Amortized Variational Peak Fitting For Spectroscopic Data

Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

Abstract

Spectroscopic analysis relies on identifying and understanding the spectral peaks that represent unique characteristics of an analyte. In high-speed real-time settings, current peak fitting techniques, particularly Bayesian methods involving MCMC or variational approximation, can be prohibitively expensive. We propose an unsupervised method using a convolutional neural network to estimate the number of peaks and their parameters along with posterior uncertainty, by amortizing variational inference in a classical parametric peak model. In a simulated data study, our method reliably determines the number of peaks, precisely estimates parameters similar to direct variational inference, and accurately captures uncertainty comparable to MCMC methods. Our novel, fast, and precise method for Bayesian spectral analysis opens new possibilities in real-time spectral data processing for high-speed monitoring and control.
Original languageEnglish
Title of host publicationProceedings of IEEE 33rd International Workshop on Machine Learning for Signal Processing
Number of pages6
PublisherIEEE
Publication date2023
ISBN (Print)979-8-3503-2412-9
DOIs
Publication statusPublished - 2023
Event2023 IEEE 33rd International Workshop on Machine Learning for Signal Processing - Rome, Italy, Rome, Italy
Duration: 17 Sept 202320 Sept 2023

Conference

Conference2023 IEEE 33rd International Workshop on Machine Learning for Signal Processing
LocationRome, Italy
Country/TerritoryItaly
CityRome
Period17/09/202320/09/2023

Keywords

  • Amortized inference
  • GFlowNet
  • Spectroscopy
  • Variational autoencoder

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