Data-driven Synthesis of Magnetic Resonance Spectroscopy Data using a Variational Autoencoder

The development of deep learning methods for magnetic resonance spectroscopy (MRS) is often hindered by limited availability of large, high-quality training datasets. While physics-based simulations are commonly used to mitigate this limitation, accurately modeling all in-vivo signal components remains challenging. In this work, we propose a data-driven framework for synthesizing in-vivo MRS data using a variational autoencoder (VAE) trained exclusively on measured single-voxel spectroscopy data. The model learns a low-dimensional latent representation of complex-valued spectra and enables generation of new samples through latent-space sampling and interpolation. The generative performance of the proposed approach is evaluated using a comprehensive set of complementary analyses, including reconstruction quality, feature-level similarity using low-dimensional embeddings, application-based signal quality metrics, and metabolite quantification agreement. The results demonstrate that the VAE accurately reconstructs dominant spectral patterns and generates synthetic spectra that occupy the same feature space as in-vivo data. In an example application targeting GABA-edited spectroscopy, augmenting limited subsets of transients with synthetic spectra improves signal quality metrics such as signal-to-noise ratio, linewidth, and shape scores. However, the results also reveal limitations of the generative approach, including under-representation of stochastic noise and reduced accuracy in absolute metabolite quantification, particularly for applications sensitive to concentration estimates. These findings highlight both potential and limitations of data-driven MRS synthesis. Beyond the proposed model, this study introduces a structured evaluation framework for generative MRS methods, emphasizing the importance of application-aware validation when synthetic data are used for downstream analysis.

Physics-Informed Sylvester Normalizing Flows for Bayesian Inference in Magnetic Resonance Spectroscopy

Magnetic resonance spectroscopy (MRS) is a non-invasive technique to measure the metabolic composition of tissues, offering valuable insights into neurological disorders, tumor detection, and other metabolic dysfunctions. However, accurate metabolite quantification is hindered by challenges such as spectral overlap, low signal-to-noise ratio, and various artifacts. Traditional methods like linear-combination modeling are susceptible to ambiguities and commonly only provide a theoretical lower bound on estimation accuracy in the form of the Cram\'er-Rao bound. This work introduces a Bayesian inference framework using Sylvester normalizing flows (SNFs) to approximate posterior distributions over metabolite concentrations, enhancing quantification reliability. A physics-based decoder incorporates prior knowledge of MRS signal formation, ensuring realistic distribution representations. We validate the method on simulated 7T proton MRS data, demonstrating accurate metabolite quantification, well-calibrated uncertainties, and insights into parameter correlations and multi-modal distributions.

WAND: Wavelet Analysis-based Neural Decomposition of MRS Signals for Artifact Removal

Accurate quantification of metabolites in magnetic resonance spectroscopy (MRS) is challenged by low signal-to-noise ratio (SNR), overlapping metabolites, and various artifacts. Particularly, unknown and unparameterized baseline effects obscure the quantification of low-concentration metabolites, limiting MRS reliability. This paper introduces wavelet analysis-based neural decomposition (WAND), a novel data-driven method designed to decompose MRS signals into their constituent components: metabolite-specific signals, baseline, and artifacts. WAND takes advantage of the enhanced separability of these components within the wavelet domain. The method employs a neural network, specifically a U-Net architecture, trained to predict masks for wavelet coefficients obtained through the continuous wavelet transform. These masks effectively isolate desired signal components in the wavelet domain, which are then inverse-transformed to obtain separated signals. Notably, an artifact mask is created by inverting the sum of all known signal masks, enabling WAND to capture and remove even unpredictable artifacts. The effectiveness of WAND in achieving accurate decomposition is demonstrated through numerical evaluations using simulated spectra. Furthermore, WAND's artifact removal capabilities significantly enhance the quantification accuracy of linear combination model fitting. The method's robustness is further validated using data from the 2016 MRS Fitting Challenge and in-vivo experiments.

A Deep Learning Approach Utilizing Covariance Matrix Analysis for the ISBI Edited MRS Reconstruction Challenge

This work proposes a method to accelerate the acquisition of high-quality edited magnetic resonance spectroscopy (MRS) scans using machine learning models taking the sample covariance matrix as input. The method is invariant to the number of transients and robust to noisy input data for both synthetic as well as in-vivo scenarios.