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Mass spectrometry-based metabolomic analysis depends upon the identification of spectral peaks by their mass and retention time. Statistical analysis that follows the identification currently relies on one main peak of each compound.…

定量方法 · 定量生物学 2014-03-20 Tommi Suvitaival , Simon Rogers , Samuel Kaski

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…

定量方法 · 定量生物学 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

While there are many different methods for peak detection, no automatic methods for marking peak boundaries to calculate area under the curve (AUC) and signal-to-noise ratio (SNR) estimation exist. An algorithm for the automation of liquid…

定量方法 · 定量生物学 2026-01-16 Florian Rupprecht , Sören Enge , Kornelius Schmidt , Wei Gao , Clemens Kirschbaum , Robert Miller

Two dimensional (2D) peak finding is a common practice in data analysis for physics experiments, which is typically achieved by computing the local derivatives. However, this method is inherently unstable when the local landscape is…

数据分析、统计与概率 · 物理学 2020-04-22 Han Peng , Xiang Gao , Yu He , Yiwei Li , Yuchen Ji , Chuhang Liu , Sandy A. Ekahana , Ding Pei , Zhongkai Liu , Zhixun Shen , Yulin Chen

Change point detection (CPD) aims to locate abrupt property changes in time series data. Recent CPD methods demonstrated the potential of using deep learning techniques, but often lack the ability to identify more subtle changes in the…

机器学习 · 计算机科学 2021-07-21 Tim De Ryck , Maarten De Vos , Alexander Bertrand

Mass spectrometry imaging (MSI) enables label-free visualization of molecular distributions across tissue samples but generates large and complex datasets that require effective peak picking to reduce data size while preserving meaningful…

计算机视觉与模式识别 · 计算机科学 2026-03-12 Philipp Weigand , Nikolas Ebert , Shad A. Mohammed , Denis Abu Sammour , Carsten Hopf , Oliver Wasenmüller

A promising technique of discovering disease biomarkers is to measure the relative protein abundance in multiple biofluid samples through liquid chromatography with tandem mass spectrometry (LC-MS/MS) based quantitative proteomics. The key…

计算机视觉与模式识别 · 计算机科学 2020-09-16 Fatema Tuz Zohora , M Ziaur Rahman , Ngoc Hieu Tran , Lei Xin , Baozhen Shan , Ming Li

Detection with high dimensional multimodal data is a challenging problem when there are complex inter- and intra- modal dependencies. While several approaches have been proposed for dependent data fusion (e.g., based on copula theory),…

应用统计 · 统计学 2018-02-14 Thakshila Wimalajeewa , Pramod K. Varshney

Two-dimensional partial covariance mass spectrometry (2D-PC-MS) exploits the inherent fluctuations of fragment ion abundances across a series of tandem mass spectra, to identify correlated pairs of fragment ions produced along the same…

Mass spectrometry-based proteomics has become the tool of choice for identifying and quantifying the proteome of an organism. Though recent years have seen a tremendous improvement in instrument performance and the computational tools used,…

Change detection plays a fundamental role in Earth observation for analyzing temporal iterations over time. However, recent studies have largely neglected the utilization of multimodal data that presents significant practical and technical…

计算机视觉与模式识别 · 计算机科学 2024-04-18 Biyuan Liu , Huaixin Chen , Kun Li , Michael Ying Yang

We propose a two-stage approach Spec PC-CP to identify change points in multivariate time series. In the first stage, we obtain a low-dimensional summary of the high-dimensional time series by Spectral Principal Component Analysis…

应用统计 · 统计学 2021-01-13 Shuhao Jiao , Tong Shen , Zhaoxia Yu , Hernando Ombao

Object detection when provided image-level labels instead of instance-level labels (i.e., bounding boxes) during training is an important problem in computer vision, since large scale image datasets with instance-level labels are extremely…

计算机视觉与模式识别 · 计算机科学 2017-03-01 Ziang Yan , Jian Liang , Weishen Pan , Jin Li , Changshui Zhang

Mass spectrometry (MS) is used widely in biomolecular structural analysis and is particularly dominant in the study of proteins. Despite its considerable power, state-of-the-art protein MS frequently suffers from limited reliability of…

Change-point detection (CPD) aims to detect abrupt changes over time series data. Intuitively, effective CPD over multivariate time series should require explicit modeling of the dependencies across input variables. However, existing CPD…

机器学习 · 计算机科学 2020-09-15 Ruohong Zhang , Yu Hao , Donghan Yu , Wei-Cheng Chang , Guokun Lai , Yiming Yang

Change point detection is a crucial aspect of analyzing time series data, as the presence of a change point indicates an abrupt and significant change in the process generating the data. While many algorithms for the problem of change point…

机器学习 · 计算机科学 2023-05-23 Mario Krause

Bayesian change-point detection, together with latent variable models, allows to perform segmentation over high-dimensional time-series. We assume that change-points lie on a lower-dimensional manifold where we aim to infer subsets of…

机器学习 · 统计学 2020-11-04 Lorena Romero-Medrano , Pablo Moreno-Muñoz , Antonio Artés-Rodríguez

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…

定量方法 · 定量生物学 2024-06-27 Shiva Ebrahimi , Xuan Guo

Transformer-based models for anomaly detection in multivariate time series can benefit from the self-attention mechanism due to its advantage in modeling long-term dependencies. However, Transformer-based anomaly detection models have…

机器学习 · 计算机科学 2023-12-05 Jie Liu , Qilin Li , Senjian An , Bradley Ezard , Ling Li

The development of compact and energy-efficient wearable sensors has led to an increase in the availability of biosignals. To analyze these continuously recorded, and often multidimensional, time series at scale, being able to conduct…

机器学习 · 计算机科学 2022-08-02 Knut J. Strømmen , Jim Tørresen , Ulysse Côté-Allard
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