Systematic Review of Deep Learning and Machine Learning Models in Biofuels Research

2020 ◽  
pp. 19-32 ◽  
Author(s):  
Sina Ardabili ◽  
Amir Mosavi ◽  
Annamária R. Várkonyi-Kóczy
Keyword(s):  
Machine Learning ◽  
Systematic Review ◽  
Deep Learning ◽  
Learning Models ◽  
Machine Learning Models

scholarly journals Systematic Review of Deep Learning and Machine Learning Models in Biofuels Research

2019 ◽  
Author(s):  
Sina Faizollahzadeh Ardabili ◽  
Amir Mosavi ◽  
Annamária R. Várkonyi-Kóczy
Keyword(s):  
Machine Learning ◽  
Systematic Review ◽  
Deep Learning ◽  
Environmental Impacts ◽  
Energy Systems ◽  
Liquid Fuels ◽  
Electricity Production ◽  
Learning Models ◽  
The World ◽  
Machine Learning Models

Biofuels construct an essential pillar of energy systems. Biofuels are considered as a popular resource for electricity production, heating, household, and industrial usage, liquid fuels, and mobility around the world. Thus, the need for handling, modeling, decision-making, demand, and forecasting for biofuels are of utmost importance. Recently, machine learning (ML) and deep learning (DL) techniques have been accessible in modeling, optimizing, and handling biofuels production, consumption, and environmental impacts. The main aim of this study is to review and evaluate ML and DL techniques and their applications in handling biofuels production, consumption, and environmental impacts, both for modeling and optimization purposes. Hybrid and ensemble ML methods, as well as DL methods, have found to provide higher performance and accuracy in modeling the biofuels.

scholarly journals Machine Learning-Based Malicious X.509 Certificates’ Detection

2021 ◽  
Vol 11 (5) ◽  
pp. 2164
Author(s):  
Jiaxin Li ◽  
Zhaoxin Zhang ◽  
Changyong Guo
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Ensemble Learning ◽  
Traffic Analysis ◽  
Learning Models ◽  
Detection Model ◽  
Analysis Tools ◽  
Average Accuracy ◽  
Machine Learning Models

X.509 certificates play an important role in encrypting the transmission of data on both sides under HTTPS. With the popularization of X.509 certificates, more and more criminals leverage certificates to prevent their communications from being exposed by malicious traffic analysis tools. Phishing sites and malware are good examples. Those X.509 certificates found in phishing sites or malware are called malicious X.509 certificates. This paper applies different machine learning models, including classical machine learning models, ensemble learning models, and deep learning models, to distinguish between malicious certificates and benign certificates with Verification for Extraction (VFE). The VFE is a system we design and implement for obtaining plentiful characteristics of certificates. The result shows that ensemble learning models are the most stable and efficient models with an average accuracy of 95.9%, which outperforms many previous works. In addition, we obtain an SVM-based detection model with an accuracy of 98.2%, which is the highest accuracy. The outcome indicates the VFE is capable of capturing essential and crucial characteristics of malicious X.509 certificates.

Systematic Review of Machine Learning Models for Personalised Dosing of Heparin

2021 ◽  
Author(s):  
Nazanin Falconer ◽  
Ahmad Abdel‐Hafez ◽  
Ian A. Scott ◽  
Sven Marxen ◽  
Stephen Canaris ◽  
...  
Keyword(s):  
Machine Learning ◽  
Systematic Review ◽  
Learning Models ◽  
Machine Learning Models

Machine Learning-based Prediction Models for Diagnosis and Prognosis in Inflammatory Bowel Diseases: A Systematic Review

2021 ◽  
Author(s):  
Nghia H Nguyen ◽  
Dominic Picetti ◽  
Parambir S Dulai ◽  
Vipul Jairath ◽  
William J Sandborn ◽  
...  
Keyword(s):  
Machine Learning ◽  
Systematic Review ◽  
Risk Prediction ◽  
Statistical Models ◽  
Prediction Models ◽  
Risk Of Bias ◽  
Learning Models ◽  
Bowel Diseases ◽  
Inflammatory Bowel ◽  
Machine Learning Models

Abstract Background and Aims There is increasing interest in machine learning-based prediction models in inflammatory bowel diseases (IBD). We synthesized and critically appraised studies comparing machine learning vs. traditional statistical models, using routinely available clinical data for risk prediction in IBD. Methods Through a systematic review till January 1, 2021, we identified cohort studies that derived and/or validated machine learning models, based on routinely collected clinical data in patients with IBD, to predict the risk of harboring or developing adverse clinical outcomes, and reported its predictive performance against a traditional statistical model for the same outcome. We appraised the risk of bias in these studies using the Prediction model Risk of Bias ASsessment (PROBAST) tool. Results We included 13 studies on machine learning-based prediction models in IBD encompassing themes of predicting treatment response to biologics and thiopurines, predicting longitudinal disease activity and complications and outcomes in patients with acute severe ulcerative colitis. The most common machine learnings models used were tree-based algorithms, which are classification approaches achieved through supervised learning. Machine learning models outperformed traditional statistical models in risk prediction. However, most models were at high risk of bias, and only one was externally validated. Conclusions Machine learning-based prediction models based on routinely collected data generally perform better than traditional statistical models in risk prediction in IBD, though frequently have high risk of bias. Future studies examining these approaches are warranted, with special focus on external validation and clinical applicability.

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 Application of Bioactivity Profile Based Fingerprints for Building Machine Learning Models

2018 ◽  
Author(s):  
Noé Sturm ◽  
Jiangming Sun ◽  
Yves Vandriessche ◽  
Andreas Mayr ◽  
Günter Klambauer ◽  
...  
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
High Throughput ◽  
Scaffold Hopping ◽  
Learning Models ◽  
Industrial Data ◽  
Structural Descriptors ◽  
Bioactivity Profile ◽  
Machine Learning Models

<div>This article describes an application of high-throughput fingerprints (HTSFP) built upon industrial data accumulated over the years. </div><div>The fingerprint was used to build machine learning models (multi-task deep learning + SVM) for compound activity predictions towards a panel of 131 targets. </div><div>Quality of the predictions and the scaffold hopping potential of the HTSFP were systematically compared to traditional structural descriptors ECFP. </div><div><br></div>

scholarly journals Predictive modelling of turbofan engine components condition using machine and deep learning methods

2021 ◽  
Vol 23 (2) ◽  
pp. 359-370
Author(s):  
Michał Matuszczak ◽  
Mateusz Żbikowski ◽  
Andrzej Teodorczyk
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Predictive Modelling ◽  
Continuous Variable ◽  
Environmental Data ◽  
Bayesian Optimization ◽  
Aviation Industry ◽  
Learning Models ◽  
Turbofan Engine ◽  
Machine Learning Models

The article proposes an approach based on deep and machine learning models to predict a component failure as an enhancement of condition based maintenance scheme of a turbofan engine and reviews currently used prognostics approaches in the aviation industry. Component degradation scale representing its life consumption is proposed and such collected condition data are combined with engines sensors and environmental data. With use of data manipulation techniques, a framework for models training is created and models' hyperparameters obtained through Bayesian optimization. Models predict the continuous variable representing condition based on the input. Best performed model is identified by detemining its score on the holdout set. Deep learning models achieved 0.71 MSE score (ensemble meta-model of neural networks) and outperformed significantly machine learning models with their best score at 1.75. The deep learning models shown their feasibility to predict the component condition within less than 1 unit of the error in the rank scale.

Train Deep Learning Models using subsurface geological images datasets

2021 ◽  
Author(s):  
Ramy Abdallah ◽  
Clare E. Bond ◽  
Robert W.H. Butler
Keyword(s):  
Artificial Intelligence ◽  
Machine Learning ◽  
Neural Networks ◽  
Deep Learning ◽  
Convolutional Neural Networks ◽  
Learning Models ◽  
Structural Interpretation ◽  
Performance Accuracy ◽  
Learning Techniques ◽  
Machine Learning Models

&lt;p&gt;Machine learning is being presented as a new solution for a wide range of geoscience problems. Primarily machine learning has been used for 3D seismic data processing, seismic facies analysis and well log data correlation. The rapid development in technology with open-source artificial intelligence libraries and the accessibility of affordable computer graphics processing units (GPU) makes the application of machine learning in geosciences increasingly tractable. However, the application of artificial intelligence in structural interpretation workflows of subsurface datasets is still ambiguous. This study aims to use machine learning techniques to classify images of folds and fold-thrust structures. Here we show that convolutional neural networks (CNNs) as supervised deep learning techniques provide excellent algorithms to discriminate between geological image datasets. Four different datasets of images have been used to train and test the machine learning models. These four datasets are a seismic character dataset with five classes (faults, folds, salt, flat layers and basement), folds types with three classes (buckle, chevron and conjugate), fault types with three classes (normal, reverse and thrust) and fold-thrust geometries with three classes (fault bend fold, fault propagation fold and detachment fold). These image datasets are used to investigate three machine learning models. One Feedforward linear neural network model and two convolutional neural networks models (Convolution 2d layer transforms sequential model and Residual block model (ResNet with 9, 34, and 50 layers)). Validation and testing datasets forms a critical part of testing the model&amp;#8217;s performance accuracy. The ResNet model records the highest performance accuracy score, of the machine learning models tested. Our CNN image classification model analysis provides a framework for applying machine learning to increase structural interpretation efficiency, and shows that CNN classification models can be applied effectively to geoscience problems. The study provides a starting point to apply unsupervised machine learning approaches to sub-surface structural interpretation workflows.&lt;/p&gt;

scholarly journals Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction

2020 ◽  
Vol 34 (7) ◽  
pp. 717-730 ◽  
Author(s):  
Matthew C. Robinson ◽  
Robert C. Glen ◽  
Alpha A. Lee
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Numerical Experiments ◽  
Large Scale ◽  
Operating Characteristic ◽  
Characteristic Curve ◽  
Learning Models ◽  
Bioactivity Prediction ◽  
Operating Characteristic Curve ◽  
Machine Learning Models

Abstract Machine learning methods may have the potential to significantly accelerate drug discovery. However, the increasing rate of new methodological approaches being published in the literature raises the fundamental question of how models should be benchmarked and validated. We reanalyze the data generated by a recently published large-scale comparison of machine learning models for bioactivity prediction and arrive at a somewhat different conclusion. We show that the performance of support vector machines is competitive with that of deep learning methods. Additionally, using a series of numerical experiments, we question the relevance of area under the receiver operating characteristic curve as a metric in virtual screening. We further suggest that area under the precision–recall curve should be used in conjunction with the receiver operating characteristic curve. Our numerical experiments also highlight challenges in estimating the uncertainty in model performance via scaffold-split nested cross validation.

Sign in / Sign up

Export Citation Format

Share Document