scholarly journals PecanPy: a fast, efficient, and parallelized Python implementation of node2vec

2020 ◽  
Author(s):  
Renming Liu ◽  
Arjun Krishnan
Keyword(s):  
Machine Learning ◽  
Data Structures ◽  
Biological Networks ◽  
Network Density ◽  
High Quality ◽  
Large Graphs ◽  
Graph Data ◽  
Compact Graph ◽  
Low Dimensional ◽  
Node Embeddings

AbstractLearning low-dimensional representations (embeddings) of nodes in large graphs is key to applying machine learning on massive biological networks. Node2vec is the most widely used method for node embedding. However, its original Python and C++ implementations scale poorly with network density, failing for dense biological networks with hundreds of millions of edges. We have developed PecanPy, a new Python implementation of node2vec that uses cache-optimized compact graph data structures and precomputing/parallelization to result in fast, high-quality node embeddings for biological networks of all sizes and densities. PecanPy software and documentation are available at https://github.com/krishnanlab/pecanpy.

scholarly journals PecanPy: a fast, efficient, and parallelized Python implementation of node2vec

2021 ◽  
Author(s):  
Renming Liu ◽  
Arjun Krishnan
Keyword(s):  
Data Structures ◽  
Biological Networks ◽  
Supplementary Information ◽  
Network Density ◽  
High Quality ◽  
Large Graphs ◽  
Graph Data ◽  
Compact Graph ◽  
Low Dimensional ◽  
Node Embeddings

Abstract Summary Learning low-dimensional representations (embeddings) of nodes in large graphs is key to applying machine learning on massive biological networks. Node2vec is the most widely used method for node embedding. However, its original Python and C ++ implementations scale poorly with network density, failing for dense biological networks with hundreds of millions of edges. We have developed PecanPy, a new Python implementation of node2vec that uses cache-optimized compact graph data structures and precomputing/parallelization to result in fast, high-quality node embeddings for biological networks of all sizes and densities. Availability PecanPy software is freely available at https://github.com/krishnanlab/PecanPy Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Link Prediction in Complex Networks using Embedding Techniques and Similarity Measures

2020 ◽  
Vol 9 (5) ◽  
pp. 1690-1696
Keyword(s):  
Biological Networks ◽  
Link Prediction ◽  
Preferential Attachment ◽  
Similarity Measures ◽  
Telecommunication Networks ◽  
Different Dimensions ◽  
Low Dimensional ◽  
Embedding Methods ◽  
Node Embeddings ◽  
Interacting Components

Networks have proved to be very helpful in modelling complex systems with interacting components. There are various problems across various domains where the systems can be modelled in the form of a network with links between interacting components. The Problem of Link Prediction deals with predicting missing links in a given network. The application of link prediction ranges across various disciplines including biological networks, transportation networks, social networks, telecommunication networks, etc. In this paper, we use node embedding methods to encode the nodes into low dimensional embeddings and predict links based on the edge embeddings computed by taking the hadamard product of the participating nodes. We further compare the accuracy of the models trained on different dimensions of embeddings. We also study how the introduction of additional features changes the accuracy when introduced to various dimensions of node embeddings. The additional features include overlapping measures such as Jaccard similarity, Adamic-Adar score and dot product between node embeddings as well as heuristic features i.e. Common Neighbors, Resource Allocation, preferential attachment and friend tns score.

scholarly journals Classification of Brainwaves for Sleep Stages by High-Dimensional FFT Features from EEG Signals

2020 ◽  
Vol 10 (5) ◽  
pp. 1797 ◽  
Author(s):  
Mera Kartika Delimayanti ◽  
Bedy Purnama ◽  
Ngoc Giang Nguyen ◽  
Mohammad Reza Faisal ◽  
Kunti Robiatul Mahmudah ◽  
...  
Keyword(s):  
Machine Learning ◽  
Sleep Stage ◽  
Machine Learning Algorithms ◽  
High Dimensional ◽  
Sleep Stages ◽  
Eeg Signals ◽  
Stage Classification ◽  
Sleep Stage Classification ◽  
Low Dimensional

Manual classification of sleep stage is a time-consuming but necessary step in the diagnosis and treatment of sleep disorders, and its automation has been an area of active study. The previous works have shown that low dimensional fast Fourier transform (FFT) features and many machine learning algorithms have been applied. In this paper, we demonstrate utilization of features extracted from EEG signals via FFT to improve the performance of automated sleep stage classification through machine learning methods. Unlike previous works using FFT, we incorporated thousands of FFT features in order to classify the sleep stages into 2–6 classes. Using the expanded version of Sleep-EDF dataset with 61 recordings, our method outperformed other state-of-the art methods. This result indicates that high dimensional FFT features in combination with a simple feature selection is effective for the improvement of automated sleep stage classification.

Tiered Sampling

2021 ◽  
Vol 15 (5) ◽  
pp. 1-52
Author(s):  
Lorenzo De Stefani ◽  
Erisa Terolli ◽  
Eli Upfal
Keyword(s):  
Large Scale ◽  
Analysis Of Algorithms ◽  
Base Layer ◽  
Single Edge ◽  
Real World Data ◽  
High Quality ◽  
Large Graphs ◽  
Massive Graphs ◽  
Variance Estimate ◽  
Low Probability

We introduce Tiered Sampling , a novel technique for estimating the count of sparse motifs in massive graphs whose edges are observed in a stream. Our technique requires only a single pass on the data and uses a memory of fixed size M , which can be magnitudes smaller than the number of edges. Our methods address the challenging task of counting sparse motifs—sub-graph patterns—that have a low probability of appearing in a sample of M edges in the graph, which is the maximum amount of data available to the algorithms in each step. To obtain an unbiased and low variance estimate of the count, we partition the available memory into tiers (layers) of reservoir samples. While the base layer is a standard reservoir sample of edges, other layers are reservoir samples of sub-structures of the desired motif. By storing more frequent sub-structures of the motif, we increase the probability of detecting an occurrence of the sparse motif we are counting, thus decreasing the variance and error of the estimate. While we focus on the designing and analysis of algorithms for counting 4-cliques, we present a method which allows generalizing Tiered Sampling to obtain high-quality estimates for the number of occurrence of any sub-graph of interest, while reducing the analysis effort due to specific properties of the pattern of interest. We present a complete analytical analysis and extensive experimental evaluation of our proposed method using both synthetic and real-world data. Our results demonstrate the advantage of our method in obtaining high-quality approximations for the number of 4 and 5-cliques for large graphs using a very limited amount of memory, significantly outperforming the single edge sample approach for counting sparse motifs in large scale graphs.

scholarly journals Fabrication of High-Quality Thin Solid-State Electrolyte Films Assisted by Machine Learning

2021 ◽  
pp. 1639-1648
Author(s):  
Yu-Ting Chen ◽  
Marc Duquesnoy ◽  
Darren H. S. Tan ◽  
Jean-Marie Doux ◽  
Hedi Yang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Solid State ◽  
High Quality ◽  
Solid State Electrolyte

scholarly journals Prediction of Sugar Content in Port Wine Vintage Grapes Using Machine Learning and Hyperspectral Imaging

Processes ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 1241
Author(s):  
Véronique Gomes ◽  
Marco S. Reis ◽  
Francisco Rovira-Más ◽  
Ana Mendes-Ferreira ◽  
Pedro Melo-Pinto
Keyword(s):  
Machine Learning ◽  
Neural Networks ◽  
Hyperspectral Imaging ◽  
Sugar Content ◽  
Hyperspectral Data ◽  
Machine Learning Algorithms ◽  
Port Wine ◽  
Monitoring And Control ◽  
High Quality ◽  
Harvesting Stage

The high quality of Port wine is the result of a sequence of winemaking operations, such as harvesting, maceration, fermentation, extraction and aging. These stages require proper monitoring and control, in order to consistently achieve the desired wine properties. The present work focuses on the harvesting stage, where the sugar content of grapes plays a key role as one of the critical maturity parameters. Our approach makes use of hyperspectral imaging technology to rapidly extract information from wine grape berries; the collected spectra are fed to machine learning algorithms that produce estimates of the sugar level. A consistent predictive capability is important for establishing the harvest date, as well as to select the best grapes to produce specific high-quality wines. We compared four different machine learning methods (including deep learning), assessing their generalization capacity for different vintages and varieties not included in the training process. Ridge regression, partial least squares, neural networks and convolutional neural networks were the methods considered to conduct this comparison. The results show that the estimated models can successfully predict the sugar content from hyperspectral data, with the convolutional neural network outperforming the other methods.

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 Evolutionary Machine Learning for Multi-Objective Class Solutions in Medical Deformable Image Registration

Algorithms ◽  
2019 ◽  
Vol 12 (5) ◽  
pp. 99 ◽  
Author(s):  
Kleopatra Pirpinia ◽  
Peter A. N. Bosman ◽  
Jan-Jakob Sonke ◽  
Marcel van Herk ◽  
Tanja Alderliesten
Keyword(s):  
Machine Learning ◽  
Image Registration ◽  
State Of The Art ◽  
Deformable Image Registration ◽  
Optimization Approach ◽  
High Quality ◽  
Trade Off ◽  
Multi Objective ◽  
Current State ◽  
Image Artefacts

Current state-of-the-art medical deformable image registration (DIR) methods optimize a weighted sum of key objectives of interest. Having a pre-determined weight combination that leads to high-quality results for any instance of a specific DIR problem (i.e., a class solution) would facilitate clinical application of DIR. However, such a combination can vary widely for each instance and is currently often manually determined. A multi-objective optimization approach for DIR removes the need for manual tuning, providing a set of high-quality trade-off solutions. Here, we investigate machine learning for a multi-objective class solution, i.e., not a single weight combination, but a set thereof, that, when used on any instance of a specific DIR problem, approximates such a set of trade-off solutions. To this end, we employed a multi-objective evolutionary algorithm to learn sets of weight combinations for three breast DIR problems of increasing difficulty: 10 prone-prone cases, 4 prone-supine cases with limited deformations and 6 prone-supine cases with larger deformations and image artefacts. Clinically-acceptable results were obtained for the first two problems. Therefore, for DIR problems with limited deformations, a multi-objective class solution can be machine learned and used to compute straightforwardly multiple high-quality DIR outcomes, potentially leading to more efficient use of DIR in clinical practice.

scholarly journals A machine learning approach for somatic mutation discovery

2018 ◽  
Vol 10 (457) ◽  
pp. eaar7939 ◽  
Author(s):  
Derrick E. Wood ◽  
James R. White ◽  
Andrew Georgiadis ◽  
Beth Van Emburgh ◽  
Sonya Parpart-Li ◽  
...  
Keyword(s):  
Machine Learning ◽  
Cancer Patients ◽  
Somatic Mutation ◽  
Mutation Detection ◽  
Checkpoint Inhibitors ◽  
False Negative ◽  
The Cancer Genome Atlas ◽  
High Quality ◽  
Lung Cancer Patients ◽  
Mutation Discovery

Variability in the accuracy of somatic mutation detection may affect the discovery of alterations and the therapeutic management of cancer patients. To address this issue, we developed a somatic mutation discovery approach based on machine learning that outperformed existing methods in identifying experimentally validated tumor alterations (sensitivity of 97% versus 90 to 99%; positive predictive value of 98% versus 34 to 92%). Analysis of paired tumor-normal exome data from 1368 TCGA (The Cancer Genome Atlas) samples using this method revealed concordance for 74% of mutation calls but also identified likely false-positive and false-negative changes in TCGA data, including in clinically actionable genes. Determination of high-quality somatic mutation calls improved tumor mutation load–based predictions of clinical outcome for melanoma and lung cancer patients previously treated with immune checkpoint inhibitors. Integration of high-quality machine learning mutation detection in clinical next-generation sequencing (NGS) analyses increased the accuracy of test results compared to other clinical sequencing analyses. These analyses provide an approach for improved identification of tumor-specific mutations and have important implications for research and clinical management of cancer patients.

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