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Graph neural networks

Can a graph neural network sort unknown phage DNA into families?

Shang J, Jiang J, Sun Y · Bioinformatics (Oxford, England) · 2021

Open access · cc by · source: Europe PMC

Linking DNA fragments into a graph by shared proteins and training a graph network on labelled and unlabelled fragments together classified novel phages more accurately than existing tools, especially for short fragments.

Study at a glance

Design
Computational / modelling — Semi-supervised GCN over a knowledge graph of contigs and reference genomes, compared with vConTACT 2.0, POGs, ClassiPhage and a CNN-only baseline on simulated and real contigs.
N
No single N: 3639 Caudovirales reference genomes; simulated tests of 4800 contigs per length range; 301 contigs from simulated reads; 43 contigs from two real datasets; 22 966 oyster contigs.
Population
Bacteriophage genomes and assembled metagenomic contigs from 8 Caudovirales families
Outcome
Family-level macro-accuracy, macro-precision and macro-recall

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Key findings

PhaGCN beat the other tools at every contig length, and adding the graph improved both recall and precision over using the CNN alone. On contigs assembled from simulated reads it stayed above 80% accuracy even for 2-4 kbp contigs and reached 100% for contigs over 8 kbp. On two real datasets it had 100% accuracy on 43 contigs, and in oyster metagenomes it labelled about 74.8% of contigs versus about 1.1% for vConTACT 2.0.

Methodology

The authors built PhaGCN: a CNN turns each DNA contig into a feature vector (a node), and edges link contigs and reference genomes that share many similar proteins. A graph convolutional network trained on this graph uses both labelled references and unlabelled contigs. Test genomes were always removed from training ('genome masking') so every test phage was effectively new, and performance was compared with three alignment- or clustering-based tools and a CNN-only model.

Limitations

Only family-level classification was tested, mostly within one order, because lower ranks have too few genomes; families with fewer than 10 training genomes remain hard. Contigs with no edge to the graph get no prediction at all, and the real-data tests are small (43 contigs) with read-level NCBI labels as ground truth, while the oyster data had no ground truth. PhaGCN is also not the fastest tool because of its heavy alignment step.

How this study connects

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