scholarly journals Data Quality Measures and Efficient Evaluation Algorithms for Large-Scale High-Dimensional Data

2021 ◽  
Vol 11 (2) ◽  
pp. 472
Author(s):  
Hyeongmin Cho ◽  
Sangkyun Lee
Keyword(s):  
Machine Learning ◽  
Data Quality ◽  
Large Scale ◽  
High Dimensional Data ◽  
Quality Measures ◽  
Training Data ◽  
Measure Data ◽  
High Dimensional ◽  
Small Scale ◽  
Class Separability

Machine learning has been proven to be effective in various application areas, such as object and speech recognition on mobile systems. Since a critical key to machine learning success is the availability of large training data, many datasets are being disclosed and published online. From a data consumer or manager point of view, measuring data quality is an important first step in the learning process. We need to determine which datasets to use, update, and maintain. However, not many practical ways to measure data quality are available today, especially when it comes to large-scale high-dimensional data, such as images and videos. This paper proposes two data quality measures that can compute class separability and in-class variability, the two important aspects of data quality, for a given dataset. Classical data quality measures tend to focus only on class separability; however, we suggest that in-class variability is another important data quality factor. We provide efficient algorithms to compute our quality measures based on random projections and bootstrapping with statistical benefits on large-scale high-dimensional data. In experiments, we show that our measures are compatible with classical measures on small-scale data and can be computed much more efficiently on large-scale high-dimensional datasets.

Detecting Pressure Anomalies While Drilling Using a Machine Learning Hybrid Approach

2021 ◽  
Author(s):  
Aurore Lafond ◽  
Maurice Ringer ◽  
Florian Le Blay ◽  
Jiaxu Liu ◽  
Ekaterina Millan ◽  
...  
Keyword(s):  
Machine Learning ◽  
Data Quality ◽  
Real Time ◽  
Large Scale ◽  
Hybrid Approach ◽  
Physical Models ◽  
Training Data ◽  
Digital Data ◽  
Machine Learning Techniques ◽  
New System

Abstract Abnormal surface pressure is typically the first indicator of a number of problematic events, including kicks, losses, washouts and stuck pipe. These events account for 60–70% of all drilling-related nonproductive time, so their early and accurate detection has the potential to save the industry billions of dollars. Detecting these events today requires an expert user watching multiple curves, which can be costly, and subject to human errors. The solution presented in this paper is aiming at augmenting traditional models with new machine learning techniques, which enable to detect these events automatically and help the monitoring of the drilling well. Today’s real-time monitoring systems employ complex physical models to estimate surface standpipe pressure while drilling. These require many inputs and are difficult to calibrate. Machine learning is an alternative method to predict pump pressure, but this alone needs significant labelled training data, which is often lacking in the drilling world. The new system combines these approaches: a machine learning framework is used to enable automated learning while the physical models work to compensate any gaps in the training data. The system uses only standard surface measurements, is fully automated, and is continuously retrained while drilling to ensure the most accurate pressure prediction. In addition, a stochastic (Bayesian) machine learning technique is used, which enables not only a prediction of the pressure, but also the uncertainty and confidence of this prediction. Last, the new system includes a data quality control workflow. It discards periods of low data quality for the pressure anomaly detection and enables to have a smarter real-time events analysis. The new system has been tested on historical wells using a new test and validation framework. The framework runs the system automatically on large volumes of both historical and simulated data, to enable cross-referencing the results with observations. In this paper, we show the results of the automated test framework as well as the capabilities of the new system in two specific case studies, one on land and another offshore. Moreover, large scale statistics enlighten the reliability and the efficiency of this new detection workflow. The new system builds on the trend in our industry to better capture and utilize digital data for optimizing drilling.

Feature selection using autoencoders with Bayesian methods to high-dimensional data

2021 ◽  
pp. 1-10
Author(s):  
Lei Shu ◽  
Kun Huang ◽  
Wenhao Jiang ◽  
Wenming Wu ◽  
Hongling Liu
Keyword(s):  
Machine Learning ◽  
Feature Selection ◽  
Bayesian Methods ◽  
Large Scale ◽  
High Dimensional Data ◽  
Hybrid Approach ◽  
High Dimensional ◽  
Real World Data ◽  
Learning Tasks ◽  
Low Dimensional

It is easy to lead to poor generalization in machine learning tasks using real-world data directly, since such data is usually high-dimensional dimensionality and limited. Through learning the low dimensional representations of high-dimensional data, feature selection can retain useful features for machine learning tasks. Using these useful features effectively trains machine learning models. Hence, it is a challenge for feature selection from high-dimensional data. To address this issue, in this paper, a hybrid approach consisted of an autoencoder and Bayesian methods is proposed for a novel feature selection. Firstly, Bayesian methods are embedded in the proposed autoencoder as a special hidden layer. This of doing is to increase the precision during selecting non-redundant features. Then, the other hidden layers of the autoencoder are used for non-redundant feature selection. Finally, compared with the mainstream approaches for feature selection, the proposed method outperforms them. We find that the way consisted of autoencoders and probabilistic correction methods is more meaningful than that of stacking architectures or adding constraints to autoencoders as regards feature selection. We also demonstrate that stacked autoencoders are more suitable for large-scale feature selection, however, sparse autoencoders are beneficial for a smaller number of feature selection. We indicate that the value of the proposed method provides a theoretical reference to analyze the optimality of feature selection.

A Fast Clustering Algorithm for Large-scale and High Dimensional Data

2009 ◽  
Vol 35 (7) ◽  
pp. 859-866
Author(s):  
Ming LIU ◽  
Xiao-Long WANG ◽  
Yuan-Chao LIU
Keyword(s):  
Large Scale ◽  
Clustering Algorithm ◽  
High Dimensional Data ◽  
High Dimensional

57 Precision neoantigen discovery using novel algorithms and expanded HLA-ligandome datasets

2020 ◽  
Vol 8 (Suppl 3) ◽  
pp. A62-A62
Author(s):  
Dattatreya Mellacheruvu ◽  
Rachel Pyke ◽  
Charles Abbott ◽  
Nick Phillips ◽  
Sejal Desai ◽  
...  
Keyword(s):  
Machine Learning ◽  
Cell Lines ◽  
Antigen Processing ◽  
Large Scale ◽  
Prediction Models ◽  
K562 Cells ◽  
Machine Learning Algorithms ◽  
Training Data ◽  
High Quality ◽  
Tissue Samples

BackgroundAccurately identified neoantigens can be effective therapeutic agents in both adjuvant and neoadjuvant settings. A key challenge for neoantigen discovery has been the availability of accurate prediction models for MHC peptide presentation. We have shown previously that our proprietary model based on (i) large-scale, in-house mono-allelic data, (ii) custom features that model antigen processing, and (iii) advanced machine learning algorithms has strong performance. We have extended upon our work by systematically integrating large quantities of high-quality, publicly available data, implementing new modelling algorithms, and rigorously testing our models. These extensions lead to substantial improvements in performance and generalizability. Our algorithm, named Systematic HLA Epitope Ranking Pan Algorithm (SHERPA™), is integrated into the ImmunoID NeXT Platform®, our immuno-genomics and transcriptomics platform specifically designed to enable the development of immunotherapies.MethodsIn-house immunopeptidomic data was generated using stably transfected HLA-null K562 cells lines that express a single HLA allele of interest, followed by immunoprecipitation using W6/32 antibody and LC-MS/MS. Public immunopeptidomics data was downloaded from repositories such as MassIVE and processed uniformly using in-house pipelines to generate peptide lists filtered at 1% false discovery rate. Other metrics (features) were either extracted from source data or generated internally by re-processing samples utilizing the ImmunoID NeXT Platform.ResultsWe have generated large-scale and high-quality immunopeptidomics data by using approximately 60 mono-allelic cell lines that unambiguously assign peptides to their presenting alleles to create our primary models. Briefly, our primary ‘binding’ algorithm models MHC-peptide binding using peptide and binding pockets while our primary ‘presentation’ model uses additional features to model antigen processing and presentation. Both primary models have significantly higher precision across all recall values in multiple test data sets, including mono-allelic cell lines and multi-allelic tissue samples. To further improve the performance of our model, we expanded the diversity of our training set using high-quality, publicly available mono-allelic immunopeptidomics data. Furthermore, multi-allelic data was integrated by resolving peptide-to-allele mappings using our primary models. We then trained a new model using the expanded training data and a new composite machine learning architecture. The resulting secondary model further improves performance and generalizability across several tissue samples.ConclusionsImproving technologies for neoantigen discovery is critical for many therapeutic applications, including personalized neoantigen vaccines, and neoantigen-based biomarkers for immunotherapies. Our new and improved algorithm (SHERPA) has significantly higher performance compared to a state-of-the-art public algorithm and furthers this objective.

scholarly journals Parallel Framework for Dimensionality Reduction of Large-Scale Datasets

2015 ◽  
Vol 2015 ◽  
pp. 1-12 ◽  
Author(s):  
Sai Kiranmayee Samudrala ◽  
Jaroslaw Zola ◽  
Srinivas Aluru ◽  
Baskar Ganapathysubramanian
Keyword(s):  
Dimensionality Reduction ◽  
Organic Solar Cells ◽  
Large Scale ◽  
Parallel Implementation ◽  
High Dimensional Data ◽  
Real Life ◽  
Processing Parameters ◽  
High Dimensional ◽  
Morphology Evolution ◽  
Reduction Techniques

Dimensionality reduction refers to a set of mathematical techniques used to reduce complexity of the original high-dimensional data, while preserving its selected properties. Improvements in simulation strategies and experimental data collection methods are resulting in a deluge of heterogeneous and high-dimensional data, which often makes dimensionality reduction the only viable way to gain qualitative and quantitative understanding of the data. However, existing dimensionality reduction software often does not scale to datasets arising in real-life applications, which may consist of thousands of points with millions of dimensions. In this paper, we propose a parallel framework for dimensionality reduction of large-scale data. We identify key components underlying the spectral dimensionality reduction techniques, and propose their efficient parallel implementation. We show that the resulting framework can be used to process datasets consisting of millions of points when executed on a 16,000-core cluster, which is beyond the reach of currently available methods. To further demonstrate applicability of our framework we perform dimensionality reduction of 75,000 images representing morphology evolution during manufacturing of organic solar cells in order to identify how processing parameters affect morphology evolution.

scholarly journals Scalable hierarchical clustering by composition rank vector encoding and tree structure

2020 ◽  
Author(s):  
Xiao Lai ◽  
Pu Tian
Keyword(s):  
Machine Learning ◽  
Hierarchical Clustering ◽  
Clustering Algorithm ◽  
High Dimensional Data ◽  
Machine Learning Algorithms ◽  
Tree Structure ◽  
Supervised Machine Learning ◽  
High Dimensional ◽  
Rank Vector ◽  
Nonlinear Correlations

AbstractSupervised machine learning, especially deep learning based on a wide variety of neural network architectures, have contributed tremendously to fields such as marketing, computer vision and natural language processing. However, development of un-supervised machine learning algorithms has been a bottleneck of artificial intelligence. Clustering is a fundamental unsupervised task in many different subjects. Unfortunately, no present algorithm is satisfactory for clustering of high dimensional data with strong nonlinear correlations. In this work, we propose a simple and highly efficient hierarchical clustering algorithm based on encoding by composition rank vectors and tree structure, and demonstrate its utility with clustering of protein structural domains. No record comparison, which is an expensive and essential common step to all present clustering algorithms, is involved. Consequently, it achieves linear time and space computational complexity hierarchical clustering, thus applicable to arbitrarily large datasets. The key factor in this algorithm is definition of composition, which is dependent upon physical nature of target data and therefore need to be constructed case by case. Nonetheless, the algorithm is general and applicable to any high dimensional data with strong nonlinear correlations. We hope this algorithm to inspire a rich research field of encoding based clustering well beyond composition rank vector trees.

scholarly journals Opportunities and Challenges of Feature Selection Methods for High Dimensional Data: A Review

2021 ◽  
Vol 26 (1) ◽  
pp. 67-77
Author(s):  
Siva Sankari Subbiah ◽  
Jayakumar Chinnappan
Keyword(s):  
Feature Selection ◽  
Big Data ◽  
Large Scale ◽  
High Dimensional Data ◽  
Research Work ◽  
Basic Feature ◽  
High Dimensional ◽  
Selection Methods ◽  
Fast Development ◽  
Improved Accuracy

Now a day, all the organizations collecting huge volume of data without knowing its usefulness. The fast development of Internet helps the organizations to capture data in many different formats through Internet of Things (IoT), social media and from other disparate sources. The dimension of the dataset increases day by day at an extraordinary rate resulting in large scale dataset with high dimensionality. The present paper reviews the opportunities and challenges of feature selection for processing the high dimensional data with reduced complexity and improved accuracy. In the modern big data world the feature selection has a significance in reducing the dimensionality and overfitting of the learning process. Many feature selection methods have been proposed by researchers for obtaining more relevant features especially from the big datasets that helps to provide accurate learning results without degradation in performance. This paper discusses the importance of feature selection, basic feature selection approaches, centralized and distributed big data processing using Hadoop and Spark, challenges of feature selection and provides the summary of the related research work done by various researchers. As a result, the big data analysis with the feature selection improves the accuracy of the learning.

scholarly journals A Physics-Infused Deep Learning Model for the Prediction of Refractive Indices and Its Use for the Large-Scale Screening of Organic Compound Space

2019 ◽  
Author(s):  
Mojtaba Haghighatlari ◽  
Gaurav Vishwakarma ◽  
Mohammad Atif Faiz Afzal ◽  
Johannes Hachmann
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Large Scale ◽  
Organic Molecules ◽  
Learning Model ◽  
Training Data ◽  
Refractive Indices ◽  
Learning Models ◽  
Deep Learning Model ◽  
Machine Learning Models

<div><div><div><p>We present a multitask, physics-infused deep learning model to accurately and efficiently predict refractive indices (RIs) of organic molecules, and we apply it to a library of 1.5 million compounds. We show that it outperforms earlier machine learning models by a significant margin, and that incorporating known physics into data-derived models provides valuable guardrails. Using a transfer learning approach, we augment the model to reproduce results consistent with higher-level computational chemistry training data, but with a considerably reduced number of corresponding calculations. Prediction errors of machine learning models are typically smallest for commonly observed target property values, consistent with the distribution of the training data. However, since our goal is to identify candidates with unusually large RI values, we propose a strategy to boost the performance of our model in the remoter areas of the RI distribution: We bias the model with respect to the under-represented classes of molecules that have values in the high-RI regime. By adopting a metric popular in web search engines, we evaluate our effectiveness in ranking top candidates. We confirm that the models developed in this study can reliably predict the RIs of the top 1,000 compounds, and are thus able to capture their ranking. We believe that this is the first study to develop a data-derived model that ensures the reliability of RI predictions by model augmentation in the extrapolation region on such a large scale. These results underscore the tremendous potential of machine learning in facilitating molecular (hyper)screening approaches on a massive scale and in accelerating the discovery of new compounds and materials, such as organic molecules with high-RI for applications in opto-electronics.</p></div></div></div>

scholarly journals Automatic detection of Long Method and God Class code smells through neural source code embeddings

2021 ◽  
Author(s):  
Aleksandar Kovačević ◽  
Jelena Slivka ◽  
Dragan Vidaković ◽  
Katarina-Glorija Grujić ◽  
Nikola Luburić ◽  
...  
Keyword(s):  
Machine Learning ◽  
Large Scale ◽  
Negative Impact ◽  
Source Code ◽  
Systematic Evaluation ◽  
Small Scale ◽  
Code Smells ◽  
Code Metrics ◽  
Code Smell ◽  
F Measure

<p>Code smells are structures in code that often have a negative impact on its quality. Manually detecting code smells is challenging and researchers proposed many automatic code smell detectors. Most of the studies propose detectors based on code metrics and heuristics. However, these studies have several limitations, including evaluating the detectors using small-scale case studies and an inconsistent experimental setting. Furthermore, heuristic-based detectors suffer from limitations that hinder their adoption in practice. Thus, researchers have recently started experimenting with machine learning (ML) based code smell detection. </p><p>This paper compares the performance of multiple ML-based code smell detection models against multiple traditionally employed metric-based heuristics for detection of God Class and Long Method code smells. We evaluate the effectiveness of different source code representations for machine learning: traditionally used code metrics and code embeddings (code2vec, code2seq, and CuBERT).<br></p><p>We perform our experiments on the large-scale, manually labeled MLCQ dataset. We consider the binary classification problem – we classify the code samples as smelly or non-smelly and use the F1-measure of the minority (smell) class as a measure of performance. In our experiments, the ML classifier trained using CuBERT source code embeddings achieved the best performance for both God Class (F-measure of 0.53) and Long Method detection (F-measure of 0.75). With the help of a domain expert, we perform the error analysis to discuss the advantages of the CuBERT approach.<br></p><p>This study is the first to evaluate the effectiveness of pre-trained neural source code embeddings for code smell detection to the best of our knowledge. A secondary contribution of our study is the systematic evaluation of the effectiveness of multiple heuristic-based approaches on the same large-scale, manually labeled MLCQ dataset.<br></p>

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