scholarly journals Deep Recurrent Neural Network for Protein Function Prediction from Sequence

2017 ◽  
Author(s):  
Xueliang Leon Liu
Keyword(s):  
Machine Learning ◽  
Protein Function ◽  
Short Term Memory ◽  
Amino Acid Sequences ◽  
Machine Learning Algorithms ◽  
Class Prediction ◽  
Iron Storage ◽  
Deep Recurrent Neural Network ◽  
Wide Range ◽  
Protein Functions

AbstractAs high-throughput biological sequencing becomes faster and cheaper, the need to extract useful information from sequencing becomes ever more paramount, often limited by low-throughput experimental characterizations. For proteins, accurate prediction of their functions directly from their primary amino-acid sequences has been a long standing challenge. Here, machine learning using artificial recurrent neural networks (RNN) was applied towards classification of protein function directly from primary sequence without sequence alignment, heuristic scoring or feature engineering. The RNN models containing long-short-term-memory (LSTM) units trained on public, annotated datasets from UniProt achieved high performance for in-class prediction of four important protein functions tested, particularly compared to other machine learning algorithms using sequence-derived protein features. RNN models were used also for out-of-class predictions of phylogenetically distinct protein families with similar functions, including proteins of the CRISPR-associated nuclease, ferritin-like iron storage and cytochrome P450 families. Applying the trained RNN models on the partially unannotated UniRef100 database predicted not only candidates validated by existing annotations but also currently unannotated sequences. Some RNN predictions for the ferritin-like iron sequestering function were experimentally validated, even though their sequences differ significantly from known, characterized proteins and from each other and cannot be easily predicted using popular bioinformatics methods. As sequencing and experimental characterization data increases rapidly, the machine-learning approach based on RNN could be useful for discovery and prediction of homologues for a wide range of protein functions.

scholarly journals Recent Advances in the Prediction of Protein Structural Classes: Feature Descriptors and Machine Learning Algorithms

Crystals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 324
Author(s):  
Lin Zhu ◽  
Mehdi D. Davari ◽  
Wenjin Li
Keyword(s):  
Machine Learning ◽  
Protein Structure ◽  
Protein Function ◽  
Learning Algorithms ◽  
Machine Learning Algorithms ◽  
Class Prediction ◽  
Structural Class ◽  
Protein Structural Class ◽  
Feature Descriptors ◽  
New Feature

In the postgenomic age, rapid growth in the number of sequence-known proteins has been accompanied by much slower growth in the number of structure-known proteins (as a result of experimental limitations), and a widening gap between the two is evident. Because protein function is linked to protein structure, successful prediction of protein structure is of significant importance in protein function identification. Foreknowledge of protein structural class can help improve protein structure prediction with significant medical and pharmaceutical implications. Thus, a fast, suitable, reliable, and reasonable computational method for protein structural class prediction has become pivotal in bioinformatics. Here, we review recent efforts in protein structural class prediction from protein sequence, with particular attention paid to new feature descriptors, which extract information from protein sequence, and the use of machine learning algorithms in both feature selection and the construction of new classification models. These new feature descriptors include amino acid composition, sequence order, physicochemical properties, multiprofile Bayes, and secondary structure-based features. Machine learning methods, such as artificial neural networks (ANNs), support vector machine (SVM), K-nearest neighbor (KNN), random forest, deep learning, and examples of their application are discussed in detail. We also present our view on possible future directions, challenges, and opportunities for the applications of machine learning algorithms for prediction of protein structural classes.

Using Machine Learning Algorithms on Prediction of Stock Price

2020 ◽  
Vol 12 (2) ◽  
pp. 84-99
Author(s):  
Li-Pang Chen
Keyword(s):  
Machine Learning ◽  
Stock Price ◽  
Short Term Memory ◽  
Machine Learning Algorithms ◽  
Machine Learning Techniques ◽  
Support Vector ◽  
Short Term ◽  
Learning Techniques ◽  
Historical Database ◽  
Long Short Term Memory

In this paper, we investigate analysis and prediction of the time-dependent data. We focus our attention on four different stocks are selected from Yahoo Finance historical database. To build up models and predict the future stock price, we consider three different machine learning techniques including Long Short-Term Memory (LSTM), Convolutional Neural Networks (CNN) and Support Vector Regression (SVR). By treating close price, open price, daily low, daily high, adjusted close price, and volume of trades as predictors in machine learning methods, it can be shown that the prediction accuracy is improved.

Derivation of Respiratory Metrics in Health and Asthma; Machine Learning Methodology (Preprint)

2020 ◽  
Author(s):  
Joseph Prinable ◽  
Peter Jones ◽  
David Boland ◽  
Alistair McEwan ◽  
Cindy Thamrin
Keyword(s):  
Machine Learning ◽  
Short Term Memory ◽  
Reference Signal ◽  
Machine Learning Algorithms ◽  
Training Dataset ◽  
Local Health ◽  
Strongly Correlated ◽  
Human Research Ethics ◽  
Expiration Time ◽  
Wide Variability

BACKGROUND The ability to continuously monitor breathing metrics may have indications for general health as well as respiratory conditions such as asthma. However, few studies have focused on breathing due to a lack of available wearable technologies. OBJECTIVE Examine the performance of two machine learning algorithms in extracting breathing metrics from a finger-based pulse oximeter, which is amenable to long-term monitoring. METHODS Pulse oximetry data was collected from 11 healthy and 11 asthma subjects who breathed at a range of controlled respiratory rates. UNET and Long Short-Term memory (LSTM) algorithms were applied to the data, and results compared against breathing metrics derived from respiratory inductance plethysmography measured simultaneously as a reference. RESULTS The UNET vs LSTM model provided breathing metrics which were strongly correlated with those from the reference signal (all p<0.001, except for inspiratory:expiratory ratio). The following relative mean bias(95% confidence interval) were observed: inspiration time 1.89(-52.95, 56.74)% vs 1.30(-52.15, 54.74)%, expiration time -3.70(-55.21, 47.80)% vs -4.97(-56.84, 46.89)%, inspiratory:expiratory ratio -4.65(-87.18, 77.88)% vs -5.30(-87.07, 76.47)%, inter-breath intervals -2.39(-32.76, 27.97)% vs -3.16(-33.69, 27.36)%, and respiratory rate 2.99(-27.04 to 33.02)% vs 3.69(-27.17 to 34.56)%. CONCLUSIONS Both machine learning models show strongly correlation and good comparability with reference, with low bias though wide variability for deriving breathing metrics in asthma and health cohorts. Future efforts should focus on improvement of performance of these models, e.g. by increasing the size of the training dataset at the lower breathing rates. CLINICALTRIAL Sydney Local Health District Human Research Ethics Committee (#LNR\16\HAWKE99 ethics approval).

scholarly journals Predicting Future Occurrence of Acute Hypotensive Episodes Using Noninvasive and Invasive Features

2021 ◽  
Vol 186 (Supplement_1) ◽  
pp. 445-451
Author(s):  
Yifei Sun ◽  
Navid Rashedi ◽  
Vikrant Vaze ◽  
Parikshit Shah ◽  
Ryan Halter ◽  
...  
Keyword(s):  
Machine Learning ◽  
Support Vector Machine ◽  
Real World ◽  
Short Term Memory ◽  
Model Performance ◽  
Learning Technologies ◽  
Machine Learning Algorithms ◽  
Support Vector ◽  
K Nearest Neighbor ◽  
Continuous Map

ABSTRACT Introduction Early prediction of the acute hypotensive episode (AHE) in critically ill patients has the potential to improve outcomes. In this study, we apply different machine learning algorithms to the MIMIC III Physionet dataset, containing more than 60,000 real-world intensive care unit records, to test commonly used machine learning technologies and compare their performances. Materials and Methods Five classification methods including K-nearest neighbor, logistic regression, support vector machine, random forest, and a deep learning method called long short-term memory are applied to predict an AHE 30 minutes in advance. An analysis comparing model performance when including versus excluding invasive features was conducted. To further study the pattern of the underlying mean arterial pressure (MAP), we apply a regression method to predict the continuous MAP values using linear regression over the next 60 minutes. Results Support vector machine yields the best performance in terms of recall (84%). Including the invasive features in the classification improves the performance significantly with both recall and precision increasing by more than 20 percentage points. We were able to predict the MAP with a root mean square error (a frequently used measure of the differences between the predicted values and the observed values) of 10 mmHg 60 minutes in the future. After converting continuous MAP predictions into AHE binary predictions, we achieve a 91% recall and 68% precision. In addition to predicting AHE, the MAP predictions provide clinically useful information regarding the timing and severity of the AHE occurrence. Conclusion We were able to predict AHE with precision and recall above 80% 30 minutes in advance with the large real-world dataset. The prediction of regression model can provide a more fine-grained, interpretable signal to practitioners. Model performance is improved by the inclusion of invasive features in predicting AHE, when compared to predicting the AHE based on only the available, restricted set of noninvasive technologies. This demonstrates the importance of exploring more noninvasive technologies for AHE prediction.

scholarly journals Global soil moisture data derived through machine learning trained with in-situ measurements

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Sungmin O. ◽  
Rene Orth
Keyword(s):  
Machine Learning ◽  
Soil Moisture ◽  
Large Scale ◽  
Short Term Memory ◽  
Temporal Dynamics ◽  
Soil Moisture Data ◽  
Wide Range ◽  
Global Soil

AbstractWhile soil moisture information is essential for a wide range of hydrologic and climate applications, spatially-continuous soil moisture data is only available from satellite observations or model simulations. Here we present a global, long-term dataset of soil moisture derived through machine learning trained with in-situ measurements, SoMo.ml. We train a Long Short-Term Memory (LSTM) model to extrapolate daily soil moisture dynamics in space and in time, based on in-situ data collected from more than 1,000 stations across the globe. SoMo.ml provides multi-layer soil moisture data (0–10 cm, 10–30 cm, and 30–50 cm) at 0.25° spatial and daily temporal resolution over the period 2000–2019. The performance of the resulting dataset is evaluated through cross validation and inter-comparison with existing soil moisture datasets. SoMo.ml performs especially well in terms of temporal dynamics, making it particularly useful for applications requiring time-varying soil moisture, such as anomaly detection and memory analyses. SoMo.ml complements the existing suite of modelled and satellite-based datasets given its distinct derivation, to support large-scale hydrological, meteorological, and ecological analyses.

scholarly journals Learning chemistry: exploring the suitability of machine learning for the task of structure-based chemical ontology classification

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Janna Hastings ◽  
Martin Glauer ◽  
Adel Memariani ◽  
Fabian Neuhaus ◽  
Till Mossakowski
Keyword(s):  
Machine Learning ◽  
Logistic Regression ◽  
Short Term Memory ◽  
Chemical Space ◽  
Chemical Data ◽  
Learning Approaches ◽  
Class Prediction ◽  
Chemical Structures ◽  
Chemical Ontology ◽  
Chemical Ontologies

AbstractChemical data is increasingly openly available in databases such as PubChem, which contains approximately 110 million compound entries as of February 2021. With the availability of data at such scale, the burden has shifted to organisation, analysis and interpretation. Chemical ontologies provide structured classifications of chemical entities that can be used for navigation and filtering of the large chemical space. ChEBI is a prominent example of a chemical ontology, widely used in life science contexts. However, ChEBI is manually maintained and as such cannot easily scale to the full scope of public chemical data. There is a need for tools that are able to automatically classify chemical data into chemical ontologies, which can be framed as a hierarchical multi-class classification problem. In this paper we evaluate machine learning approaches for this task, comparing different learning frameworks including logistic regression, decision trees and long short-term memory artificial neural networks, and different encoding approaches for the chemical structures, including cheminformatics fingerprints and character-based encoding from chemical line notation representations. We find that classical learning approaches such as logistic regression perform well with sets of relatively specific, disjoint chemical classes, while the neural network is able to handle larger sets of overlapping classes but needs more examples per class to learn from, and is not able to make a class prediction for every molecule. Future work will explore hybrid and ensemble approaches, as well as alternative network architectures including neuro-symbolic approaches.

scholarly journals Financial Context News Sentiment Analysis for the Lithuanian Language

2021 ◽  
Vol 11 (10) ◽  
pp. 4443
Author(s):  
Rokas Štrimaitis ◽  
Pavel Stefanovič ◽  
Simona Ramanauskaitė ◽  
Asta Slotkienė
Keyword(s):  
Machine Learning ◽  
Sentiment Analysis ◽  
Short Term Memory ◽  
Machine Learning Algorithms ◽  
Supervised Machine Learning ◽  
Experimental Investigations ◽  
Support Vector ◽  
Applied Machine Learning ◽  
Bayes Algorithm ◽  
Website Content

Financial area analysis is not limited to enterprise performance analysis. It is worth analyzing as wide an area as possible to obtain the full impression of a specific enterprise. News website content is a datum source that expresses the public’s opinion on enterprise operations, status, etc. Therefore, it is worth analyzing the news portal article text. Sentiment analysis in English texts and financial area texts exist, and are accurate, the complexity of Lithuanian language is mostly concentrated on sentiment analysis of comment texts, and does not provide high accuracy. Therefore in this paper, the supervised machine learning model was implemented to assign sentiment analysis on financial context news, gathered from Lithuanian language websites. The analysis was made using three commonly used classification algorithms in the field of sentiment analysis. The hyperparameters optimization using the grid search was performed to discover the best parameters of each classifier. All experimental investigations were made using the newly collected datasets from four Lithuanian news websites. The results of the applied machine learning algorithms show that the highest accuracy is obtained using a non-balanced dataset, via the multinomial Naive Bayes algorithm (71.1%). The other algorithm accuracies were slightly lower: a long short-term memory (71%), and a support vector machine (70.4%).

A Survey for Predicting ATP Binding Residues of Proteins Using Machine Learning Methods

2021 ◽  
Vol 28 ◽  
Author(s):  
Yu-He Yang ◽  
Jia-Shu Wang ◽  
Shi-Shi Yuan ◽  
Meng-Lu Liu ◽  
Wei Su ◽  
...  
Keyword(s):  
Machine Learning ◽  
Protein Function ◽  
Vital Role ◽  
Atp Binding ◽  
Learning Methods ◽  
Machine Learning Methods ◽  
Protein Ligand Interactions ◽  
Protein Functions ◽  
Ligand Interactions ◽  
Binding Residues

: Protein-ligand interactions are necessary for majority protein functions. Adenosine-5’-triphosphate (ATP) is one such ligand that plays vital role as a coenzyme in providing energy for cellular activities, catalyzing biological reaction and signaling. Knowing ATP binding residues of proteins is helpful for annotation of protein function and drug design. However, due to the huge amounts of protein sequences influx into databases in the post-genome era, experimentally identifying ATP binding residues is cost-ineffective and time-consuming. To address this problem, computational methods have been developed to predict ATP binding residues. In this review, we briefly summarized the application of machine learning methods in detecting ATP binding residues of proteins. We expect this review will be helpful for further research.

scholarly journals DeepGOZero: Improving protein function prediction from sequence and zero-shot learning based on ontology axioms

2022 ◽  
Author(s):  
Maxat Kulmanov ◽  
Robert Hoehndorf
Keyword(s):  
Machine Learning ◽  
Protein Function ◽  
Protein Function Prediction ◽  
Prediction Method ◽  
Function Prediction ◽  
Training Data ◽  
Large Set ◽  
Theoretic Approach ◽  
Machine Learning Model ◽  
Protein Functions

Motivation: Protein functions are often described using the Gene Ontology (GO) which is an ontology consisting of over 50,000 classes and a large set of formal axioms. Predicting the functions of proteins is one of the key challenges in computational biology and a variety of machine learning methods have been developed for this purpose. However, these methods usually require significant amount of training data and cannot make predictions for GO classes which have only few or no experimental annotations. Results: We developed DeepGOZero, a machine learning model which improves predictions for functions with no or only a small number of annotations. To achieve this goal, we rely on a model-theoretic approach for learning ontology embeddings and combine it with neural networks for protein function prediction. DeepGOZero can exploit formal axioms in the GO to make zero-shot predictions, i.e., predict protein functions even if not a single protein in the training phase was associated with that function. Furthermore, the zero-shot prediction method employed by DeepGOZero is generic and can be applied whenever associations with ontology classes need to be predicted. Availability: http://github.com/bio-ontology-research-group/deepgozero

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