Intact metabolite spectrum mining by deep learning in proton magnetic resonance spectroscopy of the brain.

To develop a robust method for brain metabolite quantification in proton magnetic resonance spectroscopy (1 H-MRS) using a convolutional neural network (CNN) that maps in vivo brain spectra that are typically degraded by low SNR, line broadening, and spectral baseline into noise-free, line-narrowed, baseline-removed intact metabolite spectra. A CNN was trained (n = 40 000) and tested (n = 5000) on simulated brain spectra with wide ranges of SNR (6.90-20.74) and linewidth (10-20 Hz). The CNN was further tested on in vivo spectra (n = 40) from five healthy volunteers with substantially different SNR, and the results were compared with those from the LCModel analysis. A Student t test was performed for the comparison. Using the proposed method the mean-absolute-percent-errors (MAPEs) in the estimated metabolite concentrations were 12.49% ± 4.35% for aspartate, creatine (Cr), γ-aminobutyric acid (GABA), glucose, glutamine, glutamate, glutathione (GSH), myo-Inositol (mI), N-acetylaspartate, phosphocreatine (PCr), phosphorylethanolamine, and taurine over the whole simulated spectra in the test set. The metabolite concentrations estimated from in vivo spectra were close to the reported ranges for the proposed method and the LCModel analysis except mI, GSH, and especially Cr/PCr for the LCModel analysis, and phosphorylcholine to glycerophosphorylcholine ratio (PC/GPC) for both methods. The metabolite concentrations estimated across the in vivo spectra with different SNR were less variable with the proposed method (~10% or less) than with the LCModel analysis. The robust performance of the proposed method against low SNR may allow a subminute 1 H-MRS of human brain, which is an important technical development for clinical studies.