Deep Learning Approach for Dynamic Sampling for Multichannel Mass Spectrometry Imaging

Mass Spectrometry Imaging (MSI), using traditional rectilinear scanning, takes hours to days for high spatial resolution acquisitions. Given that most pixels within a sample's field of view are often neither relevant to underlying biological structures nor chemically informative, MSI presents as a prime candidate for integration with sparse and dynamic sampling algorithms. During a scan, stochastic models determine which locations probabilistically contain information critical to the generation of low-error reconstructions. Decreasing the number of required physical measurements thereby minimizes overall acquisition times. A Deep Learning Approach for Dynamic Sampling (DLADS), utilizing a Convolutional Neural Network (CNN) and encapsulating molecular mass intensity distributions within a third dimension, demonstrates a simulated 70% throughput improvement for Nanospray Desorption Electrospray Ionization (nano-DESI) MSI tissues. Evaluations are conducted between DLADS, a Supervised Learning Approach for Dynamic Sampling, with Least-Squares regression (SLADS-LS), and a Multi-Layer Perceptron (MLP) network (SLADS-Net). When compared with SLADS-LS, limited to a single m/z channel, as well as multichannel SLADS-LS and SLADS-Net, DLADS respectively improves regression performance by 36.7%, 7.0%, and 6.2%, resulting in gains to reconstruction quality of 6.0%, 2.1%, and 3.4% for acquisition of targeted m/z.

Automated summary

Mass spectrometry imaging (MSI) using traditional rectilinear scanning is time-consuming. Integrating MSI with sparse and dynamic sampling algorithms can reduce acquisition times by determining critical information locations and decreasing physical measurements. A deep learning approach for dynamic sampling (DLADS) with a convolutional neural network (CNN) showed a 70% throughput improvement in nano-DESI MSI tissues.