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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

We present two approaches to system identification, i.e. the identification of partial differential equations (PDEs) from measurement data. The first is a regression-based Variational System Identification procedure that is advantageous in…

Computational Physics · Physics 2024-03-28 Zhenlin Wang , Bowei Wu , Krishna Garikipati , Xun Huan

Traditionally source identification is solved using threshold based energy detection algorithms. These algorithms frequently sum up the activity in regions, and consider regions above a specific activity threshold to be sources. While these…

Sound · Computer Science 2022-11-03 Luke Wood , Kevin Anderson , Peter Gerstoft , Richard Bell , Raghab Subbaraman , Dinesh Bharadia

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

Chemical Physics · Physics 2021-02-12 Navid Shervani-Tabar , Nicholas Zabaras

Unbiased, label-free proteomics is becoming a powerful technique for measuring protein expression in almost any biological sample. The output of these measurements after preprocessing is a collection of features and their associated…

Scientists at the Berkeley SETI Research Center are Searching for Extraterrestrial Intelligence (SETI) by a new signal detection method that converts radio signals into spectrograms through Fourier transforms and classifies signals…

Computer Vision and Pattern Recognition · Computer Science 2022-03-30 Zhewei Chen , Sami Ahmed Haider

Identifying disease-indicative genes is critical for deciphering disease mechanisms and has attracted significant interest in biomedical research. Spatial transcriptomics offers unprecedented insights for the detection of disease-specific…

Methodology · Statistics 2024-09-05 Qicheng Zhao , Qihuang Zhang

Sequential change diagnosis is the joint problem of detection and identification of a sudden and unobservable change in the distribution of a random sequence. In this problem, the common probability law of a sequence of i.i.d. random…

Probability · Mathematics 2007-10-29 Savas Dayanik , Christian Goulding , H. Vincent Poor

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

System identification in scenarios where the observed number of variables is less than the degrees of freedom in the dynamics is an important challenge. In this work we tackle this problem by using a recognition network to increase the…

Computational Physics · Physics 2020-10-14 Constantino A. Garcia , Paulo Felix , Jesus M. Presedo , Abraham Otero

Tandem mass spectra capture fragmentation patterns that provide key structural information about a molecule. Although mass spectrometry is applied in many areas, the vast majority of small molecules lack experimental reference spectra. For…

Machine Learning · Computer Science 2023-05-03 Adamo Young , Bo Wang , Hannes Röst

X-ray Photoelectron Spectroscopy (XPS) is a crucial technique for material surface analysis, yet interpreting its spectra is often challenging for both human analysts and automated methods due to the prevalence of variable spectral shifts…

Materials Science · Physics 2026-03-06 Issa Saddiq , Yuxin Fan , Robert G. Palgrave , Mark A. Isaacs , David Morgan , Keith T. Butler

Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers a solution, current approaches typically fall into two…

Machine Learning · Computer Science 2026-03-05 Yinkai Wang , Yan Zhou Chen , Xiaohui Chen , Li-Ping Liu , Soha Hassoun

This paper presents a machine learning framework for Bayesian systems identification from noisy, sparse and irregular observations of nonlinear dynamical systems. The proposed method takes advantage of recent developments in differentiable…

Machine Learning · Computer Science 2020-04-21 Yibo Yang , Mohamed Aziz Bhouri , Paris Perdikaris

Mass spectrometry is a widely used method to study molecules and processes in medicine, life sciences, chemistry, catalysis, and industrial product quality control, among many other applications. One of the main features of some mass…

Chemical Physics · Physics 2024-07-02 Daniil A. Boiko , Valentine P. Ananikov

We propose a new method to recover global information about a network of interconnected dynamical systems based on observations made at a small number (possibly one) of its nodes. In contrast to classical identification of full graph…

Dynamical Systems · Mathematics 2016-10-18 A. Mauroy , J. Hendrickx

A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented. Using a minimal set of input data determined…

Chemical Physics · Physics 2020-07-01 Michael C. McCarthy , Kin Long Kelvin Lee

GAPS is an international balloon-borne project that contributes to solving the dark-matter mystery through a highly sensitive survey of cosmic-ray antiparticles, especially undiscovered antideuterons. To achieve a sufficient sensitivity to…

Instrumentation and Methods for Astrophysics · Physics 2019-09-12 Takuya Wada , Hideyuki Fuke , Yuki Shimizu , Tetsuya Yoshida

In this study, we propose a hidden Markov mixture model for the analysis of gene expression measurements mapped to chromosome locations. These expression values represent preprocessed light intensities observed in each probe of Affymetrix…

Applications · Statistics 2016-09-27 Vinícius Diniz Mayrink , Flávio Bambirra Gonçalves

The diagnosis of cyber-physical systems aims to detect faulty behaviour, its root cause and a mitigation or even prevention policy. Therefore, diagnosis relies on a representation of the system's functional and faulty behaviour combined…

Machine Learning · Computer Science 2021-10-13 Nicolas Olivain , Philipp Tiefenbacher , Jens Kohl