ContraNovo: A Contrastive Learning Approach to Enhance De Novo Peptide Sequencing

peer-reviewed · AAAI 2024 · 2024

peer-reviewed · AAAI 2024 · 2024. Zhi Jin et al. De novo peptide sequencing from mass spectrometry (MS) data is a critical task in proteomics research…
Date 2024-03-24
Type peer-reviewed
Venue AAAI 2024
Publisher AAAI Press
Contribution algorithm
DOI 10.1609/aaai.v38i1.27765
Citations (OpenAlex) 22

Abstract

De novo peptide sequencing from mass spectrometry (MS) data is a critical task in proteomics research. Traditional de novo algorithms have encountered a bottleneck in accuracy due to the inherent complexity of proteomics data. While deep learning-based methods have shown progress, they reduce the problem to a translation task, potentially overlooking critical nuances between spectra and peptides. In our research, we present ContraNovo, a pioneering algorithm that leverages contrastive learning to extract the relationship between spectra and peptides and incorporates the mass information into peptide decoding, aiming to address these intricacies more efficiently. Through rigorous evaluations on two benchmark datasets, ContraNovo consistently outshines contemporary state-of-the-art solutions, underscoring its promising potential in enhancing de novo peptide sequencing.

Authors

  1. Zhi Jin · Shanghai Artificial Intelligence Laboratory, Soochow University
  2. Sheng Xu · Fudan University, Shanghai Artificial Intelligence Laboratory
  3. Xiang Zhang (Shanghai AI Lab) · Fudan University, Shanghai Artificial Intelligence Laboratory, University of British Columbia
  4. Tianze Ling · Beijing Institute of Lifeomics, State Key Laboratory of Medical Proteomics, Tsinghua University
  5. Nanqing Dong · Shanghai Artificial Intelligence Laboratory
  6. Wanli Ouyang · Shanghai Artificial Intelligence Laboratory
  7. Zhiqiang Gao · Shanghai Artificial Intelligence Laboratory
  8. Cheng Chang · Beijing Institute of Lifeomics, International Academy of Phronesis Medicine (Guangdong), National Center for Protein Sciences (Beijing), State Key Laboratory of Medical Proteomics
  9. Siqi Sun · Fudan University, Shanghai Artificial Intelligence Laboratory

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