Large-scale entity representation learning for biomedical relationship extraction

2020 ◽  
Author(s):  
Mario Sänger ◽  
Ulf Leser
Keyword(s):  
Large Scale ◽  
Research Question ◽  
Relation Extraction ◽  
Representation Learning ◽  
Supplementary Information ◽  
Source Codes ◽  
Prior Art ◽  
Relationship Extraction ◽  
Learning Techniques ◽  
Recent Representation

Abstract Motivation The automatic extraction of published relationships between molecular entities has important applications in many biomedical fields, ranging from Systems Biology to Personalized Medicine. Existing works focused on extracting relationships described in single articles or in single sentences. However, a single record is rarely sufficient to judge upon the biological correctness of a relation, as experimental evidence might be weak or only valid in a certain context. Furthermore, statements may be more speculative than confirmative, and different articles often contradict each other. Experts therefore always take the complete literature into account to take a reliable decision upon a relationship. It is an open research question how to do this effectively in an automatic manner. Results We propose two novel relation extraction approaches which use recent representation learning techniques to create comprehensive models of biomedical entities or entity-pairs, respectively. These representations are learned by considering all publications from PubMed mentioning an entity or a pair. They are used as input for a neural network for classifying relations globally, i.e. the derived predictions are corpus-based, not sentence- or article based as in prior art. Experiments on the extraction of mutation–disease, drug–disease and drug–drug relationships show that the learned embeddings indeed capture semantic information of the entities under study and outperform traditional methods by 4–29% regarding F1 score. Availability and implementation Source codes are available at: https://github.com/mariosaenger/bio-re-with-entity-embeddings. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals BERTMeSH: deep contextual representation learning for large-scale high-performance MeSH indexing with full text

2020 ◽  
Author(s):  
Ronghui You ◽  
Yuxuan Liu ◽  
Hiroshi Mamitsuka ◽  
Shanfeng Zhu
Keyword(s):  
Full Text ◽  
High Performance ◽  
Large Scale ◽  
Learning Strategy ◽  
Learning To Rank ◽  
Representation Learning ◽  
Supplementary Information ◽  
Medical Subject Headings ◽  
The Difference ◽  
Contextual Representation

Abstract Motivation With the rapid increase of biomedical articles, large-scale automatic Medical Subject Headings (MeSH) indexing has become increasingly important. FullMeSH, the only method for large-scale MeSH indexing with full text, suffers from three major drawbacks: FullMeSH (i) uses Learning To Rank, which is time-consuming, (ii) can capture some pre-defined sections only in full text and (iii) ignores the whole MEDLINE database. Results We propose a computationally lighter, full text and deep-learning-based MeSH indexing method, BERTMeSH, which is flexible for section organization in full text. BERTMeSH has two technologies: (i) the state-of-the-art pre-trained deep contextual representation, Bidirectional Encoder Representations from Transformers (BERT), which makes BERTMeSH capture deep semantics of full text. (ii) A transfer learning strategy for using both full text in PubMed Central (PMC) and title and abstract (only and no full text) in MEDLINE, to take advantages of both. In our experiments, BERTMeSH was pre-trained with 3 million MEDLINE citations and trained on ∼1.5 million full texts in PMC. BERTMeSH outperformed various cutting-edge baselines. For example, for 20 K test articles of PMC, BERTMeSH achieved a Micro F-measure of 69.2%, which was 6.3% higher than FullMeSH with the difference being statistically significant. Also prediction of 20 K test articles needed 5 min by BERTMeSH, while it took more than 10 h by FullMeSH, proving the computational efficiency of BERTMeSH. Supplementary information Supplementary data are available at Bioinformatics online

ADFinder: accurate detection of programmed DNA elimination using NGS high-throughput sequencing data

2020 ◽  
Vol 36 (12) ◽  
pp. 3632-3636 ◽  
Author(s):  
Weibo Zheng ◽  
Jing Chen ◽  
Thomas G Doak ◽  
Weibo Song ◽  
Ying Yan
Keyword(s):  
High Throughput ◽  
Large Scale ◽  
High Throughput Sequencing ◽  
Supplementary Information ◽  
Sequencing Data ◽  
Source Codes ◽  
High Throughput Sequencing Data ◽  
Dna Elimination ◽  
Multiple Alternative ◽  
Dna Splicing

Abstract Motivation Programmed DNA elimination (PDE) plays a crucial role in the transitions between germline and somatic genomes in diverse organisms ranging from unicellular ciliates to multicellular nematodes. However, software specific for the detection of DNA splicing events is scarce. In this paper, we describe Accurate Deletion Finder (ADFinder), an efficient detector of PDEs using high-throughput sequencing data. ADFinder can predict PDEs with relatively low sequencing coverage, detect multiple alternative splicing forms in the same genomic location and calculate the frequency for each splicing event. This software will facilitate research of PDEs and all down-stream analyses. Results By analyzing genome-wide DNA splicing events in two micronuclear genomes of Oxytricha trifallax and Tetrahymena thermophila, we prove that ADFinder is effective in predicting large scale PDEs. Availability and implementation The source codes and manual of ADFinder are available in our GitHub website: https://github.com/weibozheng/ADFinder. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals HierCC: A multi-level clustering scheme for population assignments based on core genome MLST

2020 ◽  
Author(s):  
Zhemin Zhou ◽  
Jane Charlesworth ◽  
Mark Achtman
Keyword(s):  
Disease Surveillance ◽  
Large Scale ◽  
Core Genome ◽  
Supplementary Information ◽  
Source Codes ◽  
Link Type ◽  
Scalable Clustering ◽  
Population Structures ◽  
Multi Level ◽  
Level Cluster

AbstractMotivationRoutine infectious disease surveillance is increasingly based on large-scale whole genome sequencing databases. Real-time surveillance would benefit from immediate assignments of each genome assembly to hierarchical population structures. Here we present HierCC, a scalable clustering scheme based on core genome multi-locus typing that allows incremental, static, multi-level cluster assignments of genomes. We also present HCCeval, which identifies optimal thresholds for assigning genomes to cohesive HierCC clusters. HierCC was implemented in EnteroBase in 2018, and has since genotyped >400,000 genomes from Salmonella, Escherichia, Yersinia and Clostridioides.AvailabilityImplementation: http://enterobase.warwick.ac.uk/ and Source codes: https://github.com/zheminzhou/[email protected] informationSupplementary data are available at Bioinformatics online.

scholarly journals HierCC: A multi-level clustering scheme for population assignments based on core genome MLST

2021 ◽  
Author(s):  
Zhemin Zhou ◽  
Jane Charlesworth ◽  
Mark Achtman
Keyword(s):  
Disease Surveillance ◽  
Large Scale ◽  
Core Genome ◽  
Supplementary Information ◽  
Source Codes ◽  
Scalable Clustering ◽  
Optimal Thresholds ◽  
Population Structures ◽  
Multi Level ◽  
Level Cluster

Abstract Motivation Routine infectious disease surveillance is increasingly based on large-scale whole genome sequencing databases. Real-time surveillance would benefit from immediate assignments of each genome assembly to hierarchical population structures. Here we present pHierCC, a pipeline that defines a scalable clustering scheme, HierCC, based on core genome multi-locus typing that allows incremental, static, multi-level cluster assignments of genomes. We also present HCCeval, which identifies optimal thresholds for assigning genomes to cohesive HierCC clusters. HierCC was implemented in EnteroBase in 2018, and has since genotyped >530,000 genomes from Salmonella, Escherichia/Shigella, Streptococcus, Clostridioides, Vibrio and Yersinia. Availability Implementation: https://enterobase.warwick.ac.uk/ and Source codes and instructions: https://github.com/zheminzhou/pHierCC Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Harnessing Large-Scale Herbarium Image Datasets Through Representation Learning

2022 ◽  
Vol 12 ◽  
Author(s):  
Barnaby E. Walker ◽  
Allan Tucker ◽  
Nicky Nicolson
Keyword(s):  
Large Scale ◽  
New Technologies ◽  
Representation Learning ◽  
Natural World ◽  
Machine Learning Techniques ◽  
Herbarium Specimens ◽  
Learning Techniques ◽  
Rich Information ◽  
The Rich ◽  
Computational Resources

The mobilization of large-scale datasets of specimen images and metadata through herbarium digitization provide a rich environment for the application and development of machine learning techniques. However, limited access to computational resources and uneven progress in digitization, especially for small herbaria, still present barriers to the wide adoption of these new technologies. Using deep learning to extract representations of herbarium specimens useful for a wide variety of applications, so-called “representation learning,” could help remove these barriers. Despite its recent popularity for camera trap and natural world images, representation learning is not yet as popular for herbarium specimen images. We investigated the potential of representation learning with specimen images by building three neural networks using a publicly available dataset of over 2 million specimen images spanning multiple continents and institutions. We compared the extracted representations and tested their performance in application tasks relevant to research carried out with herbarium specimens. We found a triplet network, a type of neural network that learns distances between images, produced representations that transferred the best across all applications investigated. Our results demonstrate that it is possible to learn representations of specimen images useful in different applications, and we identify some further steps that we believe are necessary for representation learning to harness the rich information held in the worlds’ herbaria.

scholarly journals DTi2Vec: Drug–target interaction prediction using network embedding and ensemble learning

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Maha A. Thafar ◽  
Rawan S. Olayan ◽  
Somayah Albaradei ◽  
Vladimir B. Bajic ◽  
Takashi Gojobori ◽  
...  
Keyword(s):  
Feature Extraction ◽  
Ensemble Learning ◽  
Link Prediction ◽  
Drug Target ◽  
Prediction Accuracy ◽  
Large Scale ◽  
Drug Repositioning ◽  
Representation Learning ◽  
Target Interaction ◽  
Learning Techniques

AbstractDrug–target interaction (DTI) prediction is a crucial step in drug discovery and repositioning as it reduces experimental validation costs if done right. Thus, developing in-silico methods to predict potential DTI has become a competitive research niche, with one of its main focuses being improving the prediction accuracy. Using machine learning (ML) models for this task, specifically network-based approaches, is effective and has shown great advantages over the other computational methods. However, ML model development involves upstream hand-crafted feature extraction and other processes that impact prediction accuracy. Thus, network-based representation learning techniques that provide automated feature extraction combined with traditional ML classifiers dealing with downstream link prediction tasks may be better-suited paradigms. Here, we present such a method, DTi2Vec, which identifies DTIs using network representation learning and ensemble learning techniques. DTi2Vec constructs the heterogeneous network, and then it automatically generates features for each drug and target using the nodes embedding technique. DTi2Vec demonstrated its ability in drug–target link prediction compared to several state-of-the-art network-based methods, using four benchmark datasets and large-scale data compiled from DrugBank. DTi2Vec showed a statistically significant increase in the prediction performances in terms of AUPR. We verified the "novel" predicted DTIs using several databases and scientific literature. DTi2Vec is a simple yet effective method that provides high DTI prediction performance while being scalable and efficient in computation, translating into a powerful drug repositioning tool.

A Drug Target Interaction Prediction Based on LINE-RF Learning

2020 ◽  
Vol 15 (7) ◽  
pp. 750-757
Author(s):  
Jihong Wang ◽  
Yue Shi ◽  
Xiaodan Wang ◽  
Huiyou Chang
Keyword(s):  
Network Topology ◽  
Drug Target ◽  
Large Scale ◽  
Representation Learning ◽  
New Drugs ◽  
Combination Method ◽  
Learning Methods ◽  
Network Representation ◽  
On Line ◽  
Clinical Experiments

Background: At present, using computer methods to predict drug-target interactions (DTIs) is a very important step in the discovery of new drugs and drug relocation processes. The potential DTIs identified by machine learning methods can provide guidance in biochemical or clinical experiments. Objective: The goal of this article is to combine the latest network representation learning methods for drug-target prediction research, improve model prediction capabilities, and promote new drug development. Methods: We use large-scale information network embedding (LINE) method to extract network topology features of drugs, targets, diseases, etc., integrate features obtained from heterogeneous networks, construct binary classification samples, and use random forest (RF) method to predict DTIs. Results: The experiments in this paper compare the common classifiers of RF, LR, and SVM, as well as the typical network representation learning methods of LINE, Node2Vec, and DeepWalk. It can be seen that the combined method LINE-RF achieves the best results, reaching an AUC of 0.9349 and an AUPR of 0.9016. Conclusion: The learning method based on LINE network can effectively learn drugs, targets, diseases and other hidden features from the network topology. The combination of features learned through multiple networks can enhance the expression ability. RF is an effective method of supervised learning. Therefore, the Line-RF combination method is a widely applicable method.

scholarly journals Measuring sleep regularity: Theoretical properties and practical usage of existing metrics

SLEEP ◽  
2021 ◽  
Author(s):  
Dorothee Fischer ◽  
Elizabeth B Klerman ◽  
Andrew J K Phillips
Keyword(s):  
Large Scale ◽  
Research Question ◽  
Group Differences ◽  
Regularity Index ◽  
Wake Patterns ◽  
Health Related ◽  
Phase Deviation ◽  
Unbiased Estimates ◽  
Large Scale Simulations ◽  
Larger Sample

Abstract Study Objectives Sleep regularity predicts many health-related outcomes. Currently, however, there is no systematic approach to measuring sleep regularity. Traditionally, metrics have assessed deviations in sleep patterns from an individual’s average. Traditional metrics include intra-individual standard deviation (StDev), Interdaily Stability (IS), and Social Jet Lag (SJL). Two metrics were recently proposed that instead measure variability between consecutive days: Composite Phase Deviation (CPD) and Sleep Regularity Index (SRI). Using large-scale simulations, we investigated the theoretical properties of these five metrics. Methods Multiple sleep-wake patterns were systematically simulated, including variability in daily sleep timing and/or duration. Average estimates and 95% confidence intervals were calculated for six scenarios that affect measurement of sleep regularity: ‘scrambling’ the order of days; daily vs. weekly variation; naps; awakenings; ‘all-nighters’; and length of study. Results SJL measured weekly but not daily changes. Scrambling did not affect StDev or IS, but did affect CPD and SRI; these metrics, therefore, measure sleep regularity on multi-day and day-to-day timescales, respectively. StDev and CPD did not capture sleep fragmentation. IS and SRI behaved similarly in response to naps and awakenings but differed markedly for all-nighters. StDev and IS required over a week of sleep-wake data for unbiased estimates, whereas CPD and SRI required larger sample sizes to detect group differences. Conclusions Deciding which sleep regularity metric is most appropriate for a given study depends on a combination of the type of data gathered, the study length and sample size, and which aspects of sleep regularity are most pertinent to the research question.

scholarly journals A Novel Method to Predict Drug-Target Interactions Based on Large-Scale Graph Representation Learning

Cancers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 2111
Author(s):  
Bo-Wei Zhao ◽  
Zhu-Hong You ◽  
Lun Hu ◽  
Zhen-Hao Guo ◽  
Lei Wang ◽  
...  
Keyword(s):  
Drug Target ◽  
Large Scale ◽  
Computational Models ◽  
Structural Information ◽  
Characteristic Curve ◽  
Representation Learning ◽  
Graph Representation ◽  
Convolutional Network ◽  
Novel Method

Identification of drug-target interactions (DTIs) is a significant step in the drug discovery or repositioning process. Compared with the time-consuming and labor-intensive in vivo experimental methods, the computational models can provide high-quality DTI candidates in an instant. In this study, we propose a novel method called LGDTI to predict DTIs based on large-scale graph representation learning. LGDTI can capture the local and global structural information of the graph. Specifically, the first-order neighbor information of nodes can be aggregated by the graph convolutional network (GCN); on the other hand, the high-order neighbor information of nodes can be learned by the graph embedding method called DeepWalk. Finally, the two kinds of feature are fed into the random forest classifier to train and predict potential DTIs. The results show that our method obtained area under the receiver operating characteristic curve (AUROC) of 0.9455 and area under the precision-recall curve (AUPR) of 0.9491 under 5-fold cross-validation. Moreover, we compare the presented method with some existing state-of-the-art methods. These results imply that LGDTI can efficiently and robustly capture undiscovered DTIs. Moreover, the proposed model is expected to bring new inspiration and provide novel perspectives to relevant researchers.

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