scholarly journals Delfos: deep learning model for prediction of solvation free energies in generic organic solvents

2019 ◽  
Vol 10 (36) ◽  
pp. 8306-8315 ◽  
Author(s):  
Hyuntae Lim ◽  
YounJoon Jung
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Organic Solvents ◽  
Learning Model ◽  
Free Energies ◽  
Organic Solutions ◽  
Solvation Free Energies ◽  
Deep Learning Model

We introduce Delfos, a novel, machine-learning-based QSPR method which predicts solvation free energies for generic organic solutions.

scholarly journals Non-invasive cuff-less blood pressure estimation using a hybrid deep learning model

2021 ◽  
Vol 53 (2) ◽  
Author(s):  
Sen Yang ◽  
Yaping Zhang ◽  
Siu-Yeung Cho ◽  
Ricardo Correia ◽  
Stephen P. Morgan
Keyword(s):  
Machine Learning ◽  
Blood Pressure ◽  
Deep Learning ◽  
Absolute Error ◽  
Learning Model ◽  
Physiological Measurement ◽  
British Hypertension Society ◽  
Non Invasive ◽  
Blood Pressure Estimation ◽  
Deep Learning Model

AbstractConventional blood pressure (BP) measurement methods have different drawbacks such as being invasive, cuff-based or requiring manual operations. There is significant interest in the development of non-invasive, cuff-less and continual BP measurement based on physiological measurement. However, in these methods, extracting features from signals is challenging in the presence of noise or signal distortion. When using machine learning, errors in feature extraction result in errors in BP estimation, therefore, this study explores the use of raw signals as a direct input to a deep learning model. To enable comparison with the traditional machine learning models which use features from the photoplethysmogram and electrocardiogram, a hybrid deep learning model that utilises both raw signals and physical characteristics (age, height, weight and gender) is developed. This hybrid model performs best in terms of both diastolic BP (DBP) and systolic BP (SBP) with the mean absolute error being 3.23 ± 4.75 mmHg and 4.43 ± 6.09 mmHg respectively. DBP and SBP meet the Grade A and Grade B performance requirements of the British Hypertension Society respectively.

scholarly journals Semantic segmentation of PolSAR image data using advanced deep learning model

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Rajat Garg ◽  
Anil Kumar ◽  
Nikunj Bansal ◽  
Manish Prateek ◽  
Shashi Kumar
Keyword(s):  
Machine Learning ◽  
Remote Sensing ◽  
Deep Learning ◽  
Urban Area ◽  
Urban Areas ◽  
Learning Algorithms ◽  
Semantic Segmentation ◽  
Learning Model ◽  
Machine Learning Algorithms ◽  
Deep Learning Model

AbstractUrban area mapping is an important application of remote sensing which aims at both estimation and change in land cover under the urban area. A major challenge being faced while analyzing Synthetic Aperture Radar (SAR) based remote sensing data is that there is a lot of similarity between highly vegetated urban areas and oriented urban targets with that of actual vegetation. This similarity between some urban areas and vegetation leads to misclassification of the urban area into forest cover. The present work is a precursor study for the dual-frequency L and S-band NASA-ISRO Synthetic Aperture Radar (NISAR) mission and aims at minimizing the misclassification of such highly vegetated and oriented urban targets into vegetation class with the help of deep learning. In this study, three machine learning algorithms Random Forest (RF), K-Nearest Neighbour (KNN), and Support Vector Machine (SVM) have been implemented along with a deep learning model DeepLabv3+ for semantic segmentation of Polarimetric SAR (PolSAR) data. It is a general perception that a large dataset is required for the successful implementation of any deep learning model but in the field of SAR based remote sensing, a major issue is the unavailability of a large benchmark labeled dataset for the implementation of deep learning algorithms from scratch. In current work, it has been shown that a pre-trained deep learning model DeepLabv3+ outperforms the machine learning algorithms for land use and land cover (LULC) classification task even with a small dataset using transfer learning. The highest pixel accuracy of 87.78% and overall pixel accuracy of 85.65% have been achieved with DeepLabv3+ and Random Forest performs best among the machine learning algorithms with overall pixel accuracy of 77.91% while SVM and KNN trail with an overall accuracy of 77.01% and 76.47% respectively. The highest precision of 0.9228 is recorded for the urban class for semantic segmentation task with DeepLabv3+ while machine learning algorithms SVM and RF gave comparable results with a precision of 0.8977 and 0.8958 respectively.

scholarly journals A Hybrid Prognostics Deep Learning Model for Remaining Useful Life Prediction

Electronics ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 39
Author(s):  
Zhiyuan Xie ◽  
Shichang Du ◽  
Jun Lv ◽  
Yafei Deng ◽  
Shiyao Jia
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Learning Model ◽  
Recurrent Network ◽  
Remaining Useful Life ◽  
Support Vector ◽  
Second Phase ◽  
Learning Methods ◽  
Useful Life ◽  
Deep Learning Model

Remaining Useful Life (RUL) prediction is significant in indicating the health status of the sophisticated equipment, and it requires historical data because of its complexity. The number and complexity of such environmental parameters as vibration and temperature can cause non-linear states of data, making prediction tremendously difficult. Conventional machine learning models such as support vector machine (SVM), random forest, and back propagation neural network (BPNN), however, have limited capacity to predict accurately. In this paper, a two-phase deep-learning-model attention-convolutional forget-gate recurrent network (AM-ConvFGRNET) for RUL prediction is proposed. The first phase, forget-gate convolutional recurrent network (ConvFGRNET) is proposed based on a one-dimensional analog long short-term memory (LSTM), which removes all the gates except the forget gate and uses chrono-initialized biases. The second phase is the attention mechanism, which ensures the model to extract more specific features for generating an output, compensating the drawbacks of the FGRNET that it is a black box model and improving the interpretability. The performance and effectiveness of AM-ConvFGRNET for RUL prediction is validated by comparing it with other machine learning methods and deep learning methods on the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) dataset and a dataset of ball screw experiment.

Deep Learning for the Automated Classification of Functional Brain Networks in fMRI (Preprint)

2021 ◽  
Author(s):  
Lukman Ismael ◽  
Pejman Rasti ◽  
Florian Bernard ◽  
Philippe Menei ◽  
Aram Ter Minassian ◽  
...  
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Learning Algorithms ◽  
Brain Networks ◽  
Learning Model ◽  
Machine Learning Algorithms ◽  
Functional Networks ◽  
Functional Brain ◽  
Functional Brain Networks ◽  
Deep Learning Model

BACKGROUND The functional MRI (fMRI) is an essential tool for the presurgical planning of brain tumor removal, allowing the identification of functional brain networks in order to preserve the patient’s neurological functions. One fMRI technique used to identify the functional brain network is the resting-state-fMRI (rsfMRI). However, this technique is not routinely used because of the necessity to have a expert reviewer to identify manually each functional networks. OBJECTIVE We aimed to automatize the detection of brain functional networks in rsfMRI data using deep learning and machine learning algorithms METHODS We used the rsfMRI data of 82 healthy patients to test the diagnostic performance of our proposed end-to-end deep learning model to the reference functional networks identified manually by 2 expert reviewers. RESULTS Experiment results show the best performance of 86% correct recognition rate obtained from the proposed deep learning architecture which shows its superiority over other machine learning algorithms that were equally tested for this classification task. CONCLUSIONS The proposed end-to-end deep learning model was the most performant machine learning algorithm. The use of this model to automatize the functional networks detection in rsfMRI may allow to broaden the use of the rsfMRI, allowing the presurgical identification of these networks and thus help to preserve the patient’s neurological status. CLINICALTRIAL Comité de protection des personnes Ouest II, decision reference CPP 2012-25)

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 Case Study of Deep Learning Model of Temperature-Induced Deflection of a Cable-Stayed Bridge Driven by Data Knowledge

Symmetry ◽  
2021 ◽  
Vol 13 (12) ◽  
pp. 2293
Author(s):  
Zixiang Yue ◽  
Youliang Ding ◽  
Hanwei Zhao ◽  
Zhiwen Wang
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Deep Learning ◽  
Prior Knowledge ◽  
Learning Model ◽  
Bridge Management ◽  
Learning Network ◽  
Cable Stayed Bridge ◽  
Main Girder ◽  
Deep Learning Model

A cable-stayed bridge is a typical symmetrical structure, and symmetry affects the deformation characteristics of such bridges. The main girder of a cable-stayed bridge will produce obvious deflection under the inducement of temperature. The regression model of temperature-induced deflection is hoped to provide a comparison value for bridge evaluation. Based on the temperature and deflection data obtained by the health monitoring system of a bridge, establishing the correlation model between temperature and temperature-induced deflection is meaningful. It is difficult to complete a high-quality model only by the girder temperature. The temperature features based on prior knowledge from the mechanical mechanism are used as the input information in this paper. At the same time, to strengthen the nonlinear ability of the model, this paper selects an independent recurrent neural network (IndRNN) for modeling. The deep learning neural network is compared with machine learning neural networks to prove the advancement of deep learning. When only the average temperature of the main girder is input, the calculation accuracy is not high regardless of whether the deep learning network or the machine learning network is used. When the temperature information extracted by the prior knowledge is input, the average error of IndRNN model is only 2.53%, less than those of BPNN model and traditional RNN. Combining knowledge with deep learning is undoubtedly the best modeling scheme. The deep learning model can provide a comparison value of bridge deformation for bridge management.

scholarly journals Comparison between Deep Learning and Tree-Based Machine Learning Approaches for Landslide Susceptibility Mapping

Water ◽  
2021 ◽  
Vol 13 (19) ◽  
pp. 2664
Author(s):  
Sunil Saha ◽  
Jagabandhu Roy ◽  
Tusar Kanti Hembram ◽  
Biswajeet Pradhan ◽  
Abhirup Dikshit ◽  
...  
Keyword(s):  
Neural Network ◽  
Machine Learning ◽  
Deep Learning ◽  
Landslide Susceptibility ◽  
Learning Model ◽  
Susceptibility Mapping ◽  
Landslide Susceptibility Mapping ◽  
Learning Approaches ◽  
Statistical Measures ◽  
Deep Learning Model

The efficiency of deep learning and tree-based machine learning approaches has gained immense popularity in various fields. One deep learning model viz. convolution neural network (CNN), artificial neural network (ANN) and four tree-based machine learning models, namely, alternative decision tree (ADTree), classification and regression tree (CART), functional tree and logistic model tree (LMT), were used for landslide susceptibility mapping in the East Sikkim Himalaya region of India, and the results were compared. Landslide areas were delimited and mapped as landslide inventory (LIM) after gathering information from historical records and periodic field investigations. In LIM, 91 landslides were plotted and classified into training (64 landslides) and testing (27 landslides) subsets randomly to train and validate the models. A total of 21 landslide conditioning factors (LCFs) were considered as model inputs, and the results of each model were categorised under five susceptibility classes. The receiver operating characteristics curve and 21 statistical measures were used to evaluate and prioritise the models. The CNN deep learning model achieved the priority rank 1 with area under the curve of 0.918 and 0.933 by using the training and testing data, quantifying 23.02% and 14.40% area as very high and highly susceptible followed by ANN, ADtree, CART, FTree and LMT models. This research might be useful in landslide studies, especially in locations with comparable geophysical and climatological characteristics, to aid in decision making for land use planning.

scholarly journals Advanced Deep Learning Model

2021 ◽  
Author(s):  
Yew Kee Wong
Keyword(s):  
Artificial Intelligence ◽  
Machine Learning ◽  
Decision Making ◽  
Deep Learning ◽  
Learning Algorithms ◽  
Learning Model ◽  
Intelligence Analysis ◽  
Basic Parameters ◽  
Deep Learning Model ◽  
Learning Sets

Deep learning is a type of machine learning that trains a computer to perform human-like tasks, such as recognizing speech, identifying images or making predictions. Instead of organizing data to run through predefined equations, deep learning sets up basic parameters about the data and trains the computer to learn on its own by recognizing patterns using many layers of processing. This paper aims to illustrate some of the different deep learning algorithms and methods which can be applied to artificial intelligence analysis, as well as the opportunities provided by the application in various decision making domains.

scholarly journals Content Noise Detection Model Using Deep Learning in Web Forums

2020 ◽  
Vol 12 (12) ◽  
pp. 5074
Author(s):  
Jiyoung Woo ◽  
Jaeseok Yun
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Learning Model ◽  
Detection Model ◽  
Proposed Model ◽  
Web Forum ◽  
Web Forums ◽  
Conventional Machine ◽  
Text Features ◽  
Deep Learning Model

Spam posts in web forum discussions cause user inconvenience and lower the value of the web forum as an open source of user opinion. In this regard, as the importance of a web post is evaluated in terms of the number of involved authors, noise distorts the analysis results by adding unnecessary data to the opinion analysis. Here, in this work, an automatic detection model for spam posts in web forums using both conventional machine learning and deep learning is proposed. To automatically differentiate between normal posts and spam, evaluators were asked to recognize spam posts in advance. To construct the machine learning-based model, text features from posted content using text mining techniques from the perspective of linguistics were extracted, and supervised learning was performed to distinguish content noise from normal posts. For the deep learning model, raw text including and excluding special characters was utilized. A comparison analysis on deep neural networks using the two different recurrent neural network (RNN) models of the simple RNN and long short-term memory (LSTM) network was also performed. Furthermore, the proposed model was applied to two web forums. The experimental results indicate that the deep learning model affords significant improvements over the accuracy of conventional machine learning associated with text features. The accuracy of the proposed model using LSTM reaches 98.56%, and the precision and recall of the noise class reach 99% and 99.53%, respectively.

Screening patents of ICT in construction using deep learning and NLP techniques

2020 ◽  
Vol 27 (8) ◽  
pp. 1891-1912
Author(s):  
Hengqin Wu ◽  
Geoffrey Shen ◽  
Xue Lin ◽  
Minglei Li ◽  
Boyu Zhang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Fundamental Problem ◽  
The United States ◽  
Learning Model ◽  
Content Type ◽  
Patent Retrieval ◽  
Part Of Speech ◽  
Textual Data ◽  
Deep Learning Model

PurposeThis study proposes an approach to solve the fundamental problem in using query-based methods (i.e. searching engines and patent retrieval tools) to screen patents of information and communication technology in construction (ICTC). The fundamental problem is that ICTC incorporates various techniques and thus cannot be simply represented by man-made queries. To investigate this concern, this study develops a binary classifier by utilizing deep learning and NLP techniques to automatically identify whether a patent is relevant to ICTC, thus accurately screening a corpus of ICTC patents.Design/methodology/approachThis study employs NLP techniques to convert the textual data of patents into numerical vectors. Then, a supervised deep learning model is developed to learn the relations between the input vectors and outputs.FindingsThe validation results indicate that (1) the proposed approach has a better performance in screening ICTC patents than traditional machine learning methods; (2) besides the United States Patent and Trademark Office (USPTO) that provides structured and well-written patents, the approach could also accurately screen patents form Derwent Innovations Index (DIX), in which patents are written in different genres.Practical implicationsThis study contributes a specific collection for ICTC patents, which is not provided by the patent offices.Social implicationsThe proposed approach contributes an alternative manner in gathering a corpus of patents for domains like ICTC that neither exists as a searchable classification in patent offices, nor is accurately represented by man-made queries.Originality/valueA deep learning model with two layers of neurons is developed to learn the non-linear relations between the input features and outputs providing better performance than traditional machine learning models. This study uses advanced NLP techniques lemmatization and part-of-speech POS to process textual data of ICTC patents. This study contributes specific collection for ICTC patents which is not provided by the patent offices.

Sign in / Sign up

Export Citation Format

Share Document