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De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise…

Machine Learning · Computer Science 2025-06-02 Zijie Qiu , Jiaqi Wei , Xiang Zhang , Sheng Xu , Kai Zou , Zhi Jin , Zhiqiang Gao , Nanqing Dong , Siqi Sun

The discovery of novel proteins relies on sensitive protein identification, for which de novo peptide sequencing (DNPS) from mass spectra is a crucial approach. While deep learning has advanced DNPS, existing models inadequately enforce the…

Quantitative Methods · Quantitative Biology 2026-02-25 Shaorong Chen , Jingbo Zhou , Jun Xia

De novo peptide sequencing from mass spectrometry data is an important method for protein identification. Recently, various deep learning approaches were applied for de novo peptide sequencing and DeepNovoV2 is one of the represetative…

Quantitative Methods · Quantitative Biology 2022-03-18 Cheng Ge , Yi Lu , Jia Qu , Liangxu Xie , Feng Wang , Hong Zhang , Ren Kong , Shan Chang

Motivation: Accurate estimation of false discovery rate (FDR) of spectral identification is a central problem in mass spectrometry-based proteomics. Over the past two decades, target decoy approaches (TDAs) and decoy-free approaches (DFAs),…

Quantitative Methods · Quantitative Biology 2020-09-18 Yisu Peng , Shantanu Jain , Yong Fuga Li , Michal Gregus , Alexander R. Ivanov , Olga Vitek , Predrag Radivojac

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

De novo peptide sequencing algorithms have been widely used in proteomics to analyse tandem mass spectra (MS/MS) and assign them to peptides, but quality-control methods to evaluate the confidence of de novo peptide sequencing are lagging…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Many deep learning methods have been developed for \emph{de novo} peptide…

Quantitative Methods · Quantitative Biology 2024-11-01 Jingbo Zhou , Shaorong Chen , Jun Xia , Sizhe Liu , Tianze Ling , Wenjie Du , Yue Liu , Jianwei Yin , Stan Z. Li

Proteomics is the large-scale analysis of the proteins. The common method for identifying proteins and characterising their amino acid sequences is to digest the proteins into peptides, analyse the peptides using mass spectrometry and…

Computational Engineering, Finance, and Science · Computer Science 2019-02-05 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

De novo peptide sequencing is a fundamental computational technique for ascertaining amino acid sequences of peptides directly from tandem mass spectrometry data, eliminating the need for reference databases. Cutting-edge models usually…

Computational Engineering, Finance, and Science · Computer Science 2025-05-26 Ye Du , Chen Yang , Nanxi Yu , Wanyu Lin , Qian Zhao , Shujun Wang

De novo peptide sequencing aims to recover amino acid sequences of a peptide from tandem mass spectrometry (MS) data. Existing approaches for de novo analysis enumerate MS evidence for all amino acid classes during inference. It leads to…

Quantitative Methods · Quantitative Biology 2022-03-25 Yan Yang , Zakir Hossain , Khandaker Asif , Liyuan Pan , Shafin Rahman , Eric Stone

Liquid chromatography with tandem mass spectrometry (LC-MS/MS) based proteomics is a well-established research field with major applications such as identification of disease biomarkers, drug discovery, drug design and development. In…

Quantitative Methods · Quantitative Biology 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

Peptide de novo sequencing is a method used to reconstruct amino acid sequences from tandem mass spectrometry data without relying on existing protein sequence databases. Traditional deep learning approaches, such as Casanovo, mainly…

Machine Learning · Computer Science 2025-07-16 Chi-en Amy Tai , Alexander Wong

Motivation: Target-decoy search (TDS) is currently the most popular strategy for estimating and controlling the false discovery rate (FDR) of peptide identifications in mass spectrometry-based shotgun proteomics. While this strategy is very…

Applications · Statistics 2015-01-06 Kun He , Yan Fu , Wen-Feng Zeng , Lan Luo , Hao Chi , Chao Liu , Lai-Yun Qing , Rui-Xiang Sun , Si-Min He

Tandem mass spectrometry (MS/MS) stands as the predominant high-throughput technique for comprehensively analyzing protein content within biological samples. This methodology is a cornerstone driving the advancement of proteomics. In recent…

Quantitative Methods · Quantitative Biology 2024-06-27 Shiva Ebrahimi , Xuan Guo

Most deep noise suppression (DNS) models are trained with reference-based losses requiring access to clean speech. However, sometimes an additive microphone model is insufficient for real-world applications. Accordingly, ways to use real…

Audio and Speech Processing · Electrical Eng. & Systems 2023-09-06 Ziyi Xu , Marvin Sach , Jan Pirklbauer , Tim Fingscheidt

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the analysis of protein composition in biological samples. Despite the development of various deep learning methods for identifying amino acid sequences…

Quantitative Methods · Quantitative Biology 2024-03-18 Jun Xia , Shaorong Chen , Jingbo Zhou , Tianze Ling , Wenjie Du , Sizhe Liu , Stan Z. Li

Speech enhancement employing deep neural networks (DNNs) for denoising are called deep noise suppression (DNS). During training, DNS methods are typically trained with mean squared error (MSE) type loss functions, which do not guarantee…

Audio and Speech Processing · Electrical Eng. & Systems 2021-11-09 Ziyi Xu , Maximilian Strake , Tim Fingscheidt

Personalized cancer vaccines are envisioned as the next generation rational cancer immunotherapy. The key step in developing personalized therapeutic cancer vaccines is to identify tumor-specific neoantigens that are on the surface of tumor…

Machine Learning · Computer Science 2019-05-23 Rui Qiao , Ngoc Hieu Tran , Lei Xin , Baozhen Shan , Ming Li , Ali Ghodsi

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Physics-informed neural networks (PINNs) have recently emerged as an alternative way of solving partial differential equations (PDEs) without the need of building elaborate grids, instead, using a straightforward implementation. In…

Analysis of PDEs · Mathematics 2019-09-04 Dongkun Zhang , Lu Lu , Ling Guo , George Em Karniadakis
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