistical similarity matching techniques with relevance feedback.

PubMed

Rahman, Md Mahmudur; Bhattacharya, Prabir; Desai, Bipin C

2007-01-01

A content-based image retrieval (CBIR) framework for diverse collection of medical images of different imaging modalities, anatomic regions with different orientations and biological systems is proposed. Organization of images in such a database (DB) is well defined with predefined semantic categories; hence, it can be useful for category-specific searching. The proposed framework consists of machine learning methods for image prefiltering, similarity matching using statistical distance measures, and a relevance feedback (RF) scheme. To narrow down the semantic gap and increase the retrieval efficiency, we investigate both supervised and unsupervised learning techniques to associate low-level global image features (e.g., color, texture, and edge) in the projected PCA-based eigenspace with their high-level semantic and visual categories. Specially, we explore the use of a probabilistic multiclass support vector machine (SVM) and fuzzy c-mean (FCM) clustering for categorization and prefiltering of images to reduce the search space. A category-specific statistical similarity matching is proposed in a finer level on the prefiltered images. To incorporate a better perception subjectivity, an RF mechanism is also added to update the query parameters dynamically and adjust the proposed matching functions. Experiments are based on a ground-truth DB consisting of 5000 diverse medical images of 20 predefined categories. Analysis of results based on cross-validation (CV) accuracy and precision-recall for image categorization and retrieval is reported. It demonstrates the improvement, effectiveness, and efficiency achieved by the proposed framework.

Quantum-Enhanced Machine Learning

NASA Astrophysics Data System (ADS)

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.

AggNet: Deep Learning From Crowds for Mitosis Detection in Breast Cancer Histology Images.

PubMed

Albarqouni, Shadi; Baur, Christoph; Achilles, Felix; Belagiannis, Vasileios; Demirci, Stefanie; Navab, Nassir

2016-05-01

The lack of publicly available ground-truth data has been identified as the major challenge for transferring recent developments in deep learning to the biomedical imaging domain. Though crowdsourcing has enabled annotation of large scale databases for real world images, its application for biomedical purposes requires a deeper understanding and hence, more precise definition of the actual annotation task. The fact that expert tasks are being outsourced to non-expert users may lead to noisy annotations introducing disagreement between users. Despite being a valuable resource for learning annotation models from crowdsourcing, conventional machine-learning methods may have difficulties dealing with noisy annotations during training. In this manuscript, we present a new concept for learning from crowds that handle data aggregation directly as part of the learning process of the convolutional neural network (CNN) via additional crowdsourcing layer (AggNet). Besides, we present an experimental study on learning from crowds designed to answer the following questions. 1) Can deep CNN be trained with data collected from crowdsourcing? 2) How to adapt the CNN to train on multiple types of annotation datasets (ground truth and crowd-based)? 3) How does the choice of annotation and aggregation affect the accuracy? Our experimental setup involved Annot8, a self-implemented web-platform based on Crowdflower API realizing image annotation tasks for a publicly available biomedical image database. Our results give valuable insights into the functionality of deep CNN learning from crowd annotations and prove the necessity of data aggregation integration.

Myths and legends in learning classification rules

NASA Technical Reports Server (NTRS)

Buntine, Wray

1990-01-01

A discussion is presented of machine learning theory on empirically learning classification rules. Six myths are proposed in the machine learning community that address issues of bias, learning as search, computational learning theory, Occam's razor, universal learning algorithms, and interactive learning. Some of the problems raised are also addressed from a Bayesian perspective. Questions are suggested that machine learning researchers should be addressing both theoretically and experimentally.

Machine Learning Based Malware Detection

DTIC Science & Technology

2015-05-18

A TRIDENT SCHOLAR PROJECT REPORT NO. 440 Machine Learning Based Malware Detection by Midshipman 1/C Zane A. Markel, USN...COVERED (From - To) 4. TITLE AND SUBTITLE Machine Learning Based Malware Detection 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM...suitably be projected into realistic performance. This work explores several aspects of machine learning based malware detection . First, we

Interpreting Medical Information Using Machine Learning and Individual Conditional Expectation.

PubMed

Nohara, Yasunobu; Wakata, Yoshifumi; Nakashima, Naoki

2015-01-01

Recently, machine-learning techniques have spread many fields. However, machine-learning is still not popular in medical research field due to difficulty of interpreting. In this paper, we introduce a method of interpreting medical information using machine learning technique. The method gave new explanation of partial dependence plot and individual conditional expectation plot from medical research field.

Machine Learning Applications to Resting-State Functional MR Imaging Analysis.

PubMed

Billings, John M; Eder, Maxwell; Flood, William C; Dhami, Devendra Singh; Natarajan, Sriraam; Whitlow, Christopher T

2017-11-01

Machine learning is one of the most exciting and rapidly expanding fields within computer science. Academic and commercial research entities are investing in machine learning methods, especially in personalized medicine via patient-level classification. There is great promise that machine learning methods combined with resting state functional MR imaging will aid in diagnosis of disease and guide potential treatment for conditions thought to be impossible to identify based on imaging alone, such as psychiatric disorders. We discuss machine learning methods and explore recent advances. Copyright © 2017 Elsevier Inc. All rights reserved.

Source localization in an ocean waveguide using supervised machine learning.

PubMed

Niu, Haiqiang; Reeves, Emma; Gerstoft, Peter

2017-09-01

Source localization in ocean acoustics is posed as a machine learning problem in which data-driven methods learn source ranges directly from observed acoustic data. The pressure received by a vertical linear array is preprocessed by constructing a normalized sample covariance matrix and used as the input for three machine learning methods: feed-forward neural networks (FNN), support vector machines (SVM), and random forests (RF). The range estimation problem is solved both as a classification problem and as a regression problem by these three machine learning algorithms. The results of range estimation for the Noise09 experiment are compared for FNN, SVM, RF, and conventional matched-field processing and demonstrate the potential of machine learning for underwater source localization.

Computer vision cracks the leaf code

PubMed Central

Wilf, Peter; Zhang, Shengping; Chikkerur, Sharat; Little, Stefan A.; Wing, Scott L.; Serre, Thomas

2016-01-01

Understanding the extremely variable, complex shape and venation characters of angiosperm leaves is one of the most challenging problems in botany. Machine learning offers opportunities to analyze large numbers of specimens, to discover novel leaf features of angiosperm clades that may have phylogenetic significance, and to use those characters to classify unknowns. Previous computer vision approaches have primarily focused on leaf identification at the species level. It remains an open question whether learning and classification are possible among major evolutionary groups such as families and orders, which usually contain hundreds to thousands of species each and exhibit many times the foliar variation of individual species. Here, we tested whether a computer vision algorithm could use a database of 7,597 leaf images from 2,001 genera to learn features of botanical families and orders, then classify novel images. The images are of cleared leaves, specimens that are chemically bleached, then stained to reveal venation. Machine learning was used to learn a codebook of visual elements representing leaf shape and venation patterns. The resulting automated system learned to classify images into families and orders with a success rate many times greater than chance. Of direct botanical interest, the responses of diagnostic features can be visualized on leaf images as heat maps, which are likely to prompt recognition and evolutionary interpretation of a wealth of novel morphological characters. With assistance from computer vision, leaves are poised to make numerous new contributions to systematic and paleobotanical studies. PMID:26951664

Machine Learning for Medical Imaging

PubMed Central

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 PMID:28212054

Machine Learning for Medical Imaging.

PubMed

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.

Machine learning in heart failure: ready for prime time.

PubMed

Awan, Saqib Ejaz; Sohel, Ferdous; Sanfilippo, Frank Mario; Bennamoun, Mohammed; Dwivedi, Girish

2018-03-01

The aim of this review is to present an up-to-date overview of the application of machine learning methods in heart failure including diagnosis, classification, readmissions and medication adherence. Recent studies have shown that the application of machine learning techniques may have the potential to improve heart failure outcomes and management, including cost savings by improving existing diagnostic and treatment support systems. Recently developed deep learning methods are expected to yield even better performance than traditional machine learning techniques in performing complex tasks by learning the intricate patterns hidden in big medical data. The review summarizes the recent developments in the application of machine and deep learning methods in heart failure management.

Human Machine Learning Symbiosis

ERIC Educational Resources Information Center

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…

Machine learning in cardiovascular medicine: are we there yet?

PubMed

Shameer, Khader; Johnson, Kipp W; Glicksberg, Benjamin S; Dudley, Joel T; Sengupta, Partho P

2018-01-19

Artificial intelligence (AI) broadly refers to analytical algorithms that iteratively learn from data, allowing computers to find hidden insights without being explicitly programmed where to look. These include a family of operations encompassing several terms like machine learning, cognitive learning, deep learning and reinforcement learning-based methods that can be used to integrate and interpret complex biomedical and healthcare data in scenarios where traditional statistical methods may not be able to perform. In this review article, we discuss the basics of machine learning algorithms and what potential data sources exist; evaluate the need for machine learning; and examine the potential limitations and challenges of implementing machine in the context of cardiovascular medicine. The most promising avenues for AI in medicine are the development of automated risk prediction algorithms which can be used to guide clinical care; use of unsupervised learning techniques to more precisely phenotype complex disease; and the implementation of reinforcement learning algorithms to intelligently augment healthcare providers. The utility of a machine learning-based predictive model will depend on factors including data heterogeneity, data depth, data breadth, nature of modelling task, choice of machine learning and feature selection algorithms, and orthogonal evidence. A critical understanding of the strength and limitations of various methods and tasks amenable to machine learning is vital. By leveraging the growing corpus of big data in medicine, we detail pathways by which machine learning may facilitate optimal development of patient-specific models for improving diagnoses, intervention and outcome in cardiovascular medicine. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

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

PubMed

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

2017-11-01

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.

Myths and legends in learning classification rules

NASA Technical Reports Server (NTRS)

Buntine, Wray

1990-01-01

This paper is a discussion of machine learning theory on empirically learning classification rules. The paper proposes six myths in the machine learning community that address issues of bias, learning as search, computational learning theory, Occam's razor, 'universal' learning algorithms, and interactive learnings. Some of the problems raised are also addressed from a Bayesian perspective. The paper concludes by suggesting questions that machine learning researchers should be addressing both theoretically and experimentally.

SVS: data and knowledge integration in computational biology.

PubMed

Zycinski, Grzegorz; Barla, Annalisa; Verri, Alessandro

2011-01-01

In this paper we present a framework for structured variable selection (SVS). The main concept of the proposed schema is to take a step towards the integration of two different aspects of data mining: database and machine learning perspective. The framework is flexible enough to use not only microarray data, but other high-throughput data of choice (e.g. from mass spectrometry, microarray, next generation sequencing). Moreover, the feature selection phase incorporates prior biological knowledge in a modular way from various repositories and is ready to host different statistical learning techniques. We present a proof of concept of SVS, illustrating some implementation details and describing current results on high-throughput microarray data.

Populating the Semantic Web by Macro-reading Internet Text

NASA Astrophysics Data System (ADS)

Mitchell, Tom M.; Betteridge, Justin; Carlson, Andrew; Hruschka, Estevam; Wang, Richard

A key question regarding the future of the semantic web is "how will we acquire structured information to populate the semantic web on a vast scale?" One approach is to enter this information manually. A second approach is to take advantage of pre-existing databases, and to develop common ontologies, publishing standards, and reward systems to make this data widely accessible. We consider here a third approach: developing software that automatically extracts structured information from unstructured text present on the web. We also describe preliminary results demonstrating that machine learning algorithms can learn to extract tens of thousands of facts to populate a diverse ontology, with imperfect but reasonably good accuracy.

Machine learning and radiology.

PubMed

Wang, Shijun; Summers, Ronald M

2012-07-01

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. Copyright © 2012. Published by Elsevier B.V.

Integrative relational machine-learning for understanding drug side-effect profiles

PubMed Central

2013-01-01

Background Drug side effects represent a common reason for stopping drug development during clinical trials. Improving our ability to understand drug side effects is necessary to reduce attrition rates during drug development as well as the risk of discovering novel side effects in available drugs. Today, most investigations deal with isolated side effects and overlook possible redundancy and their frequent co-occurrence. Results In this work, drug annotations are collected from SIDER and DrugBank databases. Terms describing individual side effects reported in SIDER are clustered with a semantic similarity measure into term clusters (TCs). Maximal frequent itemsets are extracted from the resulting drug x TC binary table, leading to the identification of what we call side-effect profiles (SEPs). A SEP is defined as the longest combination of TCs which are shared by a significant number of drugs. Frequent SEPs are explored on the basis of integrated drug and target descriptors using two machine learning methods: decision-trees and inductive-logic programming. Although both methods yield explicit models, inductive-logic programming method performs relational learning and is able to exploit not only drug properties but also background knowledge. Learning efficiency is evaluated by cross-validation and direct testing with new molecules. Comparison of the two machine-learning methods shows that the inductive-logic-programming method displays a greater sensitivity than decision trees and successfully exploit background knowledge such as functional annotations and pathways of drug targets, thereby producing rich and expressive rules. All models and theories are available on a dedicated web site. Conclusions Side effect profiles covering significant number of drugs have been extracted from a drug ×side-effect association table. Integration of background knowledge concerning both chemical and biological spaces has been combined with a relational learning method for discovering rules which explicitly characterize drug-SEP associations. These rules are successfully used for predicting SEPs associated with new drugs. PMID:23802887

Integrative relational machine-learning for understanding drug side-effect profiles.

PubMed

Bresso, Emmanuel; Grisoni, Renaud; Marchetti, Gino; Karaboga, Arnaud Sinan; Souchet, Michel; Devignes, Marie-Dominique; Smaïl-Tabbone, Malika

2013-06-26

Drug side effects represent a common reason for stopping drug development during clinical trials. Improving our ability to understand drug side effects is necessary to reduce attrition rates during drug development as well as the risk of discovering novel side effects in available drugs. Today, most investigations deal with isolated side effects and overlook possible redundancy and their frequent co-occurrence. In this work, drug annotations are collected from SIDER and DrugBank databases. Terms describing individual side effects reported in SIDER are clustered with a semantic similarity measure into term clusters (TCs). Maximal frequent itemsets are extracted from the resulting drug x TC binary table, leading to the identification of what we call side-effect profiles (SEPs). A SEP is defined as the longest combination of TCs which are shared by a significant number of drugs. Frequent SEPs are explored on the basis of integrated drug and target descriptors using two machine learning methods: decision-trees and inductive-logic programming. Although both methods yield explicit models, inductive-logic programming method performs relational learning and is able to exploit not only drug properties but also background knowledge. Learning efficiency is evaluated by cross-validation and direct testing with new molecules. Comparison of the two machine-learning methods shows that the inductive-logic-programming method displays a greater sensitivity than decision trees and successfully exploit background knowledge such as functional annotations and pathways of drug targets, thereby producing rich and expressive rules. All models and theories are available on a dedicated web site. Side effect profiles covering significant number of drugs have been extracted from a drug ×side-effect association table. Integration of background knowledge concerning both chemical and biological spaces has been combined with a relational learning method for discovering rules which explicitly characterize drug-SEP associations. These rules are successfully used for predicting SEPs associated with new drugs.

Fast Demand Forecast of Electric Vehicle Charging Stations for Cell Phone Application

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

Majidpour, Mostafa; Qiu, Charlie; Chung, Ching-Yen

This paper describes the core cellphone application algorithm which has been implemented for the prediction of energy consumption at Electric Vehicle (EV) Charging Stations at UCLA. For this interactive user application, the total time of accessing database, processing the data and making the prediction, needs to be within a few seconds. We analyze four relatively fast Machine Learning based time series prediction algorithms for our prediction engine: Historical Average, kNearest Neighbor, Weighted k-Nearest Neighbor, and Lazy Learning. The Nearest Neighbor algorithm (k Nearest Neighbor with k=1) shows better performance and is selected to be the prediction algorithm implemented for themore » cellphone application. Two applications have been designed on top of the prediction algorithm: one predicts the expected available energy at the station and the other one predicts the expected charging finishing time. The total time, including accessing the database, data processing, and prediction is about one second for both applications.« less

Comparison of hand-craft feature based SVM and CNN based deep learning framework for automatic polyp classification.

PubMed

Younghak Shin; Balasingham, Ilangko

2017-07-01

Colonoscopy is a standard method for screening polyps by highly trained physicians. Miss-detected polyps in colonoscopy are potential risk factor for colorectal cancer. In this study, we investigate an automatic polyp classification framework. We aim to compare two different approaches named hand-craft feature method and convolutional neural network (CNN) based deep learning method. Combined shape and color features are used for hand craft feature extraction and support vector machine (SVM) method is adopted for classification. For CNN approach, three convolution and pooling based deep learning framework is used for classification purpose. The proposed framework is evaluated using three public polyp databases. From the experimental results, we have shown that the CNN based deep learning framework shows better classification performance than the hand-craft feature based methods. It achieves over 90% of classification accuracy, sensitivity, specificity and precision.

The Transporter Classification Database: recent advances.

PubMed

Saier, Milton H; Yen, Ming Ren; Noto, Keith; Tamang, Dorjee G; Elkan, Charles

2009-01-01

The Transporter Classification Database (TCDB), freely accessible at http://www.tcdb.org, is a relational database containing sequence, structural, functional and evolutionary information about transport systems from a variety of living organisms, based on the International Union of Biochemistry and Molecular Biology-approved transporter classification (TC) system. It is a curated repository for factual information compiled largely from published references. It uses a functional/phylogenetic system of classification, and currently encompasses about 5000 representative transporters and putative transporters in more than 500 families. We here describe novel software designed to support and extend the usefulness of TCDB. Our recent efforts render it more user friendly, incorporate machine learning to input novel data in a semiautomatic fashion, and allow analyses that are more accurate and less time consuming. The availability of these tools has resulted in recognition of distant phylogenetic relationships and tremendous expansion of the information available to TCDB users.

Location-Driven Image Retrieval for Images Collected by a Mobile Robot

NASA Astrophysics Data System (ADS)

Tanaka, Kanji; Hirayama, Mitsuru; Okada, Nobuhiro; Kondo, Eiji

Mobile robot teleoperation is a method for a human user to interact with a mobile robot over time and distance. Successful teleoperation depends on how well images taken by the mobile robot are visualized to the user. To enhance the efficiency and flexibility of the visualization, an image retrieval system on such a robot’s image database would be very useful. The main difference of the robot’s image database from standard image databases is that various relevant images exist due to variety of viewing conditions. The main contribution of this paper is to propose an efficient retrieval approach, named location-driven approach, utilizing correlation between visual features and real world locations of images. Combining the location-driven approach with the conventional feature-driven approach, our goal can be viewed as finding an optimal classifier between relevant and irrelevant feature-location pairs. An active learning technique based on support vector machine is extended for this aim.

Applications of Machine Learning and Rule Induction,

DTIC Science & Technology

1995-02-15

An important area of application for machine learning is in automating the acquisition of knowledge bases required for expert systems. In this paper...we review the major paradigms for machine learning , including neural networks, instance-based methods, genetic learning, rule induction, and analytic

Active in-database processing to support ambient assisted living systems.

PubMed

de Morais, Wagner O; Lundström, Jens; Wickström, Nicholas

2014-08-12

As an alternative to the existing software architectures that underpin the development of smart homes and ambient assisted living (AAL) systems, this work presents a database-centric architecture that takes advantage of active databases and in-database processing. Current platforms supporting AAL systems use database management systems (DBMSs) exclusively for data storage. Active databases employ database triggers to detect and react to events taking place inside or outside of the database. DBMSs can be extended with stored procedures and functions that enable in-database processing. This means that the data processing is integrated and performed within the DBMS. The feasibility and flexibility of the proposed approach were demonstrated with the implementation of three distinct AAL services. The active database was used to detect bed-exits and to discover common room transitions and deviations during the night. In-database machine learning methods were used to model early night behaviors. Consequently, active in-database processing avoids transferring sensitive data outside the database, and this improves performance, security and privacy. Furthermore, centralizing the computation into the DBMS facilitates code reuse, adaptation and maintenance. These are important system properties that take into account the evolving heterogeneity of users, their needs and the devices that are characteristic of smart homes and AAL systems. Therefore, DBMSs can provide capabilities to address requirements for scalability, security, privacy, dependability and personalization in applications of smart environments in healthcare.

Active In-Database Processing to Support Ambient Assisted Living Systems

PubMed Central

de Morais, Wagner O.; Lundström, Jens; Wickström, Nicholas

2014-01-01

As an alternative to the existing software architectures that underpin the development of smart homes and ambient assisted living (AAL) systems, this work presents a database-centric architecture that takes advantage of active databases and in-database processing. Current platforms supporting AAL systems use database management systems (DBMSs) exclusively for data storage. Active databases employ database triggers to detect and react to events taking place inside or outside of the database. DBMSs can be extended with stored procedures and functions that enable in-database processing. This means that the data processing is integrated and performed within the DBMS. The feasibility and flexibility of the proposed approach were demonstrated with the implementation of three distinct AAL services. The active database was used to detect bed-exits and to discover common room transitions and deviations during the night. In-database machine learning methods were used to model early night behaviors. Consequently, active in-database processing avoids transferring sensitive data outside the database, and this improves performance, security and privacy. Furthermore, centralizing the computation into the DBMS facilitates code reuse, adaptation and maintenance. These are important system properties that take into account the evolving heterogeneity of users, their needs and the devices that are characteristic of smart homes and AAL systems. Therefore, DBMSs can provide capabilities to address requirements for scalability, security, privacy, dependability and personalization in applications of smart environments in healthcare. PMID:25120164

New Trends in E-Science: Machine Learning and Knowledge Discovery in Databases

NASA Astrophysics Data System (ADS)

Brescia, Massimo

2012-11-01

Data mining, or Knowledge Discovery in Databases (KDD), while being the main methodology to extract the scientific information contained in Massive Data Sets (MDS), needs to tackle crucial problems since it has to orchestrate complex challenges posed by transparent access to different computing environments, scalability of algorithms, reusability of resources. To achieve a leap forward for the progress of e-science in the data avalanche era, the community needs to implement an infrastructure capable of performing data access, processing and mining in a distributed but integrated context. The increasing complexity of modern technologies carried out a huge production of data, whose related warehouse management and the need to optimize analysis and mining procedures lead to a change in concept on modern science. Classical data exploration, based on local user own data storage and limited computing infrastructures, is no more efficient in the case of MDS, worldwide spread over inhomogeneous data centres and requiring teraflop processing power. In this context modern experimental and observational science requires a good understanding of computer science, network infrastructures, Data Mining, etc. i.e. of all those techniques which fall into the domain of the so called e-science (recently assessed also by the Fourth Paradigm of Science). Such understanding is almost completely absent in the older generations of scientists and this reflects in the inadequacy of most academic and research programs. A paradigm shift is needed: statistical pattern recognition, object oriented programming, distributed computing, parallel programming need to become an essential part of scientific background. A possible practical solution is to provide the research community with easy-to understand, easy-to-use tools, based on the Web 2.0 technologies and Machine Learning methodology. Tools where almost all the complexity is hidden to the final user, but which are still flexible and able to produce efficient and reliable scientific results. All these considerations will be described in the detail in the chapter. Moreover, examples of modern applications offering to a wide variety of e-science communities a large spectrum of computational facilities to exploit the wealth of available massive data sets and powerful machine learning and statistical algorithms will be also introduced.

Experimental Realization of a Quantum Support Vector Machine

NASA Astrophysics Data System (ADS)

Li, Zhaokai; Liu, Xiaomei; Xu, Nanyang; Du, Jiangfeng

2015-04-01

The fundamental principle of artificial intelligence is the ability of machines to learn from previous experience and do future work accordingly. In the age of big data, classical learning machines often require huge computational resources in many practical cases. Quantum machine learning algorithms, on the other hand, could be exponentially faster than their classical counterparts by utilizing quantum parallelism. Here, we demonstrate a quantum machine learning algorithm to implement handwriting recognition on a four-qubit NMR test bench. The quantum machine learns standard character fonts and then recognizes handwritten characters from a set with two candidates. Because of the wide spread importance of artificial intelligence and its tremendous consumption of computational resources, quantum speedup would be extremely attractive against the challenges of big data.

Data fusion and machine learning to identify threat vectors for the Zika virus and classify vulnerability

NASA Astrophysics Data System (ADS)

Gentle, J. N., Jr.; Kahn, A.; Pierce, S. A.; Wang, S.; Wade, C.; Moran, S.

2016-12-01

With the continued spread of the zika virus in the United States in both Florida and Virginia, increased public awareness, prevention and targeted prediction is necessary to effectively mitigate further infection and propagation of the virus throughout the human population. The goal of this project is to utilize publicly accessible data and HPC resources coupled with machine learning algorithms to identify potential threat vectors for the spread of the zika virus in Texas, the United States and globally by correlating available zika case data collected from incident reports in medical databases (e.g., CDC, Florida Department of Health) with known bodies of water in various earth science databases (e.g., USGS NAQWA Data, NASA ASTER Data, TWDB Data) and by using known mosquito population centers as a proxy for trends in population distribution (e.g., WHO, European CDC, Texas Data) while correlating historical trends in the spread of other mosquito borne diseases (e.g., chikungunya, malaria, dengue, yellow fever, west nile, etc.). The resulting analysis should refine the identification of the specific threat vectors for the spread of the virus which will correspondingly increase the effectiveness of the limited resources allocated towards combating the disease through better strategic implementation of defense measures. The minimal outcome of this research is a better understanding of the factors involved in the spread of the zika virus, with the greater potential to save additional lives through more effective resource utilization and public outreach.

Automated classification of periodic variable stars detected by the wide-field infrared survey explorer

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

Masci, Frank J.; Grillmair, Carl J.; Cutri, Roc M.

2014-07-01

We describe a methodology to classify periodic variable stars identified using photometric time-series measurements constructed from the Wide-field Infrared Survey Explorer (WISE) full-mission single-exposure Source Databases. This will assist in the future construction of a WISE Variable Source Database that assigns variables to specific science classes as constrained by the WISE observing cadence with statistically meaningful classification probabilities. We have analyzed the WISE light curves of 8273 variable stars identified in previous optical variability surveys (MACHO, GCVS, and ASAS) and show that Fourier decomposition techniques can be extended into the mid-IR to assist with their classification. Combined with other periodicmore » light-curve features, this sample is then used to train a machine-learned classifier based on the random forest (RF) method. Consistent with previous classification studies of variable stars in general, the RF machine-learned classifier is superior to other methods in terms of accuracy, robustness against outliers, and relative immunity to features that carry little or redundant class information. For the three most common classes identified by WISE: Algols, RR Lyrae, and W Ursae Majoris type variables, we obtain classification efficiencies of 80.7%, 82.7%, and 84.5% respectively using cross-validation analyses, with 95% confidence intervals of approximately ±2%. These accuracies are achieved at purity (or reliability) levels of 88.5%, 96.2%, and 87.8% respectively, similar to that achieved in previous automated classification studies of periodic variable stars.« less

Workshop on Fielded Applications of Machine Learning

DTIC Science & Technology

1994-05-11

This report summaries the talks presented at the Workshop on Fielded Applications of Machine Learning , and draws some initial conclusions about the state of machine learning and its potential for solving real-world problems.

Revisit of Machine Learning Supported Biological and Biomedical Studies.

PubMed

Yu, Xiang-Tian; Wang, Lu; Zeng, Tao

2018-01-01

Generally, machine learning includes many in silico methods to transform the principles underlying natural phenomenon to human understanding information, which aim to save human labor, to assist human judge, and to create human knowledge. It should have wide application potential in biological and biomedical studies, especially in the era of big biological data. To look through the application of machine learning along with biological development, this review provides wide cases to introduce the selection of machine learning methods in different practice scenarios involved in the whole biological and biomedical study cycle and further discusses the machine learning strategies for analyzing omics data in some cutting-edge biological studies. Finally, the notes on new challenges for machine learning due to small-sample high-dimension are summarized from the key points of sample unbalance, white box, and causality.

Machine Learning. Part 1. A Historical and Methodological Analysis.

DTIC Science & Technology

1983-05-31

Machine learning has always been an integral part of artificial intelligence, and its methodology has evolved in concert with the major concerns of the field. In response to the difficulties of encoding ever-increasing volumes of knowledge in modern Al systems, many researchers have recently turned their attention to machine learning as a means to overcome the knowledge acquisition bottleneck. Part 1 of this paper presents a taxonomic analysis of machine learning organized primarily by learning strategies and secondarily by

Toward Harnessing User Feedback For Machine Learning

DTIC Science & Technology

2006-10-02

machine learning systems. If this resource-the users themselves-could somehow work hand-in-hand with machine learning systems, the accuracy of learning systems could be improved and the users? understanding and trust of the system could improve as well. We conducted a think-aloud study to see how willing users were to provide feedback and to understand what kinds of feedback users could give. Users were shown explanations of machine learning predictions and asked to provide feedback to improve the predictions. We found that users

Intelligible machine learning with malibu.

PubMed

Langlois, Robert E; Lu, Hui

2008-01-01

malibu is an open-source machine learning work-bench developed in C/C++ for high-performance real-world applications, namely bioinformatics and medical informatics. It leverages third-party machine learning implementations for more robust bug-free software. This workbench handles several well-studied supervised machine learning problems including classification, regression, importance-weighted classification and multiple-instance learning. The malibu interface was designed to create reproducible experiments ideally run in a remote and/or command line environment. The software can be found at: http://proteomics.bioengr. uic.edu/malibu/index.html.

Language Acquisition and Machine Learning.

DTIC Science & Technology

1986-02-01

machine learning and examine its implications for computational models of language acquisition. As a framework for understanding this research, the authors propose four component tasks involved in learning from experience-aggregation, clustering, characterization, and storage. They then consider four common problems studied by machine learning researchers-learning from examples, heuristics learning, conceptual clustering, and learning macro-operators-describing each in terms of our framework. After this, they turn to the problem of grammar

Behavioral Profiling of Scada Network Traffic Using Machine Learning Algorithms

DTIC Science & Technology

2014-03-27

BEHAVIORAL PROFILING OF SCADA NETWORK TRAFFIC USING MACHINE LEARNING ALGORITHMS THESIS Jessica R. Werling, Captain, USAF AFIT-ENG-14-M-81 DEPARTMENT...subject to copyright protection in the United States. AFIT-ENG-14-M-81 BEHAVIORAL PROFILING OF SCADA NETWORK TRAFFIC USING MACHINE LEARNING ...AFIT-ENG-14-M-81 BEHAVIORAL PROFILING OF SCADA NETWORK TRAFFIC USING MACHINE LEARNING ALGORITHMS Jessica R. Werling, B.S.C.S. Captain, USAF Approved

Statistical Machine Learning for Structured and High Dimensional Data

DTIC Science & Technology

2014-09-17

AFRL-OSR-VA-TR-2014-0234 STATISTICAL MACHINE LEARNING FOR STRUCTURED AND HIGH DIMENSIONAL DATA Larry Wasserman CARNEGIE MELLON UNIVERSITY Final...Re . 8-98) v Prescribed by ANSI Std. Z39.18 14-06-2014 Final Dec 2009 - Aug 2014 Statistical Machine Learning for Structured and High Dimensional...area of resource-constrained statistical estimation. machine learning , high-dimensional statistics U U U UU John Lafferty 773-702-3813 > Research under

Machine learning in genetics and genomics

PubMed Central

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

Mining emotional profiles using e-mail messages for earlier warnings of potential terrorist activities

NASA Astrophysics Data System (ADS)

Galitsky, Boris; Kovalerchuk, Boris

2006-04-01

We develop a software system Text Scanner for Emotional Distress (TSED) for helping to detect email messages which are suspicious of coming from people under strong emotional distress. It has been confirmed by multiple studies that terrorist attackers have experienced a substantial emotional distress at some points before committing a terrorist attack. Therefore, if an individual in emotional distress can be detected on the basis of email texts, some preventive measures can be taken. The proposed detection machinery is based on extraction and classification of emotional profiles from emails. An emotional profile is a formal representation of a sequence of emotional states through a textual discourse where communicative actions are attached to these emotional states. The issues of extraction of emotional profiles from text and reasoning about it are discussed and illustrated. We then develop an inductive machine learning and reasoning framework to relate an emotional profile to the class "Emotional distress" or "No emotional distress", given a training dataset where the class is assigned by an expert. TSED's machine learning is evaluated using the database of structured customer complaints.

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

NASA Astrophysics Data System (ADS)

Dragoni, Daniele; Daff, Thomas D.; Csányi, Gábor; Marzari, Nicola

2018-01-01

We show that the Gaussian Approximation Potential (GAP) machine-learning framework can describe complex magnetic potential energy surfaces, taking ferromagnetic iron as a paradigmatic challenging case. The training database includes total energies, forces, and stresses obtained from density-functional theory in the generalized-gradient approximation, and comprises approximately 150,000 local atomic environments, ranging from pristine and defected bulk configurations to surfaces and generalized stacking faults with different crystallographic orientations. We find the structural, vibrational, and thermodynamic properties of the GAP model to be in excellent agreement with those obtained directly from first-principles electronic-structure calculations. There is good transferability to quantities, such as Peierls energy barriers, which are determined to a large extent by atomic configurations that were not part of the training set. We observe the benefit and the need of using highly converged electronic-structure calculations to sample a target potential energy surface. The end result is a systematically improvable potential that can achieve the same accuracy of density-functional theory calculations, but at a fraction of the computational cost.

Identifying residential neighbourhood types from settlement points in a machine learning approach.

PubMed

Jochem, Warren C; Bird, Tomas J; Tatem, Andrew J

2018-05-01

Remote sensing techniques are now commonly applied to map and monitor urban land uses to measure growth and to assist with development and planning. Recent work in this area has highlighted the use of textures and other spatial features that can be measured in very high spatial resolution imagery. Far less attention has been given to using geospatial vector data (i.e. points, lines, polygons) to map land uses. This paper presents an approach to distinguish residential settlement types (regular vs. irregular) using an existing database of settlement points locating structures. Nine data features describing the density, distance, angles, and spacing of the settlement points are calculated at multiple spatial scales. These data are analysed alone and with five common remote sensing measures on elevation, slope, vegetation, and nighttime lights in a supervised machine learning approach to classify land use areas. The method was tested in seven provinces of Afghanistan (Balkh, Helmand, Herat, Kabul, Kandahar, Kunduz, Nangarhar). Overall accuracy ranged from 78% in Kandahar to 90% in Nangarhar. This research demonstrates the potential to accurately map land uses from even the simplest representation of structures.

SpikeGUI: software for rapid interictal discharge annotation via template matching and online machine learning.

PubMed

Jing Jin; Dauwels, Justin; Cash, Sydney; Westover, M Brandon

2014-01-01

Detection of interictal discharges is a key element of interpreting EEGs during the diagnosis and management of epilepsy. Because interpretation of clinical EEG data is time-intensive and reliant on experts who are in short supply, there is a great need for automated spike detectors. However, attempts to develop general-purpose spike detectors have so far been severely limited by a lack of expert-annotated data. Huge databases of interictal discharges are therefore in great demand for the development of general-purpose detectors. Detailed manual annotation of interictal discharges is time consuming, which severely limits the willingness of experts to participate. To address such problems, a graphical user interface "SpikeGUI" was developed in our work for the purposes of EEG viewing and rapid interictal discharge annotation. "SpikeGUI" substantially speeds up the task of annotating interictal discharges using a custom-built algorithm based on a combination of template matching and online machine learning techniques. While the algorithm is currently tailored to annotation of interictal epileptiform discharges, it can easily be generalized to other waveforms and signal types.

PaPrBaG: A machine learning approach for the detection of novel pathogens from NGS data

NASA Astrophysics Data System (ADS)

Deneke, Carlus; Rentzsch, Robert; Renard, Bernhard Y.

2017-01-01

The reliable detection of novel bacterial pathogens from next-generation sequencing data is a key challenge for microbial diagnostics. Current computational tools usually rely on sequence similarity and often fail to detect novel species when closely related genomes are unavailable or missing from the reference database. Here we present the machine learning based approach PaPrBaG (Pathogenicity Prediction for Bacterial Genomes). PaPrBaG overcomes genetic divergence by training on a wide range of species with known pathogenicity phenotype. To that end we compiled a comprehensive list of pathogenic and non-pathogenic bacteria with human host, using various genome metadata in conjunction with a rule-based protocol. A detailed comparative study reveals that PaPrBaG has several advantages over sequence similarity approaches. Most importantly, it always provides a prediction whereas other approaches discard a large number of sequencing reads with low similarity to currently known reference genomes. Furthermore, PaPrBaG remains reliable even at very low genomic coverages. CombiningPaPrBaG with existing approaches further improves prediction results.

SpikeGUI: Software for Rapid Interictal Discharge Annotation via Template Matching and Online Machine Learning

PubMed Central

Jin, Jing; Dauwels, Justin; Cash, Sydney; Westover, M. Brandon

2015-01-01

Detection of interictal discharges is a key element of interpreting EEGs during the diagnosis and management of epilepsy. Because interpretation of clinical EEG data is time-intensive and reliant on experts who are in short supply, there is a great need for automated spike detectors. However, attempts to develop general-purpose spike detectors have so far been severely limited by a lack of expert-annotated data. Huge databases of interictal discharges are therefore in great demand for the development of general-purpose detectors. Detailed manual annotation of interictal discharges is time consuming, which severely limits the willingness of experts to participate. To address such problems, a graphical user interface “SpikeGUI” was developed in our work for the purposes of EEG viewing and rapid interictal discharge annotation. “SpikeGUI” substantially speeds up the task of annotating interictal discharges using a custom-built algorithm based on a combination of template matching and online machine learning techniques. While the algorithm is currently tailored to annotation of interictal epileptiform discharges, it can easily be generalized to other waveforms and signal types. PMID:25570976

Extracting microRNA-gene relations from biomedical literature using distant supervision

PubMed Central

Clarke, Luka A.; Couto, Francisco M.

2017-01-01

Many biomedical relation extraction approaches are based on supervised machine learning, requiring an annotated corpus. Distant supervision aims at training a classifier by combining a knowledge base with a corpus, reducing the amount of manual effort necessary. This is particularly useful for biomedicine because many databases and ontologies have been made available for many biological processes, while the availability of annotated corpora is still limited. We studied the extraction of microRNA-gene relations from text. MicroRNA regulation is an important biological process due to its close association with human diseases. The proposed method, IBRel, is based on distantly supervised multi-instance learning. We evaluated IBRel on three datasets, and the results were compared with a co-occurrence approach as well as a supervised machine learning algorithm. While supervised learning outperformed on two of those datasets, IBRel obtained an F-score 28.3 percentage points higher on the dataset for which there was no training set developed specifically. To demonstrate the applicability of IBRel, we used it to extract 27 miRNA-gene relations from recently published papers about cystic fibrosis. Our results demonstrate that our method can be successfully used to extract relations from literature about a biological process without an annotated corpus. The source code and data used in this study are available at https://github.com/AndreLamurias/IBRel. PMID:28263989

Extracting microRNA-gene relations from biomedical literature using distant supervision.

PubMed

Lamurias, Andre; Clarke, Luka A; Couto, Francisco M

2017-01-01

Many biomedical relation extraction approaches are based on supervised machine learning, requiring an annotated corpus. Distant supervision aims at training a classifier by combining a knowledge base with a corpus, reducing the amount of manual effort necessary. This is particularly useful for biomedicine because many databases and ontologies have been made available for many biological processes, while the availability of annotated corpora is still limited. We studied the extraction of microRNA-gene relations from text. MicroRNA regulation is an important biological process due to its close association with human diseases. The proposed method, IBRel, is based on distantly supervised multi-instance learning. We evaluated IBRel on three datasets, and the results were compared with a co-occurrence approach as well as a supervised machine learning algorithm. While supervised learning outperformed on two of those datasets, IBRel obtained an F-score 28.3 percentage points higher on the dataset for which there was no training set developed specifically. To demonstrate the applicability of IBRel, we used it to extract 27 miRNA-gene relations from recently published papers about cystic fibrosis. Our results demonstrate that our method can be successfully used to extract relations from literature about a biological process without an annotated corpus. The source code and data used in this study are available at https://github.com/AndreLamurias/IBRel.

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

PubMed Central

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

2012-01-01

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. PMID:22319115

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

PubMed

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.

Addressing uncertainty in atomistic machine learning.

PubMed

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.

Progressive sampling-based Bayesian optimization for efficient and automatic machine learning model selection.

PubMed

Zeng, Xueqiang; Luo, Gang

2017-12-01

Machine learning is broadly used for clinical data analysis. Before training a model, a machine learning algorithm must be selected. Also, the values of one or more model parameters termed hyper-parameters must be set. Selecting algorithms and hyper-parameter values requires advanced machine learning knowledge and many labor-intensive manual iterations. To lower the bar to machine learning, miscellaneous automatic selection methods for algorithms and/or hyper-parameter values have been proposed. Existing automatic selection methods are inefficient on large data sets. This poses a challenge for using machine learning in the clinical big data era. To address the challenge, this paper presents progressive sampling-based Bayesian optimization, an efficient and automatic selection method for both algorithms and hyper-parameter values. We report an implementation of the method. We show that compared to a state of the art automatic selection method, our method can significantly reduce search time, classification error rate, and standard deviation of error rate due to randomization. This is major progress towards enabling fast turnaround in identifying high-quality solutions required by many machine learning-based clinical data analysis tasks.

Bypassing the Kohn-Sham equations with machine learning.

PubMed

Brockherde, Felix; Vogt, Leslie; Li, Li; Tuckerman, Mark E; Burke, Kieron; Müller, Klaus-Robert

2017-10-11

Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields. Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve the Kohn-Sham equations. This should yield substantial savings in computer time, allowing larger systems and/or longer time-scales to be tackled, but attempts to machine-learn this functional have been limited by the need to find its derivative. The present work overcomes this difficulty by directly learning the density-potential and energy-density maps for test systems and various molecules. We perform the first molecular dynamics simulation with a machine-learned density functional on malonaldehyde and are able to capture the intramolecular proton transfer process. Learning density models now allows the construction of accurate density functionals for realistic molecular systems.Machine learning allows electronic structure calculations to access larger system sizes and, in dynamical simulations, longer time scales. Here, the authors perform such a simulation using a machine-learned density functional that avoids direct solution of the Kohn-Sham equations.

An Evolutionary Machine Learning Framework for Big Data Sequence Mining

ERIC Educational Resources Information Center

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…

Neuromorphic Optical Signal Processing and Image Understanding for Automated Target Recognition

DTIC Science & Technology

1989-12-01

34 Stochastic Learning Machine " Neuromorphic Target Identification * Cognitive Networks 3. Conclusions ..... ................ .. 12 4. Publications...16 5. References ...... ................... . 17 6. Appendices ....... .................. 18 I. Optoelectronic Neural Networks and...Learning Machines. II. Stochastic Optical Learning Machine. III. Learning Network for Extrapolation AccesFon For and Radar Target Identification

An iterative learning control method with application for CNC machine tools

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

Kim, D.I.; Kim, S.

1996-01-01

A proportional, integral, and derivative (PID) type iterative learning controller is proposed for precise tracking control of industrial robots and computer numerical controller (CNC) machine tools performing repetitive tasks. The convergence of the output error by the proposed learning controller is guaranteed under a certain condition even when the system parameters are not known exactly and unknown external disturbances exist. As the proposed learning controller is repeatedly applied to the industrial robot or the CNC machine tool with the path-dependent repetitive task, the distance difference between the desired path and the actual tracked or machined path, which is one ofmore » the most significant factors in the evaluation of control performance, is progressively reduced. The experimental results demonstrate that the proposed learning controller can improve machining accuracy when the CNC machine tool performs repetitive machining tasks.« less

Learning dominance relations in combinatorial search problems

NASA Technical Reports Server (NTRS)

Yu, Chee-Fen; Wah, Benjamin W.

1988-01-01

Dominance relations commonly are used to prune unnecessary nodes in search graphs, but they are problem-dependent and cannot be derived by a general procedure. The authors identify machine learning of dominance relations and the applicable learning mechanisms. A study of learning dominance relations using learning by experimentation is described. This system has been able to learn dominance relations for the 0/1-knapsack problem, an inventory problem, the reliability-by-replication problem, the two-machine flow shop problem, a number of single-machine scheduling problems, and a two-machine scheduling problem. It is considered that the same methodology can be extended to learn dominance relations in general.

Thutmose - Investigation of Machine Learning-Based Intrusion Detection Systems

DTIC Science & Technology

2016-06-01

research is being done to incorporate the field of machine learning into intrusion detection. Machine learning is a branch of artificial intelligence (AI...adversarial drift." Proceedings of the 2013 ACM workshop on Artificial intelligence and security. ACM. (2013) Kantarcioglu, M., Xi, B., and Clifton, C. "A...34 Proceedings of the 4th ACM workshop on Security and artificial intelligence . ACM. (2011) Dua, S., and Du, X. Data Mining and Machine Learning in

Large-Scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation

DTIC Science & Technology

2016-08-10

AFRL-AFOSR-JP-TR-2016-0073 Large-scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation ...2016 4.  TITLE AND SUBTITLE Large-scale Linear Optimization through Machine Learning: From Theory to Practical System Design and Implementation 5a...performances on various machine learning tasks and it naturally lends itself to fast parallel implementations . Despite this, very little work has been

ML-o-Scope: A Diagnostic Visualization System for Deep Machine Learning Pipelines

DTIC Science & Technology

2014-05-16

ML-o-scope: a diagnostic visualization system for deep machine learning pipelines Daniel Bruckner Electrical Engineering and Computer Sciences... machine learning pipelines 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f...the system as a support for tuning large scale object-classification pipelines. 1 Introduction A new generation of pipelined machine learning models

WebWatcher: Machine Learning and Hypertext

DTIC Science & Technology

1995-05-29

WebWatcher: Machine Learning and Hypertext Thorsten Joachims, Tom Mitchell, Dayne Freitag, and Robert Armstrong School of Computer Science Carnegie...HTML-page about machine learning in which we in- serted a hyperlink to WebWatcher (line 6). The user follows this hyperlink and gets to a page which...AND SUBTITLE WebWatcher: Machine Learning and Hypertext 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT

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

PubMed

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

2017-09-21

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

Enhanced Data Representation by Kernel Metric Learning for Dementia Diagnosis

PubMed Central

Cárdenas-Peña, David; Collazos-Huertas, Diego; Castellanos-Dominguez, German

2017-01-01

Alzheimer's disease (AD) is the kind of dementia that affects the most people around the world. Therefore, an early identification supporting effective treatments is required to increase the life quality of a wide number of patients. Recently, computer-aided diagnosis tools for dementia using Magnetic Resonance Imaging scans have been successfully proposed to discriminate between patients with AD, mild cognitive impairment, and healthy controls. Most of the attention has been given to the clinical data, provided by initiatives as the ADNI, supporting reliable researches on intervention, prevention, and treatments of AD. Therefore, there is a need for improving the performance of classification machines. In this paper, we propose a kernel framework for learning metrics that enhances conventional machines and supports the diagnosis of dementia. Our framework aims at building discriminative spaces through the maximization of center kernel alignment function, aiming at improving the discrimination of the three considered neurological classes. The proposed metric learning performance is evaluated on the widely-known ADNI database using three supervised classification machines (k-nn, SVM and NNs) for multi-class and bi-class scenarios from structural MRIs. Specifically, from ADNI collection 286 AD patients, 379 MCI patients and 231 healthy controls are used for development and validation of our proposed metric learning framework. For the experimental validation, we split the data into two subsets: 30% of subjects used like a blindfolded assessment and 70% employed for parameter tuning. Then, in the preprocessing stage, each structural MRI scan a total of 310 morphological measurements are automatically extracted from by FreeSurfer software package and concatenated to build an input feature matrix. Obtained test performance results, show that including a supervised metric learning improves the compared baseline classifiers in both scenarios. In the multi-class scenario, we achieve the best performance (accuracy 60.1%) for pretrained 1-layered NN, and we obtain measures over 90% in the average for HC vs. AD task. From the machine learning point of view, our proposal enhances the classifier performance by building spaces with a better class separability. From the clinical application, our enhancement results in a more balanced performance in each class than the compared approaches from the CADDementia challenge by increasing the sensitivity of pathological groups and the specificity of healthy controls. PMID:28798659

Development of a computer-based clinical decision support tool for selecting appropriate rehabilitation interventions for injured workers.

PubMed

Gross, Douglas P; Zhang, Jing; Steenstra, Ivan; Barnsley, Susan; Haws, Calvin; Amell, Tyler; McIntosh, Greg; Cooper, Juliette; Zaiane, Osmar

2013-12-01

To develop a classification algorithm and accompanying computer-based clinical decision support tool to help categorize injured workers toward optimal rehabilitation interventions based on unique worker characteristics. Population-based historical cohort design. Data were extracted from a Canadian provincial workers' compensation database on all claimants undergoing work assessment between December 2009 and January 2011. Data were available on: (1) numerous personal, clinical, occupational, and social variables; (2) type of rehabilitation undertaken; and (3) outcomes following rehabilitation (receiving time loss benefits or undergoing repeat programs). Machine learning, concerned with the design of algorithms to discriminate between classes based on empirical data, was the foundation of our approach to build a classification system with multiple independent and dependent variables. The population included 8,611 unique claimants. Subjects were predominantly employed (85 %) males (64 %) with diagnoses of sprain/strain (44 %). Baseline clinician classification accuracy was high (ROC = 0.86) for selecting programs that lead to successful return-to-work. Classification performance for machine learning techniques outperformed the clinician baseline classification (ROC = 0.94). The final classifiers were multifactorial and included the variables: injury duration, occupation, job attachment status, work status, modified work availability, pain intensity rating, self-rated occupational disability, and 9 items from the SF-36 Health Survey. The use of machine learning classification techniques appears to have resulted in classification performance better than clinician decision-making. The final algorithm has been integrated into a computer-based clinical decision support tool that requires additional validation in a clinical sample.

Machine Learning.

ERIC Educational Resources Information Center

Kirrane, Diane E.

1990-01-01

As scientists seek to develop machines that can "learn," that is, solve problems by imitating the human brain, a gold mine of information on the processes of human learning is being discovered, expert systems are being improved, and human-machine interactions are being enhanced. (SK)

Machine learning applications in genetics and genomics.

PubMed

Libbrecht, Maxwell W; Noble, William Stafford

2015-06-01

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

Quantum Machine Learning over Infinite Dimensions

DOE PAGES

Lau, Hoi-Kwan; Pooser, Raphael; Siopsis, George; ...

2017-02-21

Machine learning is a fascinating and exciting eld within computer science. Recently, this ex- citement has been transferred to the quantum information realm. Currently, all proposals for the quantum version of machine learning utilize the nite-dimensional substrate of discrete variables. Here we generalize quantum machine learning to the more complex, but still remarkably practi- cal, in nite-dimensional systems. We present the critical subroutines of quantum machine learning algorithms for an all-photonic continuous-variable quantum computer that achieve an exponential speedup compared to their equivalent classical counterparts. Finally, we also map out an experi- mental implementation which can be used as amore » blueprint for future photonic demonstrations.« less

Quantum Machine Learning over Infinite Dimensions

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

Lau, Hoi-Kwan; Pooser, Raphael; Siopsis, George

Machine learning is a fascinating and exciting eld within computer science. Recently, this ex- citement has been transferred to the quantum information realm. Currently, all proposals for the quantum version of machine learning utilize the nite-dimensional substrate of discrete variables. Here we generalize quantum machine learning to the more complex, but still remarkably practi- cal, in nite-dimensional systems. We present the critical subroutines of quantum machine learning algorithms for an all-photonic continuous-variable quantum computer that achieve an exponential speedup compared to their equivalent classical counterparts. Finally, we also map out an experi- mental implementation which can be used as amore » blueprint for future photonic demonstrations.« less

Machine learning and medicine: book review and commentary.

PubMed

Koprowski, Robert; Foster, Kenneth R

2018-02-01

This article is a review of the book "Master machine learning algorithms, discover how they work and implement them from scratch" (ISBN: not available, 37 USD, 163 pages) edited by Jason Brownlee published by the Author, edition, v1.10 http://MachineLearningMastery.com . An accompanying commentary discusses some of the issues that are involved with use of machine learning and data mining techniques to develop predictive models for diagnosis or prognosis of disease, and to call attention to additional requirements for developing diagnostic and prognostic algorithms that are generally useful in medicine. Appendix provides examples that illustrate potential problems with machine learning that are not addressed in the reviewed book.

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

DTIC Science & Technology

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

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

PubMed Central

2016-01-01

Background 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. Objective 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. Methods A multidisciplinary panel of machine learning experts, clinicians, and traditional statisticians were interviewed, using an iterative process in accordance with the Delphi method. Results 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. Conclusions 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. PMID:27986644

Predicting discharge mortality after acute ischemic stroke using balanced data.

PubMed

Ho, King Chung; Speier, William; El-Saden, Suzie; Liebeskind, David S; Saver, Jeffery L; Bui, Alex A T; Arnold, Corey W

2014-01-01

Several models have been developed to predict stroke outcomes (e.g., stroke mortality, patient dependence, etc.) in recent decades. However, there is little discussion regarding the problem of between-class imbalance in stroke datasets, which leads to prediction bias and decreased performance. In this paper, we demonstrate the use of the Synthetic Minority Over-sampling Technique to overcome such problems. We also compare state of the art machine learning methods and construct a six-variable support vector machine (SVM) model to predict stroke mortality at discharge. Finally, we discuss how the identification of a reduced feature set allowed us to identify additional cases in our research database for validation testing. Our classifier achieved a c-statistic of 0.865 on the cross-validated dataset, demonstrating good classification performance using a reduced set of variables.

Development and implementation of (Q)SAR modeling within the CHARMMing web-user interface.

PubMed

Weidlich, Iwona E; Pevzner, Yuri; Miller, Benjamin T; Filippov, Igor V; Woodcock, H Lee; Brooks, Bernard R

2015-01-05

Recent availability of large publicly accessible databases of chemical compounds and their biological activities (PubChem, ChEMBL) has inspired us to develop a web-based tool for structure activity relationship and quantitative structure activity relationship modeling to add to the services provided by CHARMMing (www.charmming.org). This new module implements some of the most recent advances in modern machine learning algorithms-Random Forest, Support Vector Machine, Stochastic Gradient Descent, Gradient Tree Boosting, so forth. A user can import training data from Pubchem Bioassay data collections directly from our interface or upload his or her own SD files which contain structures and activity information to create new models (either categorical or numerical). A user can then track the model generation process and run models on new data to predict activity. © 2014 Wiley Periodicals, Inc.

Decision Manifold Approximation for Physics-Based Simulations

NASA Technical Reports Server (NTRS)

Wong, Jay Ming; Samareh, Jamshid A.

2016-01-01

With the recent surge of success in big-data driven deep learning problems, many of these frameworks focus on the notion of architecture design and utilizing massive databases. However, in some scenarios massive sets of data may be difficult, and in some cases infeasible, to acquire. In this paper we discuss a trajectory-based framework that quickly learns the underlying decision manifold of binary simulation classifications while judiciously selecting exploratory target states to minimize the number of required simulations. Furthermore, we draw particular attention to the simulation prediction application idealized to the case where failures in simulations can be predicted and avoided, providing machine intelligence to novice analysts. We demonstrate this framework in various forms of simulations and discuss its efficacy.

Multiple machine learning based descriptive and predictive workflow for the identification of potential PTP1B inhibitors.

PubMed

Chandra, Sharat; Pandey, Jyotsana; Tamrakar, Akhilesh Kumar; Siddiqi, Mohammad Imran

2017-01-01

In insulin and leptin signaling pathway, Protein-Tyrosine Phosphatase 1B (PTP1B) plays a crucial controlling role as a negative regulator, which makes it an attractive therapeutic target for both Type-2 Diabetes (T2D) and obesity. In this work, we have generated classification models by using the inhibition data set of known PTP1B inhibitors to identify new inhibitors of PTP1B utilizing multiple machine learning techniques like naïve Bayesian, random forest, support vector machine and k-nearest neighbors, along with structural fingerprints and selected molecular descriptors. Several models from each algorithm have been constructed and optimized, with the different combination of molecular descriptors and structural fingerprints. For the training and test sets, most of the predictive models showed more than 90% of overall prediction accuracies. The best model was obtained with support vector machine approach and has Matthews Correlation Coefficient of 0.82 for the external test set, which was further employed for the virtual screening of Maybridge small compound database. Five compounds were subsequently selected for experimental assay. Out of these two compounds were found to inhibit PTP1B with significant inhibitory activity in in-vitro inhibition assay. The structural fragments which are important for PTP1B inhibition were identified by naïve Bayesian method and can be further exploited to design new molecules around the identified scaffolds. The descriptive and predictive modeling strategy applied in this study is capable of identifying PTP1B inhibitors from the large compound libraries. Copyright © 2016 Elsevier Inc. All rights reserved.

Support vector machines for nuclear reactor state estimation

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

Zavaljevski, N.; Gross, K. C.

2000-02-14

Validation of nuclear power reactor signals is often performed by comparing signal prototypes with the actual reactor signals. The signal prototypes are often computed based on empirical data. The implementation of an estimation algorithm which can make predictions on limited data is an important issue. A new machine learning algorithm called support vector machines (SVMS) recently developed by Vladimir Vapnik and his coworkers enables a high level of generalization with finite high-dimensional data. The improved generalization in comparison with standard methods like neural networks is due mainly to the following characteristics of the method. The input data space is transformedmore » into a high-dimensional feature space using a kernel function, and the learning problem is formulated as a convex quadratic programming problem with a unique solution. In this paper the authors have applied the SVM method for data-based state estimation in nuclear power reactors. In particular, they implemented and tested kernels developed at Argonne National Laboratory for the Multivariate State Estimation Technique (MSET), a nonlinear, nonparametric estimation technique with a wide range of applications in nuclear reactors. The methodology has been applied to three data sets from experimental and commercial nuclear power reactor applications. The results are promising. The combination of MSET kernels with the SVM method has better noise reduction and generalization properties than the standard MSET algorithm.« less

Genome-wide prediction and analysis of human tissue-selective genes using microarray expression data

PubMed Central

2013-01-01

Background Understanding how genes are expressed specifically in particular tissues is a fundamental question in developmental biology. Many tissue-specific genes are involved in the pathogenesis of complex human diseases. However, experimental identification of tissue-specific genes is time consuming and difficult. The accurate predictions of tissue-specific gene targets could provide useful information for biomarker development and drug target identification. Results In this study, we have developed a machine learning approach for predicting the human tissue-specific genes using microarray expression data. The lists of known tissue-specific genes for different tissues were collected from UniProt database, and the expression data retrieved from the previously compiled dataset according to the lists were used for input vector encoding. Random Forests (RFs) and Support Vector Machines (SVMs) were used to construct accurate classifiers. The RF classifiers were found to outperform SVM models for tissue-specific gene prediction. The results suggest that the candidate genes for brain or liver specific expression can provide valuable information for further experimental studies. Our approach was also applied for identifying tissue-selective gene targets for different types of tissues. Conclusions A machine learning approach has been developed for accurately identifying the candidate genes for tissue specific/selective expression. The approach provides an efficient way to select some interesting genes for developing new biomedical markers and improve our knowledge of tissue-specific expression. PMID:23369200

Approaches to Machine Learning.

DTIC Science & Technology

1984-02-16

The field of machine learning strives to develop methods and techniques to automatic the acquisition of new information, new skills, and new ways of organizing existing information. In this article, we review the major approaches to machine learning in symbolic domains, covering the tasks of learning concepts from examples, learning search methods, conceptual clustering, and language acquisition. We illustrate each of the basic approaches with paradigmatic examples. (Author)

Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions.

PubMed

Sedykh, Alexander; Fourches, Denis; Duan, Jianmin; Hucke, Oliver; Garneau, Michel; Zhu, Hao; Bonneau, Pierre; Tropsha, Alexander

2013-04-01

Membrane transporters mediate many biological effects of chemicals and play a major role in pharmacokinetics and drug resistance. The selection of viable drug candidates among biologically active compounds requires the assessment of their transporter interaction profiles. Using public sources, we have assembled and curated the largest, to our knowledge, human intestinal transporter database (>5,000 interaction entries for >3,700 molecules). This data was used to develop thoroughly validated classification Quantitative Structure-Activity Relationship (QSAR) models of transport and/or inhibition of several major transporters including MDR1, BCRP, MRP1-4, PEPT1, ASBT, OATP2B1, OCT1, and MCT1. QSAR models have been developed with advanced machine learning techniques such as Support Vector Machines, Random Forest, and k Nearest Neighbors using Dragon and MOE chemical descriptors. These models afforded high external prediction accuracies of 71-100% estimated by 5-fold external validation, and showed hit retrieval rates with up to 20-fold enrichment in the virtual screening of DrugBank compounds. The compendium of predictive QSAR models developed in this study can be used for virtual profiling of drug candidates and/or environmental agents with the optimal transporter profiles.

Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database

PubMed Central

Butkiewicz, Mariusz; Lowe, Edward W.; Mueller, Ralf; Mendenhall, Jeffrey L.; Teixeira, Pedro L.; Weaver, C. David; Meiler, Jens

2013-01-01

With the rapidly increasing availability of High-Throughput Screening (HTS) data in the public domain, such as the PubChem database, methods for ligand-based computer-aided drug discovery (LB-CADD) have the potential to accelerate and reduce the cost of probe development and drug discovery efforts in academia. We assemble nine data sets from realistic HTS campaigns representing major families of drug target proteins for benchmarking LB-CADD methods. Each data set is public domain through PubChem and carefully collated through confirmation screens validating active compounds. These data sets provide the foundation for benchmarking a new cheminformatics framework BCL::ChemInfo, which is freely available for non-commercial use. Quantitative structure activity relationship (QSAR) models are built using Artificial Neural Networks (ANNs), Support Vector Machines (SVMs), Decision Trees (DTs), and Kohonen networks (KNs). Problem-specific descriptor optimization protocols are assessed including Sequential Feature Forward Selection (SFFS) and various information content measures. Measures of predictive power and confidence are evaluated through cross-validation, and a consensus prediction scheme is tested that combines orthogonal machine learning algorithms into a single predictor. Enrichments ranging from 15 to 101 for a TPR cutoff of 25% are observed. PMID:23299552

Machine Learning in the Big Data Era: Are We There Yet?

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

Sukumar, Sreenivas Rangan

In this paper, we discuss the machine learning challenges of the Big Data era. We observe that recent innovations in being able to collect, access, organize, integrate, and query massive amounts of data from a wide variety of data sources have brought statistical machine learning under more scrutiny and evaluation for gleaning insights from the data than ever before. In that context, we pose and debate the question - Are machine learning algorithms scaling with the ability to store and compute? If yes, how? If not, why not? We survey recent developments in the state-of-the-art to discuss emerging and outstandingmore » challenges in the design and implementation of machine learning algorithms at scale. We leverage experience from real-world Big Data knowledge discovery projects across domains of national security and healthcare to suggest our efforts be focused along the following axes: (i) the data science challenge - designing scalable and flexible computational architectures for machine learning (beyond just data-retrieval); (ii) the science of data challenge the ability to understand characteristics of data before applying machine learning algorithms and tools; and (iii) the scalable predictive functions challenge the ability to construct, learn and infer with increasing sample size, dimensionality, and categories of labels. We conclude with a discussion of opportunities and directions for future research.« less

Machine Learning

DTIC Science & Technology

1990-04-01

DTIC i.LE COPY RADC-TR-90-25 Final Technical Report April 1990 MACHINE LEARNING The MITRE Corporation Melissa P. Chase Cs) CTIC ’- CT E 71 IN 2 11990...S. FUNDING NUMBERS MACHINE LEARNING C - F19628-89-C-0001 PE - 62702F PR - MOlE S. AUTHO(S) TA - 79 Melissa P. Chase WUT - 80 S. PERFORMING...341.280.5500 pm I " Aw Sig rill Ia 2110-01 SECTION 1 INTRODUCTION 1.1 BACKGROUND Research in machine learning has taken two directions in the problem of

Workshop on Fielded Applications of Machine Learning Held in Amherst, Massachusetts on 30 June-1 July 1993. Abstracts.

DTIC Science & Technology

1993-01-01

engineering has led to many AI systems that are now regularly used in industry and elsewhere. The ultimate test of machine learning , the subfield of Al that...applications of machine learning suggest the time was ripe for a meeting on this topic. For this reason, Pat Langley (Siemens Corporate Research) and Yves...Kodratoff (Universite de Paris, Sud) organized an invited workshop on applications of machine learning . The goal of the gathering was to familiarize

Large-Scale Image Analytics Using Deep Learning

NASA Astrophysics Data System (ADS)

Ganguly, S.; Nemani, R. R.; Basu, S.; Mukhopadhyay, S.; Michaelis, A.; Votava, P.

2014-12-01

High resolution land cover classification maps are needed to increase the accuracy of current Land ecosystem and climate model outputs. Limited studies are in place that demonstrates the state-of-the-art in deriving very high resolution (VHR) land cover products. In addition, most methods heavily rely on commercial softwares that are difficult to scale given the region of study (e.g. continents to globe). Complexities in present approaches relate to (a) scalability of the algorithm, (b) large image data processing (compute and memory intensive), (c) computational cost, (d) massively parallel architecture, and (e) machine learning automation. In addition, VHR satellite datasets are of the order of terabytes and features extracted from these datasets are of the order of petabytes. In our present study, we have acquired the National Agricultural Imaging Program (NAIP) dataset for the Continental United States at a spatial resolution of 1-m. This data comes as image tiles (a total of quarter million image scenes with ~60 million pixels) and has a total size of ~100 terabytes for a single acquisition. Features extracted from the entire dataset would amount to ~8-10 petabytes. In our proposed approach, we have implemented a novel semi-automated machine learning algorithm rooted on the principles of "deep learning" to delineate the percentage of tree cover. In order to perform image analytics in such a granular system, it is mandatory to devise an intelligent archiving and query system for image retrieval, file structuring, metadata processing and filtering of all available image scenes. Using the Open NASA Earth Exchange (NEX) initiative, which is a partnership with Amazon Web Services (AWS), we have developed an end-to-end architecture for designing the database and the deep belief network (following the distbelief computing model) to solve a grand challenge of scaling this process across quarter million NAIP tiles that cover the entire Continental United States. The AWS core components that we use to solve this problem are DynamoDB along with S3 for database query and storage, ElastiCache shared memory architecture for image segmentation, Elastic Map Reduce (EMR) for image feature extraction, and the memory optimized Elastic Cloud Compute (EC2) for the learning algorithm.

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

PubMed

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

2015-11-01

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

Machine learning in autistic spectrum disorder behavioral research: A review and ways forward.

PubMed

Thabtah, Fadi

2018-02-13

Autistic Spectrum Disorder (ASD) is a mental disorder that retards acquisition of linguistic, communication, cognitive, and social skills and abilities. Despite being diagnosed with ASD, some individuals exhibit outstanding scholastic, non-academic, and artistic capabilities, in such cases posing a challenging task for scientists to provide answers. In the last few years, ASD has been investigated by social and computational intelligence scientists utilizing advanced technologies such as machine learning to improve diagnostic timing, precision, and quality. Machine learning is a multidisciplinary research topic that employs intelligent techniques to discover useful concealed patterns, which are utilized in prediction to improve decision making. Machine learning techniques such as support vector machines, decision trees, logistic regressions, and others, have been applied to datasets related to autism in order to construct predictive models. These models claim to enhance the ability of clinicians to provide robust diagnoses and prognoses of ASD. However, studies concerning the use of machine learning in ASD diagnosis and treatment suffer from conceptual, implementation, and data issues such as the way diagnostic codes are used, the type of feature selection employed, the evaluation measures chosen, and class imbalances in data among others. A more serious claim in recent studies is the development of a new method for ASD diagnoses based on machine learning. This article critically analyses these recent investigative studies on autism, not only articulating the aforementioned issues in these studies but also recommending paths forward that enhance machine learning use in ASD with respect to conceptualization, implementation, and data. Future studies concerning machine learning in autism research are greatly benefitted by such proposals.

Detecting Abnormal Word Utterances in Children With Autism Spectrum Disorders: Machine-Learning-Based Voice Analysis Versus Speech Therapists.

PubMed

Nakai, Yasushi; Takiguchi, Tetsuya; Matsui, Gakuyo; Yamaoka, Noriko; Takada, Satoshi

2017-10-01

Abnormal prosody is often evident in the voice intonations of individuals with autism spectrum disorders. We compared a machine-learning-based voice analysis with human hearing judgments made by 10 speech therapists for classifying children with autism spectrum disorders ( n = 30) and typical development ( n = 51). Using stimuli limited to single-word utterances, machine-learning-based voice analysis was superior to speech therapist judgments. There was a significantly higher true-positive than false-negative rate for machine-learning-based voice analysis but not for speech therapists. Results are discussed in terms of some artificiality of clinician judgments based on single-word utterances, and the objectivity machine-learning-based voice analysis adds to judging abnormal prosody.

Logic Learning Machine and standard supervised methods for Hodgkin's lymphoma prognosis using gene expression data and clinical variables.

PubMed

Parodi, Stefano; Manneschi, Chiara; Verda, Damiano; Ferrari, Enrico; Muselli, Marco

2018-03-01

This study evaluates the performance of a set of machine learning techniques in predicting the prognosis of Hodgkin's lymphoma using clinical factors and gene expression data. Analysed samples from 130 Hodgkin's lymphoma patients included a small set of clinical variables and more than 54,000 gene features. Machine learning classifiers included three black-box algorithms ( k-nearest neighbour, Artificial Neural Network, and Support Vector Machine) and two methods based on intelligible rules (Decision Tree and the innovative Logic Learning Machine method). Support Vector Machine clearly outperformed any of the other methods. Among the two rule-based algorithms, Logic Learning Machine performed better and identified a set of simple intelligible rules based on a combination of clinical variables and gene expressions. Decision Tree identified a non-coding gene ( XIST) involved in the early phases of X chromosome inactivation that was overexpressed in females and in non-relapsed patients. XIST expression might be responsible for the better prognosis of female Hodgkin's lymphoma patients.

Probabilistic machine learning and artificial intelligence.

PubMed

Ghahramani, Zoubin

2015-05-28

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

Probabilistic machine learning and artificial intelligence

NASA Astrophysics Data System (ADS)

Ghahramani, Zoubin

2015-05-01

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

Machine Learning Techniques in Clinical Vision Sciences.

PubMed

Caixinha, Miguel; Nunes, Sandrina

2017-01-01

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

Multi-Stage Convex Relaxation Methods for Machine Learning

DTIC Science & Technology

2013-03-01

Many problems in machine learning can be naturally formulated as non-convex optimization problems. However, such direct nonconvex formulations have...original nonconvex formulation. We will develop theoretical properties of this method and algorithmic consequences. Related convex and nonconvex machine learning methods will also be investigated.

Machine Learning for the Knowledge Plane

DTIC Science & Technology

2006-06-01

this idea is to combine techniques from machine learning with new architectural concepts in networking to make the internet self-aware and self...work on the machine learning portion of the Knowledge Plane. This consisted of three components: (a) we wrote a document formulating the various

Machine learning and data science in soft materials engineering

NASA Astrophysics Data System (ADS)

Ferguson, Andrew L.

2018-01-01

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

Machine learning and data science in soft materials engineering.

PubMed

Ferguson, Andrew L

2018-01-31

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

A Parameter Communication Optimization Strategy for Distributed Machine Learning in Sensors

PubMed Central

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

2017-01-01

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

Machine Learning Approaches for Clinical Psychology and Psychiatry.

PubMed

Dwyer, Dominic B; Falkai, Peter; Koutsouleris, Nikolaos

2018-05-07

Machine learning approaches for clinical psychology and psychiatry explicitly focus on learning statistical functions from multidimensional data sets to make generalizable predictions about individuals. The goal of this review is to provide an accessible understanding of why this approach is important for future practice given its potential to augment decisions associated with the diagnosis, prognosis, and treatment of people suffering from mental illness using clinical and biological data. To this end, the limitations of current statistical paradigms in mental health research are critiqued, and an introduction is provided to critical machine learning methods used in clinical studies. A selective literature review is then presented aiming to reinforce the usefulness of machine learning methods and provide evidence of their potential. In the context of promising initial results, the current limitations of machine learning approaches are addressed, and considerations for future clinical translation are outlined.

Learning About Climate and Atmospheric Models Through Machine Learning

NASA Astrophysics Data System (ADS)

Lucas, D. D.

2017-12-01

From the analysis of ensemble variability to improving simulation performance, machine learning algorithms can play a powerful role in understanding the behavior of atmospheric and climate models. To learn about model behavior, we create training and testing data sets through ensemble techniques that sample different model configurations and values of input parameters, and then use supervised machine learning to map the relationships between the inputs and outputs. Following this procedure, we have used support vector machines, random forests, gradient boosting and other methods to investigate a variety of atmospheric and climate model phenomena. We have used machine learning to predict simulation crashes, estimate the probability density function of climate sensitivity, optimize simulations of the Madden Julian oscillation, assess the impacts of weather and emissions uncertainty on atmospheric dispersion, and quantify the effects of model resolution changes on precipitation. This presentation highlights recent examples of our applications of machine learning to improve the understanding of climate and atmospheric models. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Symbolic rule-based classification of lung cancer stages from free-text pathology reports.

PubMed

Nguyen, Anthony N; Lawley, Michael J; Hansen, David P; Bowman, Rayleen V; Clarke, Belinda E; Duhig, Edwina E; Colquist, Shoni

2010-01-01

To classify automatically lung tumor-node-metastases (TNM) cancer stages from free-text pathology reports using symbolic rule-based classification. By exploiting report substructure and the symbolic manipulation of systematized nomenclature of medicine-clinical terms (SNOMED CT) concepts in reports, statements in free text can be evaluated for relevance against factors relating to the staging guidelines. Post-coordinated SNOMED CT expressions based on templates were defined and populated by concepts in reports, and tested for subsumption by staging factors. The subsumption results were used to build logic according to the staging guidelines to calculate the TNM stage. The accuracy measure and confusion matrices were used to evaluate the TNM stages classified by the symbolic rule-based system. The system was evaluated against a database of multidisciplinary team staging decisions and a machine learning-based text classification system using support vector machines. Overall accuracy on a corpus of pathology reports for 718 lung cancer patients against a database of pathological TNM staging decisions were 72%, 78%, and 94% for T, N, and M staging, respectively. The system's performance was also comparable to support vector machine classification approaches. A system to classify lung TNM stages from free-text pathology reports was developed, and it was verified that the symbolic rule-based approach using SNOMED CT can be used for the extraction of key lung cancer characteristics from free-text reports. Future work will investigate the applicability of using the proposed methodology for extracting other cancer characteristics and types.

Automation of energy demand forecasting

NASA Astrophysics Data System (ADS)

Siddique, Sanzad

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

Applications of machine learning in cancer prediction and prognosis.

PubMed

Cruz, Joseph A; Wishart, David S

2007-02-11

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

A review of supervised machine learning applied to ageing research.

PubMed

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.

A Two-Layer Least Squares Support Vector Machine Approach to Credit Risk Assessment

NASA Astrophysics Data System (ADS)

Liu, Jingli; Li, Jianping; Xu, Weixuan; Shi, Yong

Least squares support vector machine (LS-SVM) is a revised version of support vector machine (SVM) and has been proved to be a useful tool for pattern recognition. LS-SVM had excellent generalization performance and low computational cost. In this paper, we propose a new method called two-layer least squares support vector machine which combines kernel principle component analysis (KPCA) and linear programming form of least square support vector machine. With this method sparseness and robustness is obtained while solving large dimensional and large scale database. A U.S. commercial credit card database is used to test the efficiency of our method and the result proved to be a satisfactory one.

Exploring the color feature power for psoriasis risk stratification and classification: A data mining paradigm.

PubMed

Shrivastava, Vimal K; Londhe, Narendra D; Sonawane, Rajendra S; Suri, Jasjit S

2015-10-01

A large percentage of dermatologist׳s decision in psoriasis disease assessment is based on color. The current computer-aided diagnosis systems for psoriasis risk stratification and classification lack the vigor of color paradigm. The paper presents an automated psoriasis computer-aided diagnosis (pCAD) system for classification of psoriasis skin images into psoriatic lesion and healthy skin, which solves the two major challenges: (i) fulfills the color feature requirements and (ii) selects the powerful dominant color features while retaining high classification accuracy. Fourteen color spaces are discovered for psoriasis disease analysis leading to 86 color features. The pCAD system is implemented in a support vector-based machine learning framework where the offline image data set is used for computing machine learning offline color machine learning parameters. These are then used for transformation of the online color features to predict the class labels for healthy vs. diseased cases. The above paradigm uses principal component analysis for color feature selection of dominant features, keeping the original color feature unaltered. Using the cross-validation protocol, the above machine learning protocol is compared against the standalone grayscale features with 60 features and against the combined grayscale and color feature set of 146. Using a fixed data size of 540 images with equal number of healthy and diseased, 10 fold cross-validation protocol, and SVM of polynomial kernel of type two, pCAD system shows an accuracy of 99.94% with sensitivity and specificity of 99.93% and 99.96%. Using a varying data size protocol, the mean classification accuracies for color, grayscale, and combined scenarios are: 92.85%, 93.83% and 93.99%, respectively. The reliability of the system in these three scenarios are: 94.42%, 97.39% and 96.00%, respectively. We conclude that pCAD system using color space alone is compatible to grayscale space or combined color and grayscale spaces. We validated our pCAD system against facial color databases and the results are consistent in accuracy and reliability. Copyright © 2015 Elsevier Ltd. All rights reserved.

Machine Learning Approaches to Increasing Value of Spaceflight Omics Databases

NASA Technical Reports Server (NTRS)

Gentry, Diana

2017-01-01

The number of spaceflight bioscience mission opportunities is too small to allow all relevant biological and environmental parameters to be experimentally identified. Simulated spaceflight experiments in ground-based facilities (GBFs), such as clinostats, are each suitable only for particular investigations -- a rotating-wall vessel may be 'simulated microgravity' for cell differentiation (hours), but not DNA repair (seconds) -- and introduce confounding stimuli, such as motor vibration and fluid shear effects. This uncertainty over which biological mechanisms respond to a given form of simulated space radiation or gravity, as well as its side effects, limits our ability to baseline spaceflight data and validate mission science. Machine learning techniques autonomously identify relevant and interdependent factors in a data set given the set of desired metrics to be evaluated: to automatically identify related studies, compare data from related studies, or determine linkages between types of data in the same study. System-of-systems (SoS) machine learning models have the ability to deal with both sparse and heterogeneous data, such as that provided by the small and diverse number of space biosciences flight missions; however, they require appropriate user-defined metrics for any given data set. Although machine learning in bioinformatics is rapidly expanding, the need to combine spaceflight/GBF mission parameters with omics data is unique. This work characterizes the basic requirements for implementing the SoS approach through the System Map (SM) technique, a composite of a dynamic Bayesian network and Gaussian mixture model, in real-world repositories such as the GeneLab Data System and Life Sciences Data Archive. The three primary steps are metadata management for experimental description using open-source ontologies, defining similarity and consistency metrics, and generating testing and validation data sets. Such approaches to spaceflight and GBF omics data may soon enable unique insight into which measured phenomena correlate to biological mechanisms that are truly affected by spaceflight conditions; which are most likely to be confounded by other variables; and which are insufficiently characterized, significantly increasing existing and future science return from ISS and spaceflight missions.

Machine learning, social learning and the governance of self-driving cars.

PubMed

Stilgoe, Jack

2018-02-01

Self-driving cars, a quintessentially 'smart' technology, are not born smart. The algorithms that control their movements are learning as the technology emerges. Self-driving cars represent a high-stakes test of the powers of machine learning, as well as a test case for social learning in technology governance. Society is learning about the technology while the technology learns about society. Understanding and governing the politics of this technology means asking 'Who is learning, what are they learning and how are they learning?' Focusing on the successes and failures of social learning around the much-publicized crash of a Tesla Model S in 2016, I argue that trajectories and rhetorics of machine learning in transport pose a substantial governance challenge. 'Self-driving' or 'autonomous' cars are misnamed. As with other technologies, they are shaped by assumptions about social needs, solvable problems, and economic opportunities. Governing these technologies in the public interest means improving social learning by constructively engaging with the contingencies of machine learning.

Robust Fault Diagnosis in Electric Drives Using Machine Learning

DTIC Science & Technology

2004-09-08

detection of fault conditions of the inverter. A machine learning framework is developed to systematically select torque-speed domain operation points...were used to generate various fault condition data for machine learning . The technique is viable for accurate, reliable and fast fault detection in electric drives.

Agents Technology Research

DTIC Science & Technology

2010-02-01

multi-agent reputation management. State abstraction is a technique used to allow machine learning technologies to cope with problems that have large...state abstrac- tion process to enable reinforcement learning in domains with large state spaces. State abstraction is vital to machine learning ...across a collective of independent platforms. These individual elements, often referred to as agents in the machine learning community, should exhibit both

Machine learning approaches in medical image analysis: From detection to diagnosis.

PubMed

de Bruijne, Marleen

2016-10-01

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. Copyright © 2016 Elsevier B.V. All rights reserved.

Testing meta tagger

DTIC Science & Technology

2017-12-21

rank , and computer vision. Machine learning is closely related to (and often overlaps with) computational statistics, which also focuses on...Machine learning is a field of computer science that gives computers the ability to learn without being explicitly programmed.[1] Arthur Samuel...an American pioneer in the field of computer gaming and artificial intelligence, coined the term "Machine Learning " in 1959 while at IBM[2]. Evolved

A novel deep learning algorithm for incomplete face recognition: Low-rank-recovery network.

PubMed

Zhao, Jianwei; Lv, Yongbiao; Zhou, Zhenghua; Cao, Feilong

2017-10-01

There have been a lot of methods to address the recognition of complete face images. However, in real applications, the images to be recognized are usually incomplete, and it is more difficult to realize such a recognition. In this paper, a novel convolution neural network frame, named a low-rank-recovery network (LRRNet), is proposed to conquer the difficulty effectively inspired by matrix completion and deep learning techniques. The proposed LRRNet first recovers the incomplete face images via an approach of matrix completion with the truncated nuclear norm regularization solution, and then extracts some low-rank parts of the recovered images as the filters. With these filters, some important features are obtained by means of the binaryzation and histogram algorithms. Finally, these features are classified with the classical support vector machines (SVMs). The proposed LRRNet method has high face recognition rate for the heavily corrupted images, especially for the images in the large databases. The proposed LRRNet performs well and efficiently for the images with heavily corrupted, especially in the case of large databases. Extensive experiments on several benchmark databases demonstrate that the proposed LRRNet performs better than some other excellent robust face recognition methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Assessing and comparison of different machine learning methods in parent-offspring trios for genotype imputation.

PubMed

Mikhchi, Abbas; Honarvar, Mahmood; Kashan, Nasser Emam Jomeh; Aminafshar, Mehdi

2016-06-21

Genotype imputation is an important tool for prediction of unknown genotypes for both unrelated individuals and parent-offspring trios. Several imputation methods are available and can either employ universal machine learning methods, or deploy algorithms dedicated to infer missing genotypes. In this research the performance of eight machine learning methods: Support Vector Machine, K-Nearest Neighbors, Extreme Learning Machine, Radial Basis Function, Random Forest, AdaBoost, LogitBoost, and TotalBoost compared in terms of the imputation accuracy, computation time and the factors affecting imputation accuracy. The methods employed using real and simulated datasets to impute the un-typed SNPs in parent-offspring trios. The tested methods show that imputation of parent-offspring trios can be accurate. The Random Forest and Support Vector Machine were more accurate than the other machine learning methods. The TotalBoost performed slightly worse than the other methods.The running times were different between methods. The ELM was always most fast algorithm. In case of increasing the sample size, the RBF requires long imputation time.The tested methods in this research can be an alternative for imputation of un-typed SNPs in low missing rate of data. However, it is recommended that other machine learning methods to be used for imputation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Combining Machine Learning and Natural Language Processing to Assess Literary Text Comprehension

ERIC Educational Resources Information Center

Balyan, Renu; McCarthy, Kathryn S.; McNamara, Danielle S.

2017-01-01

This study examined how machine learning and natural language processing (NLP) techniques can be leveraged to assess the interpretive behavior that is required for successful literary text comprehension. We compared the accuracy of seven different machine learning classification algorithms in predicting human ratings of student essays about…

Implementing Machine Learning in Radiology Practice and Research.

PubMed

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.

Electromyography data for non-invasive naturally-controlled robotic hand prostheses

PubMed Central

Atzori, Manfredo; Gijsberts, Arjan; Castellini, Claudio; Caputo, Barbara; Hager, Anne-Gabrielle Mittaz; Elsig, Simone; Giatsidis, Giorgio; Bassetto, Franco; Müller, Henning

2014-01-01

Recent advances in rehabilitation robotics suggest that it may be possible for hand-amputated subjects to recover at least a significant part of the lost hand functionality. The control of robotic prosthetic hands using non-invasive techniques is still a challenge in real life: myoelectric prostheses give limited control capabilities, the control is often unnatural and must be learned through long training times. Meanwhile, scientific literature results are promising but they are still far from fulfilling real-life needs. This work aims to close this gap by allowing worldwide research groups to develop and test movement recognition and force control algorithms on a benchmark scientific database. The database is targeted at studying the relationship between surface electromyography, hand kinematics and hand forces, with the final goal of developing non-invasive, naturally controlled, robotic hand prostheses. The validation section verifies that the data are similar to data acquired in real-life conditions, and that recognition of different hand tasks by applying state-of-the-art signal features and machine-learning algorithms is possible. PMID:25977804

Prediction of outcome in internet-delivered cognitive behaviour therapy for paediatric obsessive-compulsive disorder: A machine learning approach.

PubMed

Lenhard, Fabian; Sauer, Sebastian; Andersson, Erik; Månsson, Kristoffer Nt; Mataix-Cols, David; Rück, Christian; Serlachius, Eva

2018-03-01

There are no consistent predictors of treatment outcome in paediatric obsessive-compulsive disorder (OCD). One reason for this might be the use of suboptimal statistical methodology. Machine learning is an approach to efficiently analyse complex data. Machine learning has been widely used within other fields, but has rarely been tested in the prediction of paediatric mental health treatment outcomes. To test four different machine learning methods in the prediction of treatment response in a sample of paediatric OCD patients who had received Internet-delivered cognitive behaviour therapy (ICBT). Participants were 61 adolescents (12-17 years) who enrolled in a randomized controlled trial and received ICBT. All clinical baseline variables were used to predict strictly defined treatment response status three months after ICBT. Four machine learning algorithms were implemented. For comparison, we also employed a traditional logistic regression approach. Multivariate logistic regression could not detect any significant predictors. In contrast, all four machine learning algorithms performed well in the prediction of treatment response, with 75 to 83% accuracy. The results suggest that machine learning algorithms can successfully be applied to predict paediatric OCD treatment outcome. Validation studies and studies in other disorders are warranted. Copyright © 2017 John Wiley & Sons, Ltd.

On the Safety of Machine Learning: Cyber-Physical Systems, Decision Sciences, and Data Products.

PubMed

Varshney, Kush R; Alemzadeh, Homa

2017-09-01

Machine learning algorithms increasingly influence our decisions and interact with us in all parts of our daily lives. Therefore, just as we consider the safety of power plants, highways, and a variety of other engineered socio-technical systems, we must also take into account the safety of systems involving machine learning. Heretofore, the definition of safety has not been formalized in a machine learning context. In this article, we do so by defining machine learning safety in terms of risk, epistemic uncertainty, and the harm incurred by unwanted outcomes. We then use this definition to examine safety in all sorts of applications in cyber-physical systems, decision sciences, and data products. We find that the foundational principle of modern statistical machine learning, empirical risk minimization, is not always a sufficient objective. We discuss how four different categories of strategies for achieving safety in engineering, including inherently safe design, safety reserves, safe fail, and procedural safeguards can be mapped to a machine learning context. We then discuss example techniques that can be adopted in each category, such as considering interpretability and causality of predictive models, objective functions beyond expected prediction accuracy, human involvement for labeling difficult or rare examples, and user experience design of software and open data.

FDT 2.0: Improving scalability of the fuzzy decision tree induction tool - integrating database storage.

PubMed

Durham, Erin-Elizabeth A; Yu, Xiaxia; Harrison, Robert W

2014-12-01

Effective machine-learning handles large datasets efficiently. One key feature of handling large data is the use of databases such as MySQL. The freeware fuzzy decision tree induction tool, FDT, is a scalable supervised-classification software tool implementing fuzzy decision trees. It is based on an optimized fuzzy ID3 (FID3) algorithm. FDT 2.0 improves upon FDT 1.0 by bridging the gap between data science and data engineering: it combines a robust decisioning tool with data retention for future decisions, so that the tool does not need to be recalibrated from scratch every time a new decision is required. In this paper we briefly review the analytical capabilities of the freeware FDT tool and its major features and functionalities; examples of large biological datasets from HIV, microRNAs and sRNAs are included. This work shows how to integrate fuzzy decision algorithms with modern database technology. In addition, we show that integrating the fuzzy decision tree induction tool with database storage allows for optimal user satisfaction in today's Data Analytics world.

Recent developments in machine learning applications in landslide susceptibility mapping

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

Machine vision systems using machine learning for industrial product inspection

NASA Astrophysics Data System (ADS)

Lu, Yi; Chen, Tie Q.; Chen, Jie; Zhang, Jian; Tisler, Anthony

2002-02-01

Machine vision inspection requires efficient processing time and accurate results. In this paper, we present a machine vision inspection architecture, SMV (Smart Machine Vision). SMV decomposes a machine vision inspection problem into two stages, Learning Inspection Features (LIF), and On-Line Inspection (OLI). The LIF is designed to learn visual inspection features from design data and/or from inspection products. During the OLI stage, the inspection system uses the knowledge learnt by the LIF component to inspect the visual features of products. In this paper we will present two machine vision inspection systems developed under the SMV architecture for two different types of products, Printed Circuit Board (PCB) and Vacuum Florescent Displaying (VFD) boards. In the VFD board inspection system, the LIF component learns inspection features from a VFD board and its displaying patterns. In the PCB board inspection system, the LIF learns the inspection features from the CAD file of a PCB board. In both systems, the LIF component also incorporates interactive learning to make the inspection system more powerful and efficient. The VFD system has been deployed successfully in three different manufacturing companies and the PCB inspection system is the process of being deployed in a manufacturing plant.

The application of machine learning techniques in the clinical drug therapy.

PubMed

Meng, Huan-Yu; Jin, Wan-Lin; Yan, Cheng-Kai; Yang, Huan

2018-05-25

The development of a novel drug is an extremely complicated process that includes the target identification, design and manufacture, and proper therapy of the novel drug, as well as drug dose selection, drug efficacy evaluation, and adverse drug reaction control. Due to the limited resources, high costs, long duration, and low hit-to-lead ratio in the development of pharmacogenetics and computer technology, machine learning techniques have assisted novel drug development and have gradually received more attention by researchers. According to current research, machine learning techniques are widely applied in the process of the discovery of new drugs and novel drug targets, the decision surrounding proper therapy and drug dose, and the prediction of drug efficacy and adverse drug reactions. In this article, we discussed the history, workflow, and advantages and disadvantages of machine learning techniques in the processes mentioned above. Although the advantages of machine learning techniques are fairly obvious, the application of machine learning techniques is currently limited. With further research, the application of machine techniques in drug development could be much more widespread and could potentially be one of the major methods used in drug development. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

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

PubMed

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

2017-06-19

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

Machine Learning, deep learning and optimization in computer vision

NASA Astrophysics Data System (ADS)

Canu, Stéphane

2017-03-01

As quoted in the Large Scale Computer Vision Systems NIPS workshop, computer vision is a mature field with a long tradition of research, but recent advances in machine learning, deep learning, representation learning and optimization have provided models with new capabilities to better understand visual content. The presentation will go through these new developments in machine learning covering basic motivations, ideas, models and optimization in deep learning for computer vision, identifying challenges and opportunities. It will focus on issues related with large scale learning that is: high dimensional features, large variety of visual classes, and large number of examples.

Machine Learning in Radiology: Applications Beyond Image Interpretation.

PubMed

Lakhani, Paras; Prater, Adam B; Hutson, R Kent; Andriole, Kathy P; Dreyer, Keith J; Morey, Jose; Prevedello, Luciano M; Clark, Toshi J; Geis, J Raymond; Itri, Jason N; Hawkins, C Matthew

2018-02-01

Much attention has been given to machine learning and its perceived impact in radiology, particularly in light of recent success with image classification in international competitions. However, machine learning is likely to impact radiology outside of image interpretation long before a fully functional "machine radiologist" is implemented in practice. Here, we describe an overview of machine learning, its application to radiology and other domains, and many cases of use that do not involve image interpretation. We hope that better understanding of these potential applications will help radiology practices prepare for the future and realize performance improvement and efficiency gains. Copyright © 2017 American College of Radiology. Published by Elsevier Inc. All rights reserved.

Prostate Cancer Probability Prediction By Machine Learning Technique.

PubMed

Jović, Srđan; Miljković, Milica; Ivanović, Miljan; Šaranović, Milena; Arsić, Milena

2017-11-26

The main goal of the study was to explore possibility of prostate cancer prediction by machine learning techniques. In order to improve the survival probability of the prostate cancer patients it is essential to make suitable prediction models of the prostate cancer. If one make relevant prediction of the prostate cancer it is easy to create suitable treatment based on the prediction results. Machine learning techniques are the most common techniques for the creation of the predictive models. Therefore in this study several machine techniques were applied and compared. The obtained results were analyzed and discussed. It was concluded that the machine learning techniques could be used for the relevant prediction of prostate cancer.

Robust representation and recognition of facial emotions using extreme sparse learning.

PubMed

Shojaeilangari, Seyedehsamaneh; Yau, Wei-Yun; Nandakumar, Karthik; Li, Jun; Teoh, Eam Khwang

2015-07-01

Recognition of natural emotions from human faces is an interesting topic with a wide range of potential applications, such as human-computer interaction, automated tutoring systems, image and video retrieval, smart environments, and driver warning systems. Traditionally, facial emotion recognition systems have been evaluated on laboratory controlled data, which is not representative of the environment faced in real-world applications. To robustly recognize the facial emotions in real-world natural situations, this paper proposes an approach called extreme sparse learning, which has the ability to jointly learn a dictionary (set of basis) and a nonlinear classification model. The proposed approach combines the discriminative power of extreme learning machine with the reconstruction property of sparse representation to enable accurate classification when presented with noisy signals and imperfect data recorded in natural settings. In addition, this paper presents a new local spatio-temporal descriptor that is distinctive and pose-invariant. The proposed framework is able to achieve the state-of-the-art recognition accuracy on both acted and spontaneous facial emotion databases.

Digital mammographic tumor classification using transfer learning from deep convolutional neural networks.

PubMed

Huynh, Benjamin Q; Li, Hui; Giger, Maryellen L

2016-07-01

Convolutional neural networks (CNNs) show potential for computer-aided diagnosis (CADx) by learning features directly from the image data instead of using analytically extracted features. However, CNNs are difficult to train from scratch for medical images due to small sample sizes and variations in tumor presentations. Instead, transfer learning can be used to extract tumor information from medical images via CNNs originally pretrained for nonmedical tasks, alleviating the need for large datasets. Our database includes 219 breast lesions (607 full-field digital mammographic images). We compared support vector machine classifiers based on the CNN-extracted image features and our prior computer-extracted tumor features in the task of distinguishing between benign and malignant breast lesions. Five-fold cross validation (by lesion) was conducted with the area under the receiver operating characteristic (ROC) curve as the performance metric. Results show that classifiers based on CNN-extracted features (with transfer learning) perform comparably to those using analytically extracted features [area under the ROC curve [Formula: see text

Analysing and Rationalising Molecular and Materials Databases Using Machine-Learning

NASA Astrophysics Data System (ADS)

de, Sandip; Ceriotti, Michele

Computational materials design promises to greatly accelerate the process of discovering new or more performant materials. Several collaborative efforts are contributing to this goal by building databases of structures, containing between thousands and millions of distinct hypothetical compounds, whose properties are computed by high-throughput electronic-structure calculations. The complexity and sheer amount of information has made manual exploration, interpretation and maintenance of these databases a formidable challenge, making it necessary to resort to automatic analysis tools. Here we will demonstrate how, starting from a measure of (dis)similarity between database items built from a combination of local environment descriptors, it is possible to apply hierarchical clustering algorithms, as well as dimensionality reduction methods such as sketchmap, to analyse, classify and interpret trends in molecular and materials databases, as well as to detect inconsistencies and errors. Thanks to the agnostic and flexible nature of the underlying metric, we will show how our framework can be applied transparently to different kinds of systems ranging from organic molecules and oligopeptides to inorganic crystal structures as well as molecular crystals. Funded by National Center for Computational Design and Discovery of Novel Materials (MARVEL) and Swiss National Science Foundation.

The Next Era: Deep Learning in Pharmaceutical Research.

PubMed

Ekins, Sean

2016-11-01

Over the past decade we have witnessed the increasing sophistication of machine learning algorithms applied in daily use from internet searches, voice recognition, social network software to machine vision software in cameras, phones, robots and self-driving cars. Pharmaceutical research has also seen its fair share of machine learning developments. For example, applying such methods to mine the growing datasets that are created in drug discovery not only enables us to learn from the past but to predict a molecule's properties and behavior in future. The latest machine learning algorithm garnering significant attention is deep learning, which is an artificial neural network with multiple hidden layers. Publications over the last 3 years suggest that this algorithm may have advantages over previous machine learning methods and offer a slight but discernable edge in predictive performance. The time has come for a balanced review of this technique but also to apply machine learning methods such as deep learning across a wider array of endpoints relevant to pharmaceutical research for which the datasets are growing such as physicochemical property prediction, formulation prediction, absorption, distribution, metabolism, excretion and toxicity (ADME/Tox), target prediction and skin permeation, etc. We also show that there are many potential applications of deep learning beyond cheminformatics. It will be important to perform prospective testing (which has been carried out rarely to date) in order to convince skeptics that there will be benefits from investing in this technique.

Negative Example Selection for Protein Function Prediction: The NoGO Database

PubMed Central

Youngs, Noah; Penfold-Brown, Duncan; Bonneau, Richard; Shasha, Dennis

2014-01-01

Negative examples – genes that are known not to carry out a given protein function – are rarely recorded in genome and proteome annotation databases, such as the Gene Ontology database. Negative examples are required, however, for several of the most powerful machine learning methods for integrative protein function prediction. Most protein function prediction efforts have relied on a variety of heuristics for the choice of negative examples. Determining the accuracy of methods for negative example prediction is itself a non-trivial task, given that the Open World Assumption as applied to gene annotations rules out many traditional validation metrics. We present a rigorous comparison of these heuristics, utilizing a temporal holdout, and a novel evaluation strategy for negative examples. We add to this comparison several algorithms adapted from Positive-Unlabeled learning scenarios in text-classification, which are the current state of the art methods for generating negative examples in low-density annotation contexts. Lastly, we present two novel algorithms of our own construction, one based on empirical conditional probability, and the other using topic modeling applied to genes and annotations. We demonstrate that our algorithms achieve significantly fewer incorrect negative example predictions than the current state of the art, using multiple benchmarks covering multiple organisms. Our methods may be applied to generate negative examples for any type of method that deals with protein function, and to this end we provide a database of negative examples in several well-studied organisms, for general use (The NoGO database, available at: bonneaulab.bio.nyu.edu/nogo.html). PMID:24922051

Applications of Machine Learning in Cancer Prediction and Prognosis

PubMed Central

Cruz, Joseph A.; Wishart, David S.

2006-01-01

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

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

PubMed

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. ©Wei Luo, Dinh Phung, Truyen Tran, Sunil Gupta, Santu Rana, Chandan Karmakar, Alistair Shilton, John Yearwood, Nevenka Dimitrova, Tu Bao Ho, Svetha Venkatesh, Michael Berk. Originally published in the Journal of Medical Internet Research (http://www.jmir.org), 16.12.2016.

A nearest neighbor approach for automated transporter prediction and categorization from protein sequences.

PubMed

Li, Haiquan; Dai, Xinbin; Zhao, Xuechun

2008-05-01

Membrane transport proteins play a crucial role in the import and export of ions, small molecules or macromolecules across biological membranes. Currently, there are a limited number of published computational tools which enable the systematic discovery and categorization of transporters prior to costly experimental validation. To approach this problem, we utilized a nearest neighbor method which seamlessly integrates homologous search and topological analysis into a machine-learning framework. Our approach satisfactorily distinguished 484 transporter families in the Transporter Classification Database, a curated and representative database for transporters. A five-fold cross-validation on the database achieved a positive classification rate of 72.3% on average. Furthermore, this method successfully detected transporters in seven model and four non-model organisms, ranging from archaean to mammalian species. A preliminary literature-based validation has cross-validated 65.8% of our predictions on the 11 organisms, including 55.9% of our predictions overlapping with 83.6% of the predicted transporters in TransportDB.

Development of E-Learning Materials for Machining Safety Education

NASA Astrophysics Data System (ADS)

Nakazawa, Tsuyoshi; Mita, Sumiyoshi; Matsubara, Masaaki; Takashima, Takeo; Tanaka, Koichi; Izawa, Satoru; Kawamura, Takashi

We developed two e-learning materials for Manufacturing Practice safety education: movie learning materials and hazard-detection learning materials. Using these video and sound media, students can learn how to operate machines safely with movie learning materials, which raise the effectiveness of preparation and review for manufacturing practice. Using these materials, students can realize safety operation well. Students can apply knowledge learned in lectures to the detection of hazards and use study methods for hazard detection during machine operation using the hazard-detection learning materials. Particularly, the hazard-detection learning materials raise students‧ safety consciousness and increase students‧ comprehension of knowledge from lectures and comprehension of operations during Manufacturing Practice.

An introduction to quantum machine learning

NASA Astrophysics Data System (ADS)

Schuld, Maria; Sinayskiy, Ilya; Petruccione, Francesco

2015-04-01

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

Large-Scale Machine Learning for Classification and Search

ERIC Educational Resources Information Center

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…

Newton Methods for Large Scale Problems in Machine Learning

ERIC Educational Resources Information Center

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…

Applying Machine Learning to Facilitate Autism Diagnostics: Pitfalls and Promises

ERIC Educational Resources Information Center

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…

An active role for machine learning in drug development

PubMed Central

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

Laboratory parameter-based machine learning model for excluding non-alcoholic fatty liver disease (NAFLD) in the general population.

PubMed

Yip, T C-F; Ma, A J; Wong, V W-S; Tse, Y-K; Chan, H L-Y; Yuen, P-C; Wong, G L-H

2017-08-01

Non-alcoholic fatty liver disease (NAFLD) affects 20%-40% of the general population in developed countries and is an increasingly important cause of hepatocellular carcinoma. Electronic medical records facilitate large-scale epidemiological studies, existing NAFLD scores often require clinical and anthropometric parameters that may not be captured in those databases. To develop and validate a laboratory parameter-based machine learning model to detect NAFLD for the general population. We randomly divided 922 subjects from a population screening study into training and validation groups; NAFLD was diagnosed by proton-magnetic resonance spectroscopy. On the basis of machine learning from 23 routine clinical and laboratory parameters after elastic net regulation, we evaluated the logistic regression, ridge regression, AdaBoost and decision tree models. The areas under receiver-operating characteristic curve (AUROC) of models in validation group were compared. Six predictors including alanine aminotransferase, high-density lipoprotein cholesterol, triglyceride, haemoglobin A 1c , white blood cell count and the presence of hypertension were selected. The NAFLD ridge score achieved AUROC of 0.87 (95% CI 0.83-0.90) and 0.88 (0.84-0.91) in the training and validation groups respectively. Using dual cut-offs of 0.24 and 0.44, NAFLD ridge score achieved 92% (86%-96%) sensitivity and 90% (86%-93%) specificity with corresponding negative and positive predictive values of 96% (91%-98%) and 69% (59%-78%), and 87% of overall accuracy among 70% of classifiable subjects in the validation group; 30% of subjects remained indeterminate. NAFLD ridge score is a simple and robust reference comparable to existing NAFLD scores to exclude NAFLD patients in epidemiological studies. © 2017 John Wiley & Sons Ltd.

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

PubMed

Lowe, Daniel M; Sayle, Roger A

2015-01-01

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

LeadMine: a grammar and dictionary driven approach to entity recognition

PubMed Central

2015-01-01

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

Prediction and Validation of Disease Genes Using HeteSim Scores.

PubMed

Zeng, Xiangxiang; Liao, Yuanlu; Liu, Yuansheng; Zou, Quan

2017-01-01

Deciphering the gene disease association is an important goal in biomedical research. In this paper, we use a novel relevance measure, called HeteSim, to prioritize candidate disease genes. Two methods based on heterogeneous networks constructed using protein-protein interaction, gene-phenotype associations, and phenotype-phenotype similarity, are presented. In HeteSim_MultiPath (HSMP), HeteSim scores of different paths are combined with a constant that dampens the contributions of longer paths. In HeteSim_SVM (HSSVM), HeteSim scores are combined with a machine learning method. The 3-fold experiments show that our non-machine learning method HSMP performs better than the existing non-machine learning methods, our machine learning method HSSVM obtains similar accuracy with the best existing machine learning method CATAPULT. From the analysis of the top 10 predicted genes for different diseases, we found that HSSVM avoid the disadvantage of the existing machine learning based methods, which always predict similar genes for different diseases. The data sets and Matlab code for the two methods are freely available for download at http://lab.malab.cn/data/HeteSim/index.jsp.

Relative Performance of Hardwood Sawing Machines

Treesearch

Philip H. Steele; Michael W. Wade; Steven H. Bullard; Philip A. Araman

1991-01-01

Only limited information has been available to hardwood sawmillers on the performance of their sawing machines. This study analyzes a large database of individual machine studies to provide detailed information on 6 machine types. These machine types were band headrig, circular headrig, band linebar resaw, vertical band splitter resaw, single arbor gang resaw and...

Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

PubMed

Ma, Xiao H; Jia, Jia; Zhu, Feng; Xue, Ying; Li, Ze R; Chen, Yu Z

2009-05-01

Machine learning methods have been explored as ligand-based virtual screening tools for facilitating drug lead discovery. These methods predict compounds of specific pharmacodynamic, pharmacokinetic or toxicological properties based on their structure-derived structural and physicochemical properties. Increasing attention has been directed at these methods because of their capability in predicting compounds of diverse structures and complex structure-activity relationships without requiring the knowledge of target 3D structure. This article reviews current progresses in using machine learning methods for virtual screening of pharmacodynamically active compounds from large compound libraries, and analyzes and compares the reported performances of machine learning tools with those of structure-based and other ligand-based (such as pharmacophore and clustering) virtual screening methods. The feasibility to improve the performance of machine learning methods in screening large libraries is discussed.

In vitro molecular machine learning algorithm via symmetric internal loops of DNA.

PubMed

Lee, Ji-Hoon; Lee, Seung Hwan; Baek, Christina; Chun, Hyosun; Ryu, Je-Hwan; Kim, Jin-Woo; Deaton, Russell; Zhang, Byoung-Tak

2017-08-01

Programmable biomolecules, such as DNA strands, deoxyribozymes, and restriction enzymes, have been used to solve computational problems, construct large-scale logic circuits, and program simple molecular games. Although studies have shown the potential of molecular computing, the capability of computational learning with DNA molecules, i.e., molecular machine learning, has yet to be experimentally verified. Here, we present a novel molecular learning in vitro model in which symmetric internal loops of double-stranded DNA are exploited to measure the differences between training instances, thus enabling the molecules to learn from small errors. The model was evaluated on a data set of twenty dialogue sentences obtained from the television shows Friends and Prison Break. The wet DNA-computing experiments confirmed that the molecular learning machine was able to generalize the dialogue patterns of each show and successfully identify the show from which the sentences originated. The molecular machine learning model described here opens the way for solving machine learning problems in computer science and biology using in vitro molecular computing with the data encoded in DNA molecules. Copyright © 2017. Published by Elsevier B.V.

Identification of approximately duplicate material records in ERP systems

NASA Astrophysics Data System (ADS)

Zong, Wei; Wu, Feng; Chu, Lap-Keung; Sculli, Domenic

2017-03-01

The quality of master data is crucial for the accurate functioning of the various modules of an enterprise resource planning (ERP) system. This study addresses specific data problems arising from the generation of approximately duplicate material records in ERP databases. Such problems are mainly due to the firm's lack of unique and global identifiers for the material records, and to the arbitrary assignment of alternative names for the same material by various users. Traditional duplicate detection methods are ineffective in identifying such approximately duplicate material records because these methods typically rely on string comparisons of each field. To address this problem, a machine learning-based framework is developed to recognise semantic similarity between strings and to further identify and reunify approximately duplicate material records - a process referred to as de-duplication in this article. First, the keywords of the material records are extracted to form vectors of discriminating words. Second, a machine learning method using a probabilistic neural network is applied to determine the semantic similarity between these material records. The approach was evaluated using data from a real case study. The test results indicate that the proposed method outperforms traditional algorithms in identifying approximately duplicate material records.

Protein Sequence Classification with Improved Extreme Learning Machine Algorithms

PubMed Central

2014-01-01

Precisely classifying a protein sequence from a large biological protein sequences database plays an important role for developing competitive pharmacological products. Comparing the unseen sequence with all the identified protein sequences and returning the category index with the highest similarity scored protein, conventional methods are usually time-consuming. Therefore, it is urgent and necessary to build an efficient protein sequence classification system. In this paper, we study the performance of protein sequence classification using SLFNs. The recent efficient extreme learning machine (ELM) and its invariants are utilized as the training algorithms. The optimal pruned ELM is first employed for protein sequence classification in this paper. To further enhance the performance, the ensemble based SLFNs structure is constructed where multiple SLFNs with the same number of hidden nodes and the same activation function are used as ensembles. For each ensemble, the same training algorithm is adopted. The final category index is derived using the majority voting method. Two approaches, namely, the basic ELM and the OP-ELM, are adopted for the ensemble based SLFNs. The performance is analyzed and compared with several existing methods using datasets obtained from the Protein Information Resource center. The experimental results show the priority of the proposed algorithms. PMID:24795876

Software platform for managing the classification of error- related potentials of observers

NASA Astrophysics Data System (ADS)

Asvestas, P.; Ventouras, E.-C.; Kostopoulos, S.; Sidiropoulos, K.; Korfiatis, V.; Korda, A.; Uzunolglu, A.; Karanasiou, I.; Kalatzis, I.; Matsopoulos, G.

2015-09-01

Human learning is partly based on observation. Electroencephalographic recordings of subjects who perform acts (actors) or observe actors (observers), contain a negative waveform in the Evoked Potentials (EPs) of the actors that commit errors and of observers who observe the error-committing actors. This waveform is called the Error-Related Negativity (ERN). Its detection has applications in the context of Brain-Computer Interfaces. The present work describes a software system developed for managing EPs of observers, with the aim of classifying them into observations of either correct or incorrect actions. It consists of an integrated platform for the storage, management, processing and classification of EPs recorded during error-observation experiments. The system was developed using C# and the following development tools and frameworks: MySQL, .NET Framework, Entity Framework and Emgu CV, for interfacing with the machine learning library of OpenCV. Up to six features can be computed per EP recording per electrode. The user can select among various feature selection algorithms and then proceed to train one of three types of classifiers: Artificial Neural Networks, Support Vector Machines, k-nearest neighbour. Next the classifier can be used for classifying any EP curve that has been inputted to the database.

Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling.

PubMed

Pham-The, Hai; Casañola-Martin, Gerardo; Garrigues, Teresa; Bermejo, Marival; González-Álvarez, Isabel; Nguyen-Hai, Nam; Cabrera-Pérez, Miguel Ángel; Le-Thi-Thu, Huong

2016-02-01

In many absorption, distribution, metabolism, and excretion (ADME) modeling problems, imbalanced data could negatively affect classification performance of machine learning algorithms. Solutions for handling imbalanced dataset have been proposed, but their application for ADME modeling tasks is underexplored. In this paper, various strategies including cost-sensitive learning and resampling methods were studied to tackle the moderate imbalance problem of a large Caco-2 cell permeability database. Simple physicochemical molecular descriptors were utilized for data modeling. Support vector machine classifiers were constructed and compared using multiple comparison tests. Results showed that the models developed on the basis of resampling strategies displayed better performance than the cost-sensitive classification models, especially in the case of oversampling data where misclassification rates for minority class have values of 0.11 and 0.14 for training and test set, respectively. A consensus model with enhanced applicability domain was subsequently constructed and showed improved performance. This model was used to predict a set of randomly selected high-permeability reference drugs according to the biopharmaceutics classification system. Overall, this study provides a comparison of numerous rebalancing strategies and displays the effectiveness of oversampling methods to deal with imbalanced permeability data problems.

Evolution patterns and parameter regimes in edge localized modes on the National Spherical Torus Experiment

DOE Data Explorer

Smith, D. R. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Bell, R. E. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Podesta, M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Smith, D. R. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Fonck, R. J. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); McKee, G. R. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Diallo, A. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Kaye, S. M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); LeBlanc, B. P. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Sabbagh, S. A. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

2015-09-01

We implement unsupervised machine learning techniques to identify characteristic evolution patterns and associated parameter regimes in edge localized mode (ELM) events observed on the National Spherical Torus Experiment. Multi-channel, localized measurements spanning the pedestal region capture the complex evolution patterns of ELM events on Alfven timescales. Some ELM events are active for less than 100~microsec, but others persist for up to 1~ms. Also, some ELM events exhibit a single dominant perturbation, but others are oscillatory. Clustering calculations with time-series similarity metrics indicate the ELM database contains at least two and possibly three groups of ELMs with similar evolution patterns. The identified ELM groups trigger similar stored energy loss, but the groups occupy distinct parameter regimes for ELM-relevant quantities like plasma current, triangularity, and pedestal height. Notably, the pedestal electron pressure gradient is not an effective parameter for distinguishing the ELM groups, but the ELM groups segregate in terms of electron density gradient and electron temperature gradient. The ELM evolution patterns and corresponding parameter regimes can shape the formulation or validation of nonlinear ELM models. Finally, the techniques and results demonstrate an application of unsupervised machine learning at a data-rich fusion facility.

Regularised extreme learning machine with misclassification cost and rejection cost for gene expression data classification.

PubMed

Lu, Huijuan; Wei, Shasha; Zhou, Zili; Miao, Yanzi; Lu, Yi

2015-01-01

The main purpose of traditional classification algorithms on bioinformatics application is to acquire better classification accuracy. However, these algorithms cannot meet the requirement that minimises the average misclassification cost. In this paper, a new algorithm of cost-sensitive regularised extreme learning machine (CS-RELM) was proposed by using probability estimation and misclassification cost to reconstruct the classification results. By improving the classification accuracy of a group of small sample which higher misclassification cost, the new CS-RELM can minimise the classification cost. The 'rejection cost' was integrated into CS-RELM algorithm to further reduce the average misclassification cost. By using Colon Tumour dataset and SRBCT (Small Round Blue Cells Tumour) dataset, CS-RELM was compared with other cost-sensitive algorithms such as extreme learning machine (ELM), cost-sensitive extreme learning machine, regularised extreme learning machine, cost-sensitive support vector machine (SVM). The results of experiments show that CS-RELM with embedded rejection cost could reduce the average cost of misclassification and made more credible classification decision than others.

ClearTK 2.0: Design Patterns for Machine Learning in UIMA

PubMed Central

Bethard, Steven; Ogren, Philip; Becker, Lee

2014-01-01

ClearTK adds machine learning functionality to the UIMA framework, providing wrappers to popular machine learning libraries, a rich feature extraction library that works across different classifiers, and utilities for applying and evaluating machine learning models. Since its inception in 2008, ClearTK has evolved in response to feedback from developers and the community. This evolution has followed a number of important design principles including: conceptually simple annotator interfaces, readable pipeline descriptions, minimal collection readers, type system agnostic code, modules organized for ease of import, and assisting user comprehension of the complex UIMA framework. PMID:29104966

ClearTK 2.0: Design Patterns for Machine Learning in UIMA.

PubMed

Bethard, Steven; Ogren, Philip; Becker, Lee

2014-05-01

ClearTK adds machine learning functionality to the UIMA framework, providing wrappers to popular machine learning libraries, a rich feature extraction library that works across different classifiers, and utilities for applying and evaluating machine learning models. Since its inception in 2008, ClearTK has evolved in response to feedback from developers and the community. This evolution has followed a number of important design principles including: conceptually simple annotator interfaces, readable pipeline descriptions, minimal collection readers, type system agnostic code, modules organized for ease of import, and assisting user comprehension of the complex UIMA framework.

Studying depression using imaging and machine learning methods.

PubMed

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.

Machine-Learning Approach for Design of Nanomagnetic-Based Antennas

NASA Astrophysics Data System (ADS)

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.

Machine Learning

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

Chikkagoudar, Satish; Chatterjee, Samrat; Thomas, Dennis G.

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 Networksmore » and Hidden Markov Models are introduced as an example of a widely used data driven classification/modeling strategy.« less

Model-based machine learning.

PubMed

Bishop, Christopher M

2013-02-13

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

Acceleration of saddle-point searches with machine learning.

PubMed

Peterson, Andrew A

2016-08-21

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

Model-based machine learning

PubMed Central

Bishop, Christopher M.

2013-01-01

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

Acceleration of saddle-point searches with machine learning

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

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

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

Unsupervised heart-rate estimation in wearables with Liquid states and a probabilistic readout.

PubMed

Das, Anup; Pradhapan, Paruthi; Groenendaal, Willemijn; Adiraju, Prathyusha; Rajan, Raj Thilak; Catthoor, Francky; Schaafsma, Siebren; Krichmar, Jeffrey L; Dutt, Nikil; Van Hoof, Chris

2018-03-01

Heart-rate estimation is a fundamental feature of modern wearable devices. In this paper we propose a machine learning technique to estimate heart-rate from electrocardiogram (ECG) data collected using wearable devices. The novelty of our approach lies in (1) encoding spatio-temporal properties of ECG signals directly into spike train and using this to excite recurrently connected spiking neurons in a Liquid State Machine computation model; (2) a novel learning algorithm; and (3) an intelligently designed unsupervised readout based on Fuzzy c-Means clustering of spike responses from a subset of neurons (Liquid states), selected using particle swarm optimization. Our approach differs from existing works by learning directly from ECG signals (allowing personalization), without requiring costly data annotations. Additionally, our approach can be easily implemented on state-of-the-art spiking-based neuromorphic systems, offering high accuracy, yet significantly low energy footprint, leading to an extended battery-life of wearable devices. We validated our approach with CARLsim, a GPU accelerated spiking neural network simulator modeling Izhikevich spiking neurons with Spike Timing Dependent Plasticity (STDP) and homeostatic scaling. A range of subjects is considered from in-house clinical trials and public ECG databases. Results show high accuracy and low energy footprint in heart-rate estimation across subjects with and without cardiac irregularities, signifying the strong potential of this approach to be integrated in future wearable devices. Copyright © 2018 Elsevier Ltd. All rights reserved.

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

PubMed

Newton, Richard; Wernisch, Lorenz

2017-08-11

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

Intermediate Palomar Transient Factory: Realtime Image Subtraction Pipeline

DOE PAGES

Cao, Yi; Nugent, Peter E.; Kasliwal, Mansi M.

2016-09-28

A fast-turnaround pipeline for realtime data reduction plays an essential role in discovering and permitting followup observations to young supernovae and fast-evolving transients in modern time-domain surveys. In this paper, we present the realtime image subtraction pipeline in the intermediate Palomar Transient Factory. By using highperformance computing, efficient databases, and machine-learning algorithms, this pipeline manages to reliably deliver transient candidates within 10 minutes of images being taken. Our experience in using high-performance computing resources to process big data in astronomy serves as a trailblazer to dealing with data from large-scale time-domain facilities in the near future.

Intermediate Palomar Transient Factory: Realtime Image Subtraction Pipeline

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

Cao, Yi; Nugent, Peter E.; Kasliwal, Mansi M.

A fast-turnaround pipeline for realtime data reduction plays an essential role in discovering and permitting followup observations to young supernovae and fast-evolving transients in modern time-domain surveys. In this paper, we present the realtime image subtraction pipeline in the intermediate Palomar Transient Factory. By using highperformance computing, efficient databases, and machine-learning algorithms, this pipeline manages to reliably deliver transient candidates within 10 minutes of images being taken. Our experience in using high-performance computing resources to process big data in astronomy serves as a trailblazer to dealing with data from large-scale time-domain facilities in the near future.

feets: feATURE eXTRACTOR for tIME sERIES

NASA Astrophysics Data System (ADS)

Cabral, Juan; Sanchez, Bruno; Ramos, Felipe; Gurovich, Sebastián; Granitto, Pablo; VanderPlas, Jake

2018-06-01

feets characterizes and analyzes light-curves from astronomical photometric databases for modelling, classification, data cleaning, outlier detection and data analysis. It uses machine learning algorithms to determine the numerical descriptors that characterize and distinguish the different variability classes of light-curves; these range from basic statistical measures such as the mean or standard deviation to complex time-series characteristics such as the autocorrelation function. The library is not restricted to the astronomical field and could also be applied to any kind of time series. This project is a derivative work of FATS (ascl:1711.017).

Integrated driver modelling considering state transition feature for individual adaptation of driver assistance systems

NASA Astrophysics Data System (ADS)

Raksincharoensak, Pongsathorn; Khaisongkram, Wathanyoo; Nagai, Masao; Shimosaka, Masamichi; Mori, Taketoshi; Sato, Tomomasa

2010-12-01

This paper describes the modelling of naturalistic driving behaviour in real-world traffic scenarios, based on driving data collected via an experimental automobile equipped with a continuous sensing drive recorder. This paper focuses on the longitudinal driving situations which are classified into five categories - car following, braking, free following, decelerating and stopping - and are referred to as driving states. Here, the model is assumed to be represented by a state flow diagram. Statistical machine learning of driver-vehicle-environment system model based on driving database is conducted by a discriminative modelling approach called boosting sequential labelling method.

Advancing Consumer Product Composition and Chemical ...

EPA Pesticide Factsheets

This presentation describes EPA efforts to collect, model, and measure publically available consumer product data for use in exposure assessment. The development of the ORD Chemicals and Products database will be described, as will machine-learning based models for predicting chemical function. Finally, the talk describes new mass spectrometry-based methods for measuring chemicals in formulation and articles. This presentation is an invited talk to the ICCA-LRI workshop "Fit-For-Purpose Exposure Assessments For Risk-Based Decision Making". The talk will share EPA efforts to characterize the components of consumer products for use in exposure assessment with the international exposure science community.

e-IQ and IQ knowledge mining for generalized LDA

NASA Astrophysics Data System (ADS)

Jenkins, Jeffrey; van Bergem, Rutger; Sweet, Charles; Vietsch, Eveline; Szu, Harold

2015-05-01

How can the human brain uncover patterns, associations and features in real-time, real-world data? There must be a general strategy used to transform raw signals into useful features, but representing this generalization in the context of our information extraction tool set is lacking. In contrast to Big Data (BD), Large Data Analysis (LDA) has become a reachable multi-disciplinary goal in recent years due in part to high performance computers and algorithm development, as well as the availability of large data sets. However, the experience of Machine Learning (ML) and information communities has not been generalized into an intuitive framework that is useful to researchers across disciplines. The data exploration phase of data mining is a prime example of this unspoken, ad-hoc nature of ML - the Computer Scientist works with a Subject Matter Expert (SME) to understand the data, and then build tools (i.e. classifiers, etc.) which can benefit the SME and the rest of the researchers in that field. We ask, why is there not a tool to represent information in a meaningful way to the researcher asking the question? Meaning is subjective and contextual across disciplines, so to ensure robustness, we draw examples from several disciplines and propose a generalized LDA framework for independent data understanding of heterogeneous sources which contribute to Knowledge Discovery in Databases (KDD). Then, we explore the concept of adaptive Information resolution through a 6W unsupervised learning methodology feedback system. In this paper, we will describe the general process of man-machine interaction in terms of an asymmetric directed graph theory (digging for embedded knowledge), and model the inverse machine-man feedback (digging for tacit knowledge) as an ANN unsupervised learning methodology. Finally, we propose a collective learning framework which utilizes a 6W semantic topology to organize heterogeneous knowledge and diffuse information to entities within a society in a personalized way.

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

ERIC Educational Resources Information Center

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…

Learning as a Machine: Crossovers between Humans and Machines

ERIC Educational Resources Information Center

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…

Computer Programmed Milling Machine Operations. High-Technology Training Module.

ERIC Educational Resources Information Center

Leonard, Dennis

This learning module for a high school metals and manufacturing course is designed to introduce the concept of computer-assisted machining (CAM). Through it, students learn how to set up and put data into the controller to machine a part. They also become familiar with computer-aided manufacturing and learn the advantages of computer numerical…

2014 Bio-Acoustics Data Challenge for the International Community on Machine Learning and Bioacoustics

DTIC Science & Technology

2014-09-30

This ONR grant promotes the development and application of advanced machine learning techniques for detection and classification of marine mammal...sounds. The objective is to engage a broad community of data scientists in the development and application of advanced machine learning techniques for detection and classification of marine mammal sounds.

Prediction and early detection of delirium in the intensive care unit by using heart rate variability and machine learning.

PubMed

Oh, Jooyoung; Cho, Dongrae; Park, Jaesub; Na, Se Hee; Kim, Jongin; Heo, Jaeseok; Shin, Cheung Soo; Kim, Jae-Jin; Park, Jin Young; Lee, Boreom

2018-03-27

Delirium is an important syndrome found in patients in the intensive care unit (ICU), however, it is usually under-recognized during treatment. This study was performed to investigate whether delirious patients can be successfully distinguished from non-delirious patients by using heart rate variability (HRV) and machine learning. Electrocardiography data of 140 patients was acquired during daily ICU care, and HRV data were analyzed. Delirium, including its type, severity, and etiologies, was evaluated daily by trained psychiatrists. HRV data and various machine learning algorithms including linear support vector machine (SVM), SVM with radial basis function (RBF) kernels, linear extreme learning machine (ELM), ELM with RBF kernels, linear discriminant analysis, and quadratic discriminant analysis were utilized to distinguish delirium patients from non-delirium patients. HRV data of 4797 ECGs were included, and 39 patients had delirium at least once during their ICU stay. The maximum classification accuracy was acquired using SVM with RBF kernels. Our prediction method based on HRV with machine learning was comparable to previous delirium prediction models using massive amounts of clinical information. Our results show that autonomic alterations could be a significant feature of patients with delirium in the ICU, suggesting the potential for the automatic prediction and early detection of delirium based on HRV with machine learning.

Prediction of antiepileptic drug treatment outcomes using machine learning.

PubMed

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

2017-02-01

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

Prediction of antiepileptic drug treatment outcomes using machine learning

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

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

PubMed Central

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

2017-01-01

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

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

PubMed

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

2015-08-01

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

Using machine learning for sequence-level automated MRI protocol selection in neuroradiology.

PubMed

Brown, Andrew D; Marotta, Thomas R

2018-05-01

Incorrect imaging protocol selection can lead to important clinical findings being missed, contributing to both wasted health care resources and patient harm. We present a machine learning method for analyzing the unstructured text of clinical indications and patient demographics from magnetic resonance imaging (MRI) orders to automatically protocol MRI procedures at the sequence level. We compared 3 machine learning models - support vector machine, gradient boosting machine, and random forest - to a baseline model that predicted the most common protocol for all observations in our test set. The gradient boosting machine model significantly outperformed the baseline and demonstrated the best performance of the 3 models in terms of accuracy (95%), precision (86%), recall (80%), and Hamming loss (0.0487). This demonstrates the feasibility of automating sequence selection by applying machine learning to MRI orders. Automated sequence selection has important safety, quality, and financial implications and may facilitate improvements in the quality and safety of medical imaging service delivery.

Machine learning molecular dynamics for the simulation of infrared spectra.

PubMed

Gastegger, Michael; Behler, Jörg; Marquetand, Philipp

2017-10-01

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

The Next Era: Deep Learning in Pharmaceutical Research

PubMed Central

Ekins, Sean

2016-01-01

Over the past decade we have witnessed the increasing sophistication of machine learning algorithms applied in daily use from internet searches, voice recognition, social network software to machine vision software in cameras, phones, robots and self-driving cars. Pharmaceutical research has also seen its fair share of machine learning developments. For example, applying such methods to mine the growing datasets that are created in drug discovery not only enables us to learn from the past but to predict a molecule’s properties and behavior in future. The latest machine learning algorithm garnering significant attention is deep learning, which is an artificial neural network with multiple hidden layers. Publications over the last 3 years suggest that this algorithm may have advantages over previous machine learning methods and offer a slight but discernable edge in predictive performance. The time has come for a balanced review of this technique but also to apply machine learning methods such as deep learning across a wider array of endpoints relevant to pharmaceutical research for which the datasets are growing such as physicochemical property prediction, formulation prediction, absorption, distribution, metabolism, excretion and toxicity (ADME/Tox), target prediction and skin permeation, etc. We also show that there are many potential applications of deep learning beyond cheminformatics. It will be important to perform prospective testing (which has been carried out rarely to date) in order to convince skeptics that there will be benefits from investing in this technique. PMID:27599991

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

NASA Astrophysics Data System (ADS)

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.

Optimizing Support Vector Machine Parameters with Genetic Algorithm for Credit Risk Assessment

NASA Astrophysics Data System (ADS)

Manurung, Jonson; Mawengkang, Herman; Zamzami, Elviawaty

2017-12-01

Support vector machine (SVM) is a popular classification method known to have strong generalization capabilities. SVM can solve the problem of classification and linear regression or nonlinear kernel which can be a learning algorithm for the ability of classification and regression. However, SVM also has a weakness that is difficult to determine the optimal parameter value. SVM calculates the best linear separator on the input feature space according to the training data. To classify data which are non-linearly separable, SVM uses kernel tricks to transform the data into a linearly separable data on a higher dimension feature space. The kernel trick using various kinds of kernel functions, such as : linear kernel, polynomial, radial base function (RBF) and sigmoid. Each function has parameters which affect the accuracy of SVM classification. To solve the problem genetic algorithms are proposed to be applied as the optimal parameter value search algorithm thus increasing the best classification accuracy on SVM. Data taken from UCI repository of machine learning database: Australian Credit Approval. The results show that the combination of SVM and genetic algorithms is effective in improving classification accuracy. Genetic algorithms has been shown to be effective in systematically finding optimal kernel parameters for SVM, instead of randomly selected kernel parameters. The best accuracy for data has been upgraded from kernel Linear: 85.12%, polynomial: 81.76%, RBF: 77.22% Sigmoid: 78.70%. However, for bigger data sizes, this method is not practical because it takes a lot of time.

Potential assessment of the "support vector machine" method in forecasting ambient air pollutant trends.

PubMed

Lu, Wei-Zhen; Wang, Wen-Jian

2005-04-01

Monitoring and forecasting of air quality parameters are popular and important topics of atmospheric and environmental research today due to the health impact caused by exposing to air pollutants existing in urban air. The accurate models for air pollutant prediction are needed because such models would allow forecasting and diagnosing potential compliance or non-compliance in both short- and long-term aspects. Artificial neural networks (ANN) are regarded as reliable and cost-effective method to achieve such tasks and have produced some promising results to date. Although ANN has addressed more attentions to environmental researchers, its inherent drawbacks, e.g., local minima, over-fitting training, poor generalization performance, determination of the appropriate network architecture, etc., impede the practical application of ANN. Support vector machine (SVM), a novel type of learning machine based on statistical learning theory, can be used for regression and time series prediction and have been reported to perform well by some promising results. The work presented in this paper aims to examine the feasibility of applying SVM to predict air pollutant levels in advancing time series based on the monitored air pollutant database in Hong Kong downtown area. At the same time, the functional characteristics of SVM are investigated in the study. The experimental comparisons between the SVM model and the classical radial basis function (RBF) network demonstrate that the SVM is superior to the conventional RBF network in predicting air quality parameters with different time series and of better generalization performance than the RBF model.

Component Pin Recognition Using Algorithms Based on Machine Learning

NASA Astrophysics Data System (ADS)

Xiao, Yang; Hu, Hong; Liu, Ze; Xu, Jiangchang

2018-04-01

The purpose of machine vision for a plug-in machine is to improve the machine’s stability and accuracy, and recognition of the component pin is an important part of the vision. This paper focuses on component pin recognition using three different techniques. The first technique involves traditional image processing using the core algorithm for binary large object (BLOB) analysis. The second technique uses the histogram of oriented gradients (HOG), to experimentally compare the effect of the support vector machine (SVM) and the adaptive boosting machine (AdaBoost) learning meta-algorithm classifiers. The third technique is the use of an in-depth learning method known as convolution neural network (CNN), which involves identifying the pin by comparing a sample to its training. The main purpose of the research presented in this paper is to increase the knowledge of learning methods used in the plug-in machine industry in order to achieve better results.

Experimental Machine Learning of Quantum States

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Machine learning modelling for predicting soil liquefaction susceptibility

NASA Astrophysics Data System (ADS)

Samui, P.; Sitharam, T. G.

2011-01-01

This study describes two machine learning techniques applied to predict liquefaction susceptibility of soil based on the standard penetration test (SPT) data from the 1999 Chi-Chi, Taiwan earthquake. The first machine learning technique which uses Artificial Neural Network (ANN) based on multi-layer perceptions (MLP) that are trained with Levenberg-Marquardt backpropagation algorithm. The second machine learning technique uses the Support Vector machine (SVM) that is firmly based on the theory of statistical learning theory, uses classification technique. ANN and SVM have been developed to predict liquefaction susceptibility using corrected SPT [(N1)60] and cyclic stress ratio (CSR). Further, an attempt has been made to simplify the models, requiring only the two parameters [(N1)60 and peck ground acceleration (amax/g)], for the prediction of liquefaction susceptibility. The developed ANN and SVM models have also been applied to different case histories available globally. The paper also highlights the capability of the SVM over the ANN models.

Correct machine learning on protein sequences: a peer-reviewing perspective.

PubMed

Walsh, Ian; Pollastri, Gianluca; Tosatto, Silvio C E

2016-09-01

Machine learning methods are becoming increasingly popular to predict protein features from sequences. Machine learning in bioinformatics can be powerful but carries also the risk of introducing unexpected biases, which may lead to an overestimation of the performance. This article espouses a set of guidelines to allow both peer reviewers and authors to avoid common machine learning pitfalls. Understanding biology is necessary to produce useful data sets, which have to be large and diverse. Separating the training and test process is imperative to avoid over-selling method performance, which is also dependent on several hidden parameters. A novel predictor has always to be compared with several existing methods, including simple baseline strategies. Using the presented guidelines will help nonspecialists to appreciate the critical issues in machine learning. © The Author 2015. Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

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

PubMed

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

2017-04-01

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

A Matter of Time: Faster Percolator Analysis via Efficient SVM Learning for Large-Scale Proteomics.

PubMed

Halloran, John T; Rocke, David M

2018-05-04

Percolator is an important tool for greatly improving the results of a database search and subsequent downstream analysis. Using support vector machines (SVMs), Percolator recalibrates peptide-spectrum matches based on the learned decision boundary between targets and decoys. To improve analysis time for large-scale data sets, we update Percolator's SVM learning engine through software and algorithmic optimizations rather than heuristic approaches that necessitate the careful study of their impact on learned parameters across different search settings and data sets. We show that by optimizing Percolator's original learning algorithm, l 2 -SVM-MFN, large-scale SVM learning requires nearly only a third of the original runtime. Furthermore, we show that by employing the widely used Trust Region Newton (TRON) algorithm instead of l 2 -SVM-MFN, large-scale Percolator SVM learning is reduced to nearly only a fifth of the original runtime. Importantly, these speedups only affect the speed at which Percolator converges to a global solution and do not alter recalibration performance. The upgraded versions of both l 2 -SVM-MFN and TRON are optimized within the Percolator codebase for multithreaded and single-thread use and are available under Apache license at bitbucket.org/jthalloran/percolator_upgrade .

Novel Breast Imaging and Machine Learning: Predicting Breast Lesion Malignancy at Cone-Beam CT Using Machine Learning Techniques.

PubMed

Uhlig, Johannes; Uhlig, Annemarie; Kunze, Meike; Beissbarth, Tim; Fischer, Uwe; Lotz, Joachim; Wienbeck, Susanne

2018-05-24

The purpose of this study is to evaluate the diagnostic performance of machine learning techniques for malignancy prediction at breast cone-beam CT (CBCT) and to compare them to human readers. Five machine learning techniques, including random forests, back propagation neural networks (BPN), extreme learning machines, support vector machines, and K-nearest neighbors, were used to train diagnostic models on a clinical breast CBCT dataset with internal validation by repeated 10-fold cross-validation. Two independent blinded human readers with profound experience in breast imaging and breast CBCT analyzed the same CBCT dataset. Diagnostic performance was compared using AUC, sensitivity, and specificity. The clinical dataset comprised 35 patients (American College of Radiology density type C and D breasts) with 81 suspicious breast lesions examined with contrast-enhanced breast CBCT. Forty-five lesions were histopathologically proven to be malignant. Among the machine learning techniques, BPNs provided the best diagnostic performance, with AUC of 0.91, sensitivity of 0.85, and specificity of 0.82. The diagnostic performance of the human readers was AUC of 0.84, sensitivity of 0.89, and specificity of 0.72 for reader 1 and AUC of 0.72, sensitivity of 0.71, and specificity of 0.67 for reader 2. AUC was significantly higher for BPN when compared with both reader 1 (p = 0.01) and reader 2 (p < 0.001). Machine learning techniques provide a high and robust diagnostic performance in the prediction of malignancy in breast lesions identified at CBCT. BPNs showed the best diagnostic performance, surpassing human readers in terms of AUC and specificity.

Machine learning of molecular properties: Locality and active learning

NASA Astrophysics Data System (ADS)

Gubaev, Konstantin; Podryabinkin, Evgeny V.; Shapeev, Alexander V.

2018-06-01

In recent years, the machine learning techniques have shown great potent1ial in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy comparable to that of density functional theory on another hand make machine learning algorithms efficient for high-throughput screening through chemical and configurational space. However, the machine learning algorithms available in the literature require large training datasets to reach the chemical accuracy and also show large errors for the so-called outliers—the out-of-sample molecules, not well-represented in the training set. In the present paper, we propose a new machine learning algorithm for predicting molecular properties that addresses these two issues: it is based on a local model of interatomic interactions providing high accuracy when trained on relatively small training sets and an active learning algorithm of optimally choosing the training set that significantly reduces the errors for the outliers. We compare our model to the other state-of-the-art algorithms from the literature on the widely used benchmark tests.

Algorithm for detection the QRS complexes based on support vector machine

NASA Astrophysics Data System (ADS)

Van, G. V.; Podmasteryev, K. V.

2017-11-01

The efficiency of computer ECG analysis depends on the accurate detection of QRS-complexes. This paper presents an algorithm for QRS complex detection based of support vector machine (SVM). The proposed algorithm is evaluated on annotated standard databases such as MIT-BIH Arrhythmia database. The QRS detector obtained a sensitivity Se = 98.32% and specificity Sp = 95.46% for MIT-BIH Arrhythmia database. This algorithm can be used as the basis for the software to diagnose electrical activity of the heart.

Machine-Learning Algorithms to Automate Morphological and Functional Assessments in 2D Echocardiography.

PubMed

Narula, Sukrit; Shameer, Khader; Salem Omar, Alaa Mabrouk; Dudley, Joel T; Sengupta, Partho P

2016-11-29

Machine-learning models may aid cardiac phenotypic recognition by using features of cardiac tissue deformation. This study investigated the diagnostic value of a machine-learning framework that incorporates speckle-tracking echocardiographic data for automated discrimination of hypertrophic cardiomyopathy (HCM) from physiological hypertrophy seen in athletes (ATH). Expert-annotated speckle-tracking echocardiographic datasets obtained from 77 ATH and 62 HCM patients were used for developing an automated system. An ensemble machine-learning model with 3 different machine-learning algorithms (support vector machines, random forests, and artificial neural networks) was developed and a majority voting method was used for conclusive predictions with further K-fold cross-validation. Feature selection using an information gain (IG) algorithm revealed that volume was the best predictor for differentiating between HCM ands. ATH (IG = 0.24) followed by mid-left ventricular segmental (IG = 0.134) and average longitudinal strain (IG = 0.131). The ensemble machine-learning model showed increased sensitivity and specificity compared with early-to-late diastolic transmitral velocity ratio (p < 0.01), average early diastolic tissue velocity (e') (p < 0.01), and strain (p = 0.04). Because ATH were younger, adjusted analysis was undertaken in younger HCM patients and compared with ATH with left ventricular wall thickness >13 mm. In this subgroup analysis, the automated model continued to show equal sensitivity, but increased specificity relative to early-to-late diastolic transmitral velocity ratio, e', and strain. Our results suggested that machine-learning algorithms can assist in the discrimination of physiological versus pathological patterns of hypertrophic remodeling. This effort represents a step toward the development of a real-time, machine-learning-based system for automated interpretation of echocardiographic images, which may help novice readers with limited experience. Copyright © 2016 American College of Cardiology Foundation. Published by Elsevier Inc. All rights reserved.

Machine learning: Trends, perspectives, and prospects.

PubMed

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. Copyright © 2015, American Association for the Advancement of Science.

Learning Activity Packets for Milling Machines. Unit II--Horizontal Milling Machines.

ERIC Educational Resources Information Center

Oklahoma State Board of Vocational and Technical Education, Stillwater. Curriculum and Instructional Materials Center.

This learning activity packet (LAP) outlines the study activities and performance tasks covered in a related curriculum guide on milling machines. The course of study in this LAP is intended to help students learn to set up and operate a horizontal mill. Tasks addressed in the LAP include mounting style "A" or "B" arbors and adjusting arbor…

Machine learning for science: state of the art and future prospects.

PubMed

Mjolsness, E; DeCoste, D

2001-09-14

Recent advances in machine learning methods, along with successful applications across a wide variety of fields such as planetary science and bioinformatics, promise powerful new tools for practicing scientists. This viewpoint highlights some useful characteristics of modern machine learning methods and their relevance to scientific applications. We conclude with some speculations on near-term progress and promising directions.

Advancing Research in Second Language Writing through Computational Tools and Machine Learning Techniques: A Research Agenda

ERIC Educational Resources Information Center

Crossley, Scott A.

2013-01-01

This paper provides an agenda for replication studies focusing on second language (L2) writing and the use of natural language processing (NLP) tools and machine learning algorithms. Specifically, it introduces a range of the available NLP tools and machine learning algorithms and demonstrates how these could be used to replicate seminal studies…

Machine Learning in the Presence of an Adversary: Attacking and Defending the SpamBayes Spam Filter

DTIC Science & Technology

2008-05-20

Machine learning techniques are often used for decision making in security critical applications such as intrusion detection and spam filtering...filter. The defenses shown in this thesis are able to work against the attacks developed against SpamBayes and are sufficiently generic to be easily extended into other statistical machine learning algorithms.

Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?

PubMed

Skoraczyński, G; Dittwald, P; Miasojedow, B; Szymkuć, S; Gajewska, E P; Grzybowski, B A; Gambin, A

2017-06-15

As machine learning/artificial intelligence algorithms are defeating chess masters and, most recently, GO champions, there is interest - and hope - that they will prove equally useful in assisting chemists in predicting outcomes of organic reactions. This paper demonstrates, however, that the applicability of machine learning to the problems of chemical reactivity over diverse types of chemistries remains limited - in particular, with the currently available chemical descriptors, fundamental mathematical theorems impose upper bounds on the accuracy with which raction yields and times can be predicted. Improving the performance of machine-learning methods calls for the development of fundamentally new chemical descriptors.

Ten quick tips for machine learning in computational biology.

PubMed

Chicco, Davide

2017-01-01

Machine learning has become a pivotal tool for many projects in computational biology, bioinformatics, and health informatics. Nevertheless, beginners and biomedical researchers often do not have enough experience to run a data mining project effectively, and therefore can follow incorrect practices, that may lead to common mistakes or over-optimistic results. With this review, we present ten quick tips to take advantage of machine learning in any computational biology context, by avoiding some common errors that we observed hundreds of times in multiple bioinformatics projects. We believe our ten suggestions can strongly help any machine learning practitioner to carry on a successful project in computational biology and related sciences.

Building a protein name dictionary from full text: a machine learning term extraction approach.

PubMed

Shi, Lei; Campagne, Fabien

2005-04-07

The majority of information in the biological literature resides in full text articles, instead of abstracts. Yet, abstracts remain the focus of many publicly available literature data mining tools. Most literature mining tools rely on pre-existing lexicons of biological names, often extracted from curated gene or protein databases. This is a limitation, because such databases have low coverage of the many name variants which are used to refer to biological entities in the literature. We present an approach to recognize named entities in full text. The approach collects high frequency terms in an article, and uses support vector machines (SVM) to identify biological entity names. It is also computationally efficient and robust to noise commonly found in full text material. We use the method to create a protein name dictionary from a set of 80,528 full text articles. Only 8.3% of the names in this dictionary match SwissProt description lines. We assess the quality of the dictionary by studying its protein name recognition performance in full text. This dictionary term lookup method compares favourably to other published methods, supporting the significance of our direct extraction approach. The method is strong in recognizing name variants not found in SwissProt.

Building a protein name dictionary from full text: a machine learning term extraction approach

PubMed Central

Shi, Lei; Campagne, Fabien

2005-01-01

Background The majority of information in the biological literature resides in full text articles, instead of abstracts. Yet, abstracts remain the focus of many publicly available literature data mining tools. Most literature mining tools rely on pre-existing lexicons of biological names, often extracted from curated gene or protein databases. This is a limitation, because such databases have low coverage of the many name variants which are used to refer to biological entities in the literature. Results We present an approach to recognize named entities in full text. The approach collects high frequency terms in an article, and uses support vector machines (SVM) to identify biological entity names. It is also computationally efficient and robust to noise commonly found in full text material. We use the method to create a protein name dictionary from a set of 80,528 full text articles. Only 8.3% of the names in this dictionary match SwissProt description lines. We assess the quality of the dictionary by studying its protein name recognition performance in full text. Conclusion This dictionary term lookup method compares favourably to other published methods, supporting the significance of our direct extraction approach. The method is strong in recognizing name variants not found in SwissProt. PMID:15817129

Multivariate analysis of fMRI time series: classification and regression of brain responses using machine learning.

PubMed

Formisano, Elia; De Martino, Federico; Valente, Giancarlo

2008-09-01

Machine learning and pattern recognition techniques are being increasingly employed in functional magnetic resonance imaging (fMRI) data analysis. By taking into account the full spatial pattern of brain activity measured simultaneously at many locations, these methods allow detecting subtle, non-strictly localized effects that may remain invisible to the conventional analysis with univariate statistical methods. In typical fMRI applications, pattern recognition algorithms "learn" a functional relationship between brain response patterns and a perceptual, cognitive or behavioral state of a subject expressed in terms of a label, which may assume discrete (classification) or continuous (regression) values. This learned functional relationship is then used to predict the unseen labels from a new data set ("brain reading"). In this article, we describe the mathematical foundations of machine learning applications in fMRI. We focus on two methods, support vector machines and relevance vector machines, which are respectively suited for the classification and regression of fMRI patterns. Furthermore, by means of several examples and applications, we illustrate and discuss the methodological challenges of using machine learning algorithms in the context of fMRI data analysis.

Game-powered machine learning

PubMed Central

Barrington, Luke; Turnbull, Douglas; Lanckriet, Gert

2012-01-01

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

Inverse Problems in Geodynamics Using Machine Learning Algorithms

NASA Astrophysics Data System (ADS)

Shahnas, M. H.; Yuen, D. A.; Pysklywec, R. N.

2018-01-01

During the past few decades numerical studies have been widely employed to explore the style of circulation and mixing in the mantle of Earth and other planets. However, in geodynamical studies there are many properties from mineral physics, geochemistry, and petrology in these numerical models. Machine learning, as a computational statistic-related technique and a subfield of artificial intelligence, has rapidly emerged recently in many fields of sciences and engineering. We focus here on the application of supervised machine learning (SML) algorithms in predictions of mantle flow processes. Specifically, we emphasize on estimating mantle properties by employing machine learning techniques in solving an inverse problem. Using snapshots of numerical convection models as training samples, we enable machine learning models to determine the magnitude of the spin transition-induced density anomalies that can cause flow stagnation at midmantle depths. Employing support vector machine algorithms, we show that SML techniques can successfully predict the magnitude of mantle density anomalies and can also be used in characterizing mantle flow patterns. The technique can be extended to more complex geodynamic problems in mantle dynamics by employing deep learning algorithms for putting constraints on properties such as viscosity, elastic parameters, and the nature of thermal and chemical anomalies.

Game-powered machine learning.

PubMed

Barrington, Luke; Turnbull, Douglas; Lanckriet, Gert

2012-04-24

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

Advances in Machine Learning and Data Mining for Astronomy

NASA Astrophysics Data System (ADS)

Way, Michael J.; Scargle, Jeffrey D.; Ali, Kamal M.; Srivastava, Ashok N.

2012-03-01

Advances in Machine Learning and Data Mining for Astronomy documents numerous successful collaborations among computer scientists, statisticians, and astronomers who illustrate the application of state-of-the-art machine learning and data mining techniques in astronomy. Due to the massive amount and complexity of data in most scientific disciplines, the material discussed in this text transcends traditional boundaries between various areas in the sciences and computer science. The book's introductory part provides context to issues in the astronomical sciences that are also important to health, social, and physical sciences, particularly probabilistic and statistical aspects of classification and cluster analysis. The next part describes a number of astrophysics case studies that leverage a range of machine learning and data mining technologies. In the last part, developers of algorithms and practitioners of machine learning and data mining show how these tools and techniques are used in astronomical applications. With contributions from leading astronomers and computer scientists, this book is a practical guide to many of the most important developments in machine learning, data mining, and statistics. It explores how these advances can solve current and future problems in astronomy and looks at how they could lead to the creation of entirely new algorithms within the data mining community.

Machine learning to predict the occurrence of bisphosphonate-related osteonecrosis of the jaw associated with dental extraction: A preliminary report.

PubMed

Kim, Dong Wook; Kim, Hwiyoung; Nam, Woong; Kim, Hyung Jun; Cha, In-Ho

2018-04-23

The aim of this study was to build and validate five types of machine learning models that can predict the occurrence of BRONJ associated with dental extraction in patients taking bisphosphonates for the management of osteoporosis. A retrospective review of the medical records was conducted to obtain cases and controls for the study. Total 125 patients consisting of 41 cases and 84 controls were selected for the study. Five machine learning prediction algorithms including multivariable logistic regression model, decision tree, support vector machine, artificial neural network, and random forest were implemented. The outputs of these models were compared with each other and also with conventional methods, such as serum CTX level. Area under the receiver operating characteristic (ROC) curve (AUC) was used to compare the results. The performance of machine learning models was significantly superior to conventional statistical methods and single predictors. The random forest model yielded the best performance (AUC = 0.973), followed by artificial neural network (AUC = 0.915), support vector machine (AUC = 0.882), logistic regression (AUC = 0.844), decision tree (AUC = 0.821), drug holiday alone (AUC = 0.810), and CTX level alone (AUC = 0.630). Machine learning methods showed superior performance in predicting BRONJ associated with dental extraction compared to conventional statistical methods using drug holiday and serum CTX level. Machine learning can thus be applied in a wide range of clinical studies. Copyright © 2017. Published by Elsevier Inc.

Automated generation and ensemble-learned matching of X-ray absorption spectra

NASA Astrophysics Data System (ADS)

Zheng, Chen; Mathew, Kiran; Chen, Chi; Chen, Yiming; Tang, Hanmei; Dozier, Alan; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Piper, Louis F. J.; Persson, Kristin A.; Ong, Shyue Ping

2018-12-01

X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Machine Learning

NASA Astrophysics Data System (ADS)

Hoffmann, Achim; Mahidadia, Ashesh

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

Multi-centre diagnostic classification of individual structural neuroimaging scans from patients with major depressive disorder.

PubMed

Mwangi, Benson; Ebmeier, Klaus P; Matthews, Keith; Steele, J Douglas

2012-05-01

Quantitative abnormalities of brain structure in patients with major depressive disorder have been reported at a group level for decades. However, these structural differences appear subtle in comparison with conventional radiologically defined abnormalities, with considerable inter-subject variability. Consequently, it has not been possible to readily identify scans from patients with major depressive disorder at an individual level. Recently, machine learning techniques such as relevance vector machines and support vector machines have been applied to predictive classification of individual scans with variable success. Here we describe a novel hybrid method, which combines machine learning with feature selection and characterization, with the latter aimed at maximizing the accuracy of machine learning prediction. The method was tested using a multi-centre dataset of T(1)-weighted 'structural' scans. A total of 62 patients with major depressive disorder and matched controls were recruited from referred secondary care clinical populations in Aberdeen and Edinburgh, UK. The generalization ability and predictive accuracy of the classifiers was tested using data left out of the training process. High prediction accuracy was achieved (~90%). While feature selection was important for maximizing high predictive accuracy with machine learning, feature characterization contributed only a modest improvement to relevance vector machine-based prediction (~5%). Notably, while the only information provided for training the classifiers was T(1)-weighted scans plus a categorical label (major depressive disorder versus controls), both relevance vector machine and support vector machine 'weighting factors' (used for making predictions) correlated strongly with subjective ratings of illness severity. These results indicate that machine learning techniques have the potential to inform clinical practice and research, as they can make accurate predictions about brain scan data from individual subjects. Furthermore, machine learning weighting factors may reflect an objective biomarker of major depressive disorder illness severity, based on abnormalities of brain structure.

Evolving autonomous learning in cognitive networks.

PubMed

Sheneman, Leigh; Hintze, Arend

2017-12-01

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

Using Machine Learning for Behavior-Based Access Control: Scalable Anomaly Detection on TCP Connections and HTTP Requests

DTIC Science & Technology

2013-11-01

machine learning techniques used in BBAC to make predictions about the intent of actors establishing TCP connections and issuing HTTP requests. We discuss pragmatic challenges and solutions we encountered in implementing and evaluating BBAC, discussing (a) the general concepts underlying BBAC, (b) challenges we have encountered in identifying suitable datasets, (c) mitigation strategies to cope...and describe current plans for transitioning BBAC capabilities into the Department of Defense together with lessons learned for the machine learning

Generative Modeling for Machine Learning on the D-Wave

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

Thulasidasan, Sunil

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.

Implementing Machine Learning in the PCWG Tool

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

Clifton, Andrew; Ding, Yu; Stuart, Peter

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.

Mining protein database using machine learning techniques.

PubMed

Camargo, Renata da Silva; Niranjan, Mahesan

2008-08-25

With a large amount of information relating to proteins accumulating in databases widely available online, it is of interest to apply machine learning techniques that, by extracting underlying statistical regularities in the data, make predictions about the functional and evolutionary characteristics of unseen proteins. Such predictions can help in achieving a reduction in the space over which experiment designers need to search in order to improve our understanding of the biochemical properties. Previously it has been suggested that an integration of features computable by comparing a pair of proteins can be achieved by an artificial neural network, hence predicting the degree to which they may be evolutionary related and homologous.
We compiled two datasets of pairs of proteins, each pair being characterised by seven distinct features. We performed an exhaustive search through all possible combinations of features, for the problem of separating remote homologous from analogous pairs, we note that significant performance gain was obtained by the inclusion of sequence and structure information. We find that the use of a linear classifier was enough to discriminate a protein pair at the family level. However, at the superfamily level, to detect remote homologous pairs was a relatively harder problem. We find that the use of nonlinear classifiers achieve significantly higher accuracies.
In this paper, we compare three different pattern classification methods on two problems formulated as detecting evolutionary and functional relationships between pairs of proteins, and from extensive cross validation and feature selection based studies quantify the average limits and uncertainties with which such predictions may be made. Feature selection points to a \\"knowledge gap\\" in currently available functional annotations. We demonstrate how the scheme may be employed in a framework to associate an individual protein with an existing family of evolutionarily related proteins.

Rapid assessment of tsunami impact from real-time seismology and geographic, historical other datasets using machine learning

NASA Astrophysics Data System (ADS)

Michelini, Alberto; Lomax, Anthony

2017-04-01

The impact of an earthquake, tsunami, volcanic eruption, severe weather or other natural disaster is related to: the intensity of the hazard; the vulnerability or exposure of the population, such as housing quality, infrastructure and proximity to a coastlines; and the capacity to resist and cope with the disaster. Rapid assessment by monitoring agencies of the impact of a natural event is fundamental for early warning and response. We previously* proposed the "tsunami importance" parameter, It, for characterizing the strength of a tsunami. This parameter combines 5 descriptive indices from the NOAA/WDC Historical Tsunami Database: 4 tsunami impact measures (deaths, injuries, damage, houses destroyed), and maximum water height. Accordingly, It = 2 corresponds approximately to the JMA threshold for issuing a ''Tsunami Warning'' whereas the largest or most devastating tsunamis typically have It = 10. Here we discuss extending this simple, 5-component parameter with additional impact-related measures from relevant databases (e.g., LandScan population density, major infrastructures) and historical / archaeological information, and measures that might be obtained in near-real-time (e.g., emergency services, news, social media). We combine these measures with seismological and other real-time observations as an ensemble of features within automated procedures to estimate impact and guide decision making. We examine using modern machine learning methodologies to train and calibrate the procedures, while working with high-dimensional feature space. * Lomax, A. and A. Michelini (2011), Tsunami early warning using earthquake rupture duration and P-wave dominant period: the importance of length and depth of faulting, Geophys. J. Int., 185, 283-291, doi: 10.1111/j.1365-246X.2010.04916.x

Adaptive Learning Systems: Beyond Teaching Machines

ERIC Educational Resources Information Center

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…

32 CFR 518.20 - Collection of fees and fee rates.

Code of Federal Regulations, 2014 CFR

2014-07-01

...; individual time (hereafter referred to as human time), and machine time. (i) Human time. Human time is all the time spent by humans performing the necessary tasks to prepare the job for a machine to execute..., programmer, database administrator, or action officer). (ii) Machine time. Machine time involves only direct...

32 CFR 518.20 - Collection of fees and fee rates.

Code of Federal Regulations, 2012 CFR

2012-07-01

...; individual time (hereafter referred to as human time), and machine time. (i) Human time. Human time is all the time spent by humans performing the necessary tasks to prepare the job for a machine to execute..., programmer, database administrator, or action officer). (ii) Machine time. Machine time involves only direct...

32 CFR 518.20 - Collection of fees and fee rates.

Code of Federal Regulations, 2013 CFR

2013-07-01

...; individual time (hereafter referred to as human time), and machine time. (i) Human time. Human time is all the time spent by humans performing the necessary tasks to prepare the job for a machine to execute..., programmer, database administrator, or action officer). (ii) Machine time. Machine time involves only direct...

Information mining in remote sensing imagery

NASA Astrophysics Data System (ADS)

Li, Jiang

The volume of remotely sensed imagery continues to grow at an enormous rate due to the advances in sensor technology, and our capability for collecting and storing images has greatly outpaced our ability to analyze and retrieve information from the images. This motivates us to develop image information mining techniques, which is very much an interdisciplinary endeavor drawing upon expertise in image processing, databases, information retrieval, machine learning, and software design. This dissertation proposes and implements an extensive remote sensing image information mining (ReSIM) system prototype for mining useful information implicitly stored in remote sensing imagery. The system consists of three modules: image processing subsystem, database subsystem, and visualization and graphical user interface (GUI) subsystem. Land cover and land use (LCLU) information corresponding to spectral characteristics is identified by supervised classification based on support vector machines (SVM) with automatic model selection, while textural features that characterize spatial information are extracted using Gabor wavelet coefficients. Within LCLU categories, textural features are clustered using an optimized k-means clustering approach to acquire search efficient space. The clusters are stored in an object-oriented database (OODB) with associated images indexed in an image database (IDB). A k-nearest neighbor search is performed using a query-by-example (QBE) approach. Furthermore, an automatic parametric contour tracing algorithm and an O(n) time piecewise linear polygonal approximation (PLPA) algorithm are developed for shape information mining of interesting objects within the image. A fuzzy object-oriented database based on the fuzzy object-oriented data (FOOD) model is developed to handle the fuzziness and uncertainty. Three specific applications are presented: integrated land cover and texture pattern mining, shape information mining for change detection of lakes, and fuzzy normalized difference vegetation index (NDVI) pattern mining. The study results show the effectiveness of the proposed system prototype and the potentials for other applications in remote sensing.

Quantum neural network based machine translator for Hindi to English.

PubMed

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

2014-01-01

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

Spotting L3 slice in CT scans using deep convolutional network and transfer learning.

PubMed

Belharbi, Soufiane; Chatelain, Clément; Hérault, Romain; Adam, Sébastien; Thureau, Sébastien; Chastan, Mathieu; Modzelewski, Romain

2017-08-01

In this article, we present a complete automated system for spotting a particular slice in a complete 3D Computed Tomography exam (CT scan). Our approach does not require any assumptions on which part of the patient's body is covered by the scan. It relies on an original machine learning regression approach. Our models are learned using the transfer learning trick by exploiting deep architectures that have been pre-trained on imageNet database, and therefore it requires very little annotation for its training. The whole pipeline consists of three steps: i) conversion of the CT scans into Maximum Intensity Projection (MIP) images, ii) prediction from a Convolutional Neural Network (CNN) applied in a sliding window fashion over the MIP image, and iii) robust analysis of the prediction sequence to predict the height of the desired slice within the whole CT scan. Our approach is applied to the detection of the third lumbar vertebra (L3) slice that has been found to be representative to the whole body composition. Our system is evaluated on a database collected in our clinical center, containing 642 CT scans from different patients. We obtained an average localization error of 1.91±2.69 slices (less than 5 mm) in an average time of less than 2.5 s/CT scan, allowing integration of the proposed system into daily clinical routines. Copyright © 2017 Elsevier Ltd. All rights reserved.

Diverse expected gradient active learning for relative attributes.

PubMed

You, Xinge; Wang, Ruxin; Tao, Dacheng

2014-07-01

The use of relative attributes for semantic understanding of images and videos is a promising way to improve communication between humans and machines. However, it is extremely labor- and time-consuming to define multiple attributes for each instance in large amount of data. One option is to incorporate active learning, so that the informative samples can be actively discovered and then labeled. However, most existing active-learning methods select samples one at a time (serial mode), and may therefore lose efficiency when learning multiple attributes. In this paper, we propose a batch-mode active-learning method, called diverse expected gradient active learning. This method integrates an informativeness analysis and a diversity analysis to form a diverse batch of queries. Specifically, the informativeness analysis employs the expected pairwise gradient length as a measure of informativeness, while the diversity analysis forces a constraint on the proposed diverse gradient angle. Since simultaneous optimization of these two parts is intractable, we utilize a two-step procedure to obtain the diverse batch of queries. A heuristic method is also introduced to suppress imbalanced multiclass distributions. Empirical evaluations of three different databases demonstrate the effectiveness and efficiency of the proposed approach.

Diverse Expected Gradient Active Learning for Relative Attributes.

PubMed

You, Xinge; Wang, Ruxin; Tao, Dacheng

2014-06-02

The use of relative attributes for semantic understanding of images and videos is a promising way to improve communication between humans and machines. However, it is extremely labor- and time-consuming to define multiple attributes for each instance in large amount of data. One option is to incorporate active learning, so that the informative samples can be actively discovered and then labeled. However, most existing active-learning methods select samples one at a time (serial mode), and may therefore lose efficiency when learning multiple attributes. In this paper, we propose a batch-mode active-learning method, called Diverse Expected Gradient Active Learning (DEGAL). This method integrates an informativeness analysis and a diversity analysis to form a diverse batch of queries. Specifically, the informativeness analysis employs the expected pairwise gradient length as a measure of informativeness, while the diversity analysis forces a constraint on the proposed diverse gradient angle. Since simultaneous optimization of these two parts is intractable, we utilize a two-step procedure to obtain the diverse batch of queries. A heuristic method is also introduced to suppress imbalanced multi-class distributions. Empirical evaluations of three different databases demonstrate the effectiveness and efficiency of the proposed approach.

Energy landscapes for machine learning

NASA Astrophysics Data System (ADS)

Ballard, Andrew J.; Das, Ritankar; Martiniani, Stefano; Mehta, Dhagash; Sagun, Levent; Stevenson, Jacob D.; Wales, David J.

Machine learning techniques are being increasingly used as flexible non-linear fitting and prediction tools in the physical sciences. Fitting functions that exhibit multiple solutions as local minima can be analysed in terms of the corresponding machine learning landscape. Methods to explore and visualise molecular potential energy landscapes can be applied to these machine learning landscapes to gain new insight into the solution space involved in training and the nature of the corresponding predictions. In particular, we can define quantities analogous to molecular structure, thermodynamics, and kinetics, and relate these emergent properties to the structure of the underlying landscape. This Perspective aims to describe these analogies with examples from recent applications, and suggest avenues for new interdisciplinary research.

Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

NASA Astrophysics Data System (ADS)

Seko, Atsuto; Hayashi, Hiroyuki; Kashima, Hisashi; Tanaka, Isao

2018-01-01

Chemically relevant compositions (CRCs) and atomic arrangements of inorganic compounds have been collected as inorganic crystal structure databases. Machine learning is a unique approach to search for currently unknown CRCs from vast candidates. Herein we propose matrix- and tensor-based recommender system approaches to predict currently unknown CRCs from database entries of CRCs. Firstly, the performance of the recommender system approaches to discover currently unknown CRCs is examined. A Tucker decomposition recommender system shows the best discovery rate of CRCs as the majority of the top 100 recommended ternary and quaternary compositions correspond to CRCs. Secondly, systematic density functional theory (DFT) calculations are performed to investigate the phase stability of the recommended compositions. The phase stability of the 27 compositions reveals that 23 currently unknown compounds are newly found to be stable. These results indicate that the recommender system has great potential to accelerate the discovery of new compounds.

Tchebichef moment based restoration of Gaussian blurred images.

PubMed

Kumar, Ahlad; Paramesran, Raveendran; Lim, Chern-Loon; Dass, Sarat C

2016-11-10

With the knowledge of how edges vary in the presence of a Gaussian blur, a method that uses low-order Tchebichef moments is proposed to estimate the blur parameters: sigma (σ) and size (w). The difference between the Tchebichef moments of the original and the reblurred images is used as feature vectors to train an extreme learning machine for estimating the blur parameters (σ,w). The effectiveness of the proposed method to estimate the blur parameters is examined using cross-database validation. The estimated blur parameters from the proposed method are used in the split Bregman-based image restoration algorithm. A comparative analysis of the proposed method with three existing methods using all the images from the LIVE database is carried out. The results show that the proposed method in most of the cases performs better than the three existing methods in terms of the visual quality evaluated using the structural similarity index.

Diamond Eye: a distributed architecture for image data mining

NASA Astrophysics Data System (ADS)

Burl, Michael C.; Fowlkes, Charless; Roden, Joe; Stechert, Andre; Mukhtar, Saleem

1999-02-01

Diamond Eye is a distributed software architecture, which enables users (scientists) to analyze large image collections by interacting with one or more custom data mining servers via a Java applet interface. Each server is coupled with an object-oriented database and a computational engine, such as a network of high-performance workstations. The database provides persistent storage and supports querying of the 'mined' information. The computational engine provides parallel execution of expensive image processing, object recognition, and query-by-content operations. Key benefits of the Diamond Eye architecture are: (1) the design promotes trial evaluation of advanced data mining and machine learning techniques by potential new users (all that is required is to point a web browser to the appropriate URL), (2) software infrastructure that is common across a range of science mining applications is factored out and reused, and (3) the system facilitates closer collaborations between algorithm developers and domain experts.

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

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

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

1988-01-01

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

The New Possibilities from "Big Data" to Overlooked Associations Between Diabetes, Biochemical Parameters, Glucose Control, and Osteoporosis.

PubMed

Kruse, Christian

2018-06-01

To review current practices and technologies within the scope of "Big Data" that can further our understanding of diabetes mellitus and osteoporosis from large volumes of data. "Big Data" techniques involving supervised machine learning, unsupervised machine learning, and deep learning image analysis are presented with examples of current literature. Supervised machine learning can allow us to better predict diabetes-induced osteoporosis and understand relative predictor importance of diabetes-affected bone tissue. Unsupervised machine learning can allow us to understand patterns in data between diabetic pathophysiology and altered bone metabolism. Image analysis using deep learning can allow us to be less dependent on surrogate predictors and use large volumes of images to classify diabetes-induced osteoporosis and predict future outcomes directly from images. "Big Data" techniques herald new possibilities to understand diabetes-induced osteoporosis and ascertain our current ability to classify, understand, and predict this condition.

Vowel Imagery Decoding toward Silent Speech BCI Using Extreme Learning Machine with Electroencephalogram

PubMed Central

Kim, Jongin; Park, Hyeong-jun

2016-01-01

The purpose of this study is to classify EEG data on imagined speech in a single trial. We recorded EEG data while five subjects imagined different vowels, /a/, /e/, /i/, /o/, and /u/. We divided each single trial dataset into thirty segments and extracted features (mean, variance, standard deviation, and skewness) from all segments. To reduce the dimension of the feature vector, we applied a feature selection algorithm based on the sparse regression model. These features were classified using a support vector machine with a radial basis function kernel, an extreme learning machine, and two variants of an extreme learning machine with different kernels. Because each single trial consisted of thirty segments, our algorithm decided the label of the single trial by selecting the most frequent output among the outputs of the thirty segments. As a result, we observed that the extreme learning machine and its variants achieved better classification rates than the support vector machine with a radial basis function kernel and linear discrimination analysis. Thus, our results suggested that EEG responses to imagined speech could be successfully classified in a single trial using an extreme learning machine with a radial basis function and linear kernel. This study with classification of imagined speech might contribute to the development of silent speech BCI systems. PMID:28097128

Validating Machine Learning Algorithms for Twitter Data Against Established Measures of Suicidality.

PubMed

Braithwaite, Scott R; Giraud-Carrier, Christophe; West, Josh; Barnes, Michael D; Hanson, Carl Lee

2016-05-16

One of the leading causes of death in the United States (US) is suicide and new methods of assessment are needed to track its risk in real time. Our objective is to validate the use of machine learning algorithms for Twitter data against empirically validated measures of suicidality in the US population. Using a machine learning algorithm, the Twitter feeds of 135 Mechanical Turk (MTurk) participants were compared with validated, self-report measures of suicide risk. Our findings show that people who are at high suicidal risk can be easily differentiated from those who are not by machine learning algorithms, which accurately identify the clinically significant suicidal rate in 92% of cases (sensitivity: 53%, specificity: 97%, positive predictive value: 75%, negative predictive value: 93%). Machine learning algorithms are efficient in differentiating people who are at a suicidal risk from those who are not. Evidence for suicidality can be measured in nonclinical populations using social media data.

Validating Machine Learning Algorithms for Twitter Data Against Established Measures of Suicidality

PubMed Central

2016-01-01

Background One of the leading causes of death in the United States (US) is suicide and new methods of assessment are needed to track its risk in real time. Objective Our objective is to validate the use of machine learning algorithms for Twitter data against empirically validated measures of suicidality in the US population. Methods Using a machine learning algorithm, the Twitter feeds of 135 Mechanical Turk (MTurk) participants were compared with validated, self-report measures of suicide risk. Results Our findings show that people who are at high suicidal risk can be easily differentiated from those who are not by machine learning algorithms, which accurately identify the clinically significant suicidal rate in 92% of cases (sensitivity: 53%, specificity: 97%, positive predictive value: 75%, negative predictive value: 93%). Conclusions Machine learning algorithms are efficient in differentiating people who are at a suicidal risk from those who are not. Evidence for suicidality can be measured in nonclinical populations using social media data. PMID:27185366

Radar detection with the Neyman-Pearson criterion using supervised-learning-machines trained with the cross-entropy error

NASA Astrophysics Data System (ADS)

Jarabo-Amores, María-Pilar; la Mata-Moya, David de; Gil-Pita, Roberto; Rosa-Zurera, Manuel

2013-12-01

The application of supervised learning machines trained to minimize the Cross-Entropy error to radar detection is explored in this article. The detector is implemented with a learning machine that implements a discriminant function, which output is compared to a threshold selected to fix a desired probability of false alarm. The study is based on the calculation of the function the learning machine approximates to during training, and the application of a sufficient condition for a discriminant function to be used to approximate the optimum Neyman-Pearson (NP) detector. In this article, the function a supervised learning machine approximates to after being trained to minimize the Cross-Entropy error is obtained. This discriminant function can be used to implement the NP detector, which maximizes the probability of detection, maintaining the probability of false alarm below or equal to a predefined value. Some experiments about signal detection using neural networks are also presented to test the validity of the study.

AstroML: Python-powered Machine Learning for Astronomy

NASA Astrophysics Data System (ADS)

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

2014-01-01

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

The impact of machine learning techniques in the study of bipolar disorder: A systematic review.

PubMed

Librenza-Garcia, Diego; Kotzian, Bruno Jaskulski; Yang, Jessica; Mwangi, Benson; Cao, Bo; Pereira Lima, Luiza Nunes; Bermudez, Mariane Bagatin; Boeira, Manuela Vianna; Kapczinski, Flávio; Passos, Ives Cavalcante

2017-09-01

Machine learning techniques provide new methods to predict diagnosis and clinical outcomes at an individual level. We aim to review the existing literature on the use of machine learning techniques in the assessment of subjects with bipolar disorder. We systematically searched PubMed, Embase and Web of Science for articles published in any language up to January 2017. We found 757 abstracts and included 51 studies in our review. Most of the included studies used multiple levels of biological data to distinguish the diagnosis of bipolar disorder from other psychiatric disorders or healthy controls. We also found studies that assessed the prediction of clinical outcomes and studies using unsupervised machine learning to build more consistent clinical phenotypes of bipolar disorder. We concluded that given the clinical heterogeneity of samples of patients with BD, machine learning techniques may provide clinicians and researchers with important insights in fields such as diagnosis, personalized treatment and prognosis orientation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Analyzing critical material demand: A revised approach.

PubMed

Nguyen, Ruby Thuy; Fishman, Tomer; Zhao, Fu; Imholte, D D; Graedel, T E

2018-07-15

Apparent consumption has been widely used as a metric to estimate material demand. However, with technology advancement and complexity of material use, this metric has become less useful in tracking material flows, estimating recycling feedstocks, and conducting life cycle assessment of critical materials. We call for future research efforts to focus on building a multi-tiered consumption database for the global trade network of critical materials. This approach will help track how raw materials are processed into major components (e.g., motor assemblies) and eventually incorporated into complete pieces of equipment (e.g., wind turbines). Foreseeable challenges would involve: 1) difficulty in obtaining a comprehensive picture of trade partners due to business sensitive information, 2) complexity of materials going into components of a machine, and 3) difficulty maintaining such a database. We propose ways to address these challenges such as making use of digital design, learning from the experience of building similar databases, and developing a strategy for financial sustainability. We recommend that, with the advancement of information technology, small steps toward building such a database will contribute significantly to our understanding of material flows in society and the associated human impacts on the environment. Copyright © 2018 Elsevier B.V. All rights reserved.

Machine learning for neuroimaging with scikit-learn.

PubMed

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.

Machine learning for neuroimaging with scikit-learn

PubMed Central

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. PMID:24600388

Machine Learning to Discover and Optimize Materials

NASA Astrophysics Data System (ADS)

Rosenbrock, Conrad Waldhar

For centuries, scientists have dreamed of creating materials by design. Rather than discovery by accident, bespoke materials could be tailored to fulfill specific technological needs. Quantum theory and computational methods are essentially equal to the task, and computational power is the new bottleneck. Machine learning has the potential to solve that problem by approximating material behavior at multiple length scales. A full end-to-end solution must allow us to approximate the quantum mechanics, microstructure and engineering tasks well enough to be predictive in the real world. In this dissertation, I present algorithms and methodology to address some of these problems at various length scales. In the realm of enumeration, systems with many degrees of freedom such as high-entropy alloys may contain prohibitively many unique possibilities so that enumerating all of them would exhaust available compute memory. One possible way to address this problem is to know in advance how many possibilities there are so that the user can reduce their search space by restricting the occupation of certain lattice sites. Although tools to calculate this number were available, none performed well for very large systems and none could easily be integrated into low-level languages for use in existing scientific codes. I present an algorithm to solve these problems. Testing the robustness of machine-learned models is an essential component in any materials discovery or optimization application. While it is customary to perform a small number of system-specific tests to validate an approach, this may be insufficient in many cases. In particular, for Cluster Expansion models, the expansion may not converge quickly enough to be useful and reliable. Although the method has been used for decades, a rigorous investigation across many systems to determine when CE "breaks" was still lacking. This dissertation includes this investigation along with heuristics that use only a small training database to predict whether a model is worth pursuing in detail. To be useful, computational materials discovery must lead to experimental validation. However, experiments are difficult due to sample purity, environmental effects and a host of other considerations. In many cases, it is difficult to connect theory to experiment because computation is deterministic. By combining advanced group theory with machine learning, we created a new tool that bridges the gap between experiment and theory so that experimental and computed phase diagrams can be harmonized. Grain boundaries in real materials control many important material properties such as corrosion, thermal conductivity, and creep. Because of their high dimensionality, learning the underlying physics to optimizing grain boundaries is extremely complex. By leveraging a mathematically rigorous representation for local atomic environments, machine learning becomes a powerful tool to approximate properties for grain boundaries. But it also goes beyond predicting properties by highlighting those atomic environments that are most important for influencing the boundary properties. This provides an immense dimensionality reduction that empowers grain boundary scientists to know where to look for deeper physical insights.

Machine learning methods for the classification of gliomas: Initial results using features extracted from MR spectroscopy.

PubMed

Ranjith, G; Parvathy, R; Vikas, V; Chandrasekharan, Kesavadas; Nair, Suresh

2015-04-01

With the advent of new imaging modalities, radiologists are faced with handling increasing volumes of data for diagnosis and treatment planning. The use of automated and intelligent systems is becoming essential in such a scenario. Machine learning, a branch of artificial intelligence, is increasingly being used in medical image analysis applications such as image segmentation, registration and computer-aided diagnosis and detection. Histopathological analysis is currently the gold standard for classification of brain tumors. The use of machine learning algorithms along with extraction of relevant features from magnetic resonance imaging (MRI) holds promise of replacing conventional invasive methods of tumor classification. The aim of the study is to classify gliomas into benign and malignant types using MRI data. Retrospective data from 28 patients who were diagnosed with glioma were used for the analysis. WHO Grade II (low-grade astrocytoma) was classified as benign while Grade III (anaplastic astrocytoma) and Grade IV (glioblastoma multiforme) were classified as malignant. Features were extracted from MR spectroscopy. The classification was done using four machine learning algorithms: multilayer perceptrons, support vector machine, random forest and locally weighted learning. Three of the four machine learning algorithms gave an area under ROC curve in excess of 0.80. Random forest gave the best performance in terms of AUC (0.911) while sensitivity was best for locally weighted learning (86.1%). The performance of different machine learning algorithms in the classification of gliomas is promising. An even better performance may be expected by integrating features extracted from other MR sequences. © The Author(s) 2015 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Use of Advanced Machine-Learning Techniques for Non-Invasive Monitoring of Hemorrhage

DTIC Science & Technology

2010-04-01

that state-of-the-art machine learning techniques when integrated with novel non-invasive monitoring technologies could detect subtle, physiological...decompensation. Continuous, non-invasively measured hemodynamic signals (e.g., ECG, blood pressures, stroke volume) were used for the development of machine ... learning algorithms. Accuracy estimates were obtained by building models using 27 subjects and testing on the 28th. This process was repeated 28 times

A Hybrid Method for Opinion Finding Task (KUNLP at TREC 2008 Blog Track)

DTIC Science & Technology

2008-11-01

retrieve relevant documents. For the Opinion Retrieval subtask, we propose a hybrid model of lexicon-based approach and machine learning approach for...estimating and ranking the opinionated documents. For the Polarized Opinion Retrieval subtask, we employ machine learning for predicting the polarity...and linear combination technique for ranking polar documents. The hybrid model which utilize both lexicon-based approach and machine learning approach

Time of Flight Estimation in the Presence of Outliers: A Biosonar-Inspired Machine Learning Approach

DTIC Science & Technology

2013-08-29

REPORT Time of Flight Estimation in the Presence of Outliers: A biosonar -inspired machine learning approach 14. ABSTRACT 16. SECURITY CLASSIFICATION OF...installations, biosonar , remote sensing, sonar resolution, sonar accuracy, sonar energy consumption Nathan Intrator, Leon N Cooper Brown University...Presence of Outliers: A biosonar -inspired machine learning approach Report Title ABSTRACT When the Signal-to-Noise Ratio (SNR) falls below a certain

The 3XMM spectral fit database

NASA Astrophysics Data System (ADS)

Georgantopoulos, I.; Corral, A.; Watson, M.; Carrera, F.; Webb, N.; Rosen, S.

2016-06-01

I will present the XMMFITCAT database which is a spectral fit inventory of the sources in the 3XMM catalogue. Spectra are available by the XMM/SSC for all 3XMM sources which have more than 50 background subtracted counts per module. This work is funded in the framework of the ESA Prodex project. The 3XMM catalog currently covers 877 sq. degrees and contains about 400,000 unique sources. Spectra are available for over 120,000 sources. Spectral fist have been performed with various spectral models. The results are available in the web page http://xraygroup.astro.noa.gr/ and also at the University of Leicester LEDAS database webpage ledas-www.star.le.ac.uk/. The database description as well as some science results in the joint area with SDSS are presented in two recent papers: Corral et al. 2015, A&A, 576, 61 and Corral et al. 2014, A&A, 569, 71. At least for extragalactic sources, the spectral fits will acquire added value when photometric redshifts become available. In the framework of a new Prodex project we have been funded to derive photometric redshifts for the 3XMM sources using machine learning techniques. I will present the techniques as well as the optical near-IR databases that will be used.

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

PubMed

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

2014-02-01

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

Hybrid forecasting of chaotic processes: Using machine learning in conjunction with a knowledge-based model

NASA Astrophysics Data System (ADS)

Pathak, Jaideep; Wikner, Alexander; Fussell, Rebeckah; Chandra, Sarthak; Hunt, Brian R.; Girvan, Michelle; Ott, Edward

2018-04-01

A model-based approach to forecasting chaotic dynamical systems utilizes knowledge of the mechanistic processes governing the dynamics to build an approximate mathematical model of the system. In contrast, machine learning techniques have demonstrated promising results for forecasting chaotic systems purely from past time series measurements of system state variables (training data), without prior knowledge of the system dynamics. The motivation for this paper is the potential of machine learning for filling in the gaps in our underlying mechanistic knowledge that cause widely-used knowledge-based models to be inaccurate. Thus, we here propose a general method that leverages the advantages of these two approaches by combining a knowledge-based model and a machine learning technique to build a hybrid forecasting scheme. Potential applications for such an approach are numerous (e.g., improving weather forecasting). We demonstrate and test the utility of this approach using a particular illustrative version of a machine learning known as reservoir computing, and we apply the resulting hybrid forecaster to a low-dimensional chaotic system, as well as to a high-dimensional spatiotemporal chaotic system. These tests yield extremely promising results in that our hybrid technique is able to accurately predict for a much longer period of time than either its machine-learning component or its model-based component alone.

Machine learning enhanced optical distance sensor

NASA Astrophysics Data System (ADS)

Amin, M. Junaid; Riza, N. A.

2018-01-01

Presented for the first time is a machine learning enhanced optical distance sensor. The distance sensor is based on our previously demonstrated distance measurement technique that uses an Electronically Controlled Variable Focus Lens (ECVFL) with a laser source to illuminate a target plane with a controlled optical beam spot. This spot with varying spot sizes is viewed by an off-axis camera and the spot size data is processed to compute the distance. In particular, proposed and demonstrated in this paper is the use of a regularized polynomial regression based supervised machine learning algorithm to enhance the accuracy of the operational sensor. The algorithm uses the acquired features and corresponding labels that are the actual target distance values to train a machine learning model. The optimized training model is trained over a 1000 mm (or 1 m) experimental target distance range. Using the machine learning algorithm produces a training set and testing set distance measurement errors of <0.8 mm and <2.2 mm, respectively. The test measurement error is at least a factor of 4 improvement over our prior sensor demonstration without the use of machine learning. Applications for the proposed sensor include industrial scenario distance sensing where target material specific training models can be generated to realize low <1% measurement error distance measurements.

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

PubMed Central

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

2017-01-01

Abstract Risk prediction plays an important role in clinical cardiology research. Traditionally, most risk models have been based on regression models. While useful and robust, these statistical methods are limited to using a small number of predictors which operate in the same way on everyone, and uniformly throughout their range. The purpose of this review is to illustrate the use of machine-learning methods for development of risk prediction models. Typically presented as black box approaches, most machine-learning methods are aimed at solving particular challenges that arise in data analysis that are not well addressed by typical regression approaches. To illustrate these challenges, as well as how different methods can address them, we consider trying to predicting mortality after diagnosis of acute myocardial infarction. We use data derived from our institution's electronic health record and abstract data on 13 regularly measured laboratory markers. We walk through different challenges that arise in modelling these data and then introduce different machine-learning approaches. Finally, we discuss general issues in the application of machine-learning methods including tuning parameters, loss functions, variable importance, and missing data. Overall, this review serves as an introduction for those working on risk modelling to approach the diffuse field of machine learning. PMID:27436868

Osteoporosis risk prediction using machine learning and conventional methods.

PubMed

Kim, Sung Kean; Yoo, Tae Keun; Oh, Ein; Kim, Deok Won

2013-01-01

A number of clinical decision tools for osteoporosis risk assessment have been developed to select postmenopausal women for the measurement of bone mineral density. We developed and validated machine learning models with the aim of more accurately identifying the risk of osteoporosis in postmenopausal women, and compared with the ability of a conventional clinical decision tool, osteoporosis self-assessment tool (OST). We collected medical records from Korean postmenopausal women based on the Korea National Health and Nutrition Surveys (KNHANES V-1). The training data set was used to construct models based on popular machine learning algorithms such as support vector machines (SVM), random forests (RF), artificial neural networks (ANN), and logistic regression (LR) based on various predictors associated with low bone density. The learning models were compared with OST. SVM had significantly better area under the curve (AUC) of the receiver operating characteristic (ROC) than ANN, LR, and OST. Validation on the test set showed that SVM predicted osteoporosis risk with an AUC of 0.827, accuracy of 76.7%, sensitivity of 77.8%, and specificity of 76.0%. We were the first to perform comparisons of the performance of osteoporosis prediction between the machine learning and conventional methods using population-based epidemiological data. The machine learning methods may be effective tools for identifying postmenopausal women at high risk for osteoporosis.

PMLB: a large benchmark suite for machine learning evaluation and comparison.

PubMed

Olson, Randal S; La Cava, William; Orzechowski, Patryk; Urbanowicz, Ryan J; Moore, Jason H

2017-01-01

The selection, development, or comparison of machine learning methods in data mining can be a difficult task based on the target problem and goals of a particular study. Numerous publicly available real-world and simulated benchmark datasets have emerged from different sources, but their organization and adoption as standards have been inconsistent. As such, selecting and curating specific benchmarks remains an unnecessary burden on machine learning practitioners and data scientists. The present study introduces an accessible, curated, and developing public benchmark resource to facilitate identification of the strengths and weaknesses of different machine learning methodologies. We compare meta-features among the current set of benchmark datasets in this resource to characterize the diversity of available data. Finally, we apply a number of established machine learning methods to the entire benchmark suite and analyze how datasets and algorithms cluster in terms of performance. From this study, we find that existing benchmarks lack the diversity to properly benchmark machine learning algorithms, and there are several gaps in benchmarking problems that still need to be considered. This work represents another important step towards understanding the limitations of popular benchmarking suites and developing a resource that connects existing benchmarking standards to more diverse and efficient standards in the future.

Creating Situational Awareness in Spacecraft Operations with the Machine Learning Approach

NASA Astrophysics Data System (ADS)

Li, Z.

2016-09-01

This paper presents a machine learning approach for the situational awareness capability in spacecraft operations. There are two types of time dependent data patterns for spacecraft datasets: the absolute time pattern (ATP) and the relative time pattern (RTP). The machine learning captures the data patterns of the satellite datasets through the data training during the normal operations, which is represented by its time dependent trend. The data monitoring compares the values of the incoming data with the predictions of machine learning algorithm, which can detect any meaningful changes to a dataset above the noise level. If the difference between the value of incoming telemetry and the machine learning prediction are larger than the threshold defined by the standard deviation of datasets, it could indicate the potential anomaly that may need special attention. The application of the machine-learning approach to the Advanced Himawari Imager (AHI) on Japanese Himawari spacecraft series is presented, which has the same configuration as the Advanced Baseline Imager (ABI) on Geostationary Environment Operational Satellite (GOES) R series. The time dependent trends generated by the data-training algorithm are in excellent agreement with the datasets. The standard deviation in the time dependent trend provides a metric for measuring the data quality, which is particularly useful in evaluating the detector quality for both AHI and ABI with multiple detectors in each channel. The machine-learning approach creates the situational awareness capability, and enables engineers to handle the huge data volume that would have been impossible with the existing approach, and it leads to significant advances to more dynamic, proactive, and autonomous spacecraft operations.

Study of Environmental Data Complexity using Extreme Learning Machine

NASA Astrophysics Data System (ADS)

Leuenberger, Michael; Kanevski, Mikhail

2017-04-01

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

Deep Learning Accurately Predicts Estrogen Receptor Status in Breast Cancer Metabolomics Data.

PubMed

Alakwaa, Fadhl M; Chaudhary, Kumardeep; Garmire, Lana X

2018-01-05

Metabolomics holds the promise as a new technology to diagnose highly heterogeneous diseases. Conventionally, metabolomics data analysis for diagnosis is done using various statistical and machine learning based classification methods. However, it remains unknown if deep neural network, a class of increasingly popular machine learning methods, is suitable to classify metabolomics data. Here we use a cohort of 271 breast cancer tissues, 204 positive estrogen receptor (ER+), and 67 negative estrogen receptor (ER-) to test the accuracies of feed-forward networks, a deep learning (DL) framework, as well as six widely used machine learning models, namely random forest (RF), support vector machines (SVM), recursive partitioning and regression trees (RPART), linear discriminant analysis (LDA), prediction analysis for microarrays (PAM), and generalized boosted models (GBM). DL framework has the highest area under the curve (AUC) of 0.93 in classifying ER+/ER- patients, compared to the other six machine learning algorithms. Furthermore, the biological interpretation of the first hidden layer reveals eight commonly enriched significant metabolomics pathways (adjusted P-value <0.05) that cannot be discovered by other machine learning methods. Among them, protein digestion and absorption and ATP-binding cassette (ABC) transporters pathways are also confirmed in integrated analysis between metabolomics and gene expression data in these samples. In summary, deep learning method shows advantages for metabolomics based breast cancer ER status classification, with both the highest prediction accuracy (AUC = 0.93) and better revelation of disease biology. We encourage the adoption of feed-forward networks based deep learning method in the metabolomics research community for classification.

Evolutionary fuzzy ARTMAP neural networks for classification of semiconductor defects.

PubMed

Tan, Shing Chiang; Watada, Junzo; Ibrahim, Zuwairie; Khalid, Marzuki

2015-05-01

Wafer defect detection using an intelligent system is an approach of quality improvement in semiconductor manufacturing that aims to enhance its process stability, increase production capacity, and improve yields. Occasionally, only few records that indicate defective units are available and they are classified as a minority group in a large database. Such a situation leads to an imbalanced data set problem, wherein it engenders a great challenge to deal with by applying machine-learning techniques for obtaining effective solution. In addition, the database may comprise overlapping samples of different classes. This paper introduces two models of evolutionary fuzzy ARTMAP (FAM) neural networks to deal with the imbalanced data set problems in a semiconductor manufacturing operations. In particular, both the FAM models and hybrid genetic algorithms are integrated in the proposed evolutionary artificial neural networks (EANNs) to classify an imbalanced data set. In addition, one of the proposed EANNs incorporates a facility to learn overlapping samples of different classes from the imbalanced data environment. The classification results of the proposed evolutionary FAM neural networks are presented, compared, and analyzed using several classification metrics. The outcomes positively indicate the effectiveness of the proposed networks in handling classification problems with imbalanced data sets.

Use of Fetal Magnetic Resonance Image Analysis and Machine Learning to Predict the Need for Postnatal Cerebrospinal Fluid Diversion in Fetal Ventriculomegaly.

PubMed

Pisapia, Jared M; Akbari, Hamed; Rozycki, Martin; Goldstein, Hannah; Bakas, Spyridon; Rathore, Saima; Moldenhauer, Julie S; Storm, Phillip B; Zarnow, Deborah M; Anderson, Richard C E; Heuer, Gregory G; Davatzikos, Christos

2018-02-01

Which children with fetal ventriculomegaly, or enlargement of the cerebral ventricles in utero, will develop hydrocephalus requiring treatment after birth is unclear. To determine whether extraction of multiple imaging features from fetal magnetic resonance imaging (MRI) and integration using machine learning techniques can predict which patients require postnatal cerebrospinal fluid (CSF) diversion after birth. This retrospective case-control study used an institutional database of 253 patients with fetal ventriculomegaly from January 1, 2008, through December 31, 2014, to generate a predictive model. Data were analyzed from January 1, 2008, through December 31, 2015. All 25 patients who required postnatal CSF diversion were selected and matched by gestational age with 25 patients with fetal ventriculomegaly who did not require CSF diversion (discovery cohort). The model was applied to a sample of 24 consecutive patients with fetal ventriculomegaly who underwent evaluation at a separate institution (replication cohort) from January 1, 1998, through December 31, 2007. Data were analyzed from January 1, 1998, through December 31, 2009. To generate the model, linear measurements, area, volume, and morphologic features were extracted from the fetal MRI, and a machine learning algorithm analyzed multiple features simultaneously to find the combination that was most predictive of the need for postnatal CSF diversion. Accuracy, sensitivity, and specificity of the model in correctly classifying patients requiring postnatal CSF diversion. A total of 74 patients (41 girls [55%] and 33 boys [45%]; mean [SD] gestational age, 27.0 [5.6] months) were included from both cohorts. In the discovery cohort, median time to CSF diversion was 6 days (interquartile range [IQR], 2-51 days), and patients with fetal ventriculomegaly who did not develop symptoms were followed up for a median of 29 months (IQR, 9-46 months). The model correctly classified patients who required CSF diversion with 82% accuracy, 80% sensitivity, and 84% specificity. In the replication cohort, the model achieved 91% accuracy, 75% sensitivity, and 95% specificity. Image analysis and machine learning can be applied to fetal MRI findings to predict the need for postnatal CSF diversion. The model provides prognostic information that may guide clinical management and select candidates for potential fetal surgical intervention.

Machine Learning Algorithms Outperform Conventional Regression Models in Predicting Development of Hepatocellular Carcinoma

PubMed Central

Singal, Amit G.; Mukherjee, Ashin; Elmunzer, B. Joseph; Higgins, Peter DR; Lok, Anna S.; Zhu, Ji; Marrero, Jorge A; Waljee, Akbar K

2015-01-01

Background Predictive models for hepatocellular carcinoma (HCC) have been limited by modest accuracy and lack of validation. Machine learning algorithms offer a novel methodology, which may improve HCC risk prognostication among patients with cirrhosis. Our study's aim was to develop and compare predictive models for HCC development among cirrhotic patients, using conventional regression analysis and machine learning algorithms. Methods We enrolled 442 patients with Child A or B cirrhosis at the University of Michigan between January 2004 and September 2006 (UM cohort) and prospectively followed them until HCC development, liver transplantation, death, or study termination. Regression analysis and machine learning algorithms were used to construct predictive models for HCC development, which were tested on an independent validation cohort from the Hepatitis C Antiviral Long-term Treatment against Cirrhosis (HALT-C) Trial. Both models were also compared to the previously published HALT-C model. Discrimination was assessed using receiver operating characteristic curve analysis and diagnostic accuracy was assessed with net reclassification improvement and integrated discrimination improvement statistics. Results After a median follow-up of 3.5 years, 41 patients developed HCC. The UM regression model had a c-statistic of 0.61 (95%CI 0.56-0.67), whereas the machine learning algorithm had a c-statistic of 0.64 (95%CI 0.60–0.69) in the validation cohort. The machine learning algorithm had significantly better diagnostic accuracy as assessed by net reclassification improvement (p<0.001) and integrated discrimination improvement (p=0.04). The HALT-C model had a c-statistic of 0.60 (95%CI 0.50-0.70) in the validation cohort and was outperformed by the machine learning algorithm (p=0.047). Conclusion Machine learning algorithms improve the accuracy of risk stratifying patients with cirrhosis and can be used to accurately identify patients at high-risk for developing HCC. PMID:24169273

A collaborative framework for Distributed Privacy-Preserving Support Vector Machine learning.

PubMed

Que, Jialan; Jiang, Xiaoqian; Ohno-Machado, Lucila

2012-01-01

A Support Vector Machine (SVM) is a popular tool for decision support. The traditional way to build an SVM model is to estimate parameters based on a centralized repository of data. However, in the field of biomedicine, patient data are sometimes stored in local repositories or institutions where they were collected, and may not be easily shared due to privacy concerns. This creates a substantial barrier for researchers to effectively learn from the distributed data using machine learning tools like SVMs. To overcome this difficulty and promote efficient information exchange without sharing sensitive raw data, we developed a Distributed Privacy Preserving Support Vector Machine (DPP-SVM). The DPP-SVM enables privacy-preserving collaborative learning, in which a trusted server integrates "privacy-insensitive" intermediary results. The globally learned model is guaranteed to be exactly the same as learned from combined data. We also provide a free web-service (http://privacy.ucsd.edu:8080/ppsvm/) for multiple participants to collaborate and complete the SVM-learning task in an efficient and privacy-preserving manner.