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Raman spectroscopy is widely used across scientific domains to characterize the chemical composition of samples in a non-destructive, label-free manner. Many applications entail the unmixing of signals from mixtures of molecular species to…

In microarray technology, a number of critical steps are required to convert the raw measurements into the data relied upon by biologists and clinicians. These data manipulations, referred to as preprocessing, influence the quality of the…

Applications · Statistics 2009-09-29 Zhijin Wu , Rafael A. Irizarry

Raman microscopy is a powerful method combining non-invasiveness with no special sample preparation. Because of this remarkable simplicity, it has been widely exploited in many fields, ranging from life and materials sciences, to…

Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…

Machine learning methods have found many applications in Raman spectroscopy, especially for the identification of chemical species. However, almost all of these methods require non-trivial preprocessing such as baseline correction and/or…

Machine Learning · Computer Science 2018-02-07 Jinchao Liu , Margarita Osadchy , Lorna Ashton , Michael Foster , Christopher J. Solomon , Stuart J. Gibson

Raman spectroscopy is a widely used, powerful, and nondestructive tool for studying the vibrational properties of bulk and low-dimensional materials. Raman spectra can be simulated using first-principles methods, but due to the high…

Materials Science · Physics 2019-03-06 Arsalan Hashemi , Arkady V. Krasheninnikov , Martti Puska , Hannu-Pekka Komsa

Deep neural networks and other sophisticated machine learning models are widely applied to biomedical signal data because they can detect complex patterns and compute accurate predictions. However, the difficulty of interpreting such models…

Signal Processing · Electrical Eng. & Systems 2021-07-12 Charmaine Chia , Matteo Sesia , Chi-Sing Ho , Stefanie S. Jeffrey , Jennifer Dionne , Emmanuel J. Candès , Roger T. Howe

The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for…

Numerical Analysis · Mathematics 2017-09-15 Robert Luce , Peter Hildebrandt , Uwe Kuhlmann , Jörg Liesen

The worldwide increase of antimicrobial resistance (AMR) is a serious threat to human health. To avert the spread of AMR, fast reliable diagnostics tools that facilitate optimal antibiotic stewardship are an unmet need. In this regard,…

Raman spectroscopy has attracted interest as a non-invasive optical technique to study the composition and structure of a wide range of materials at the microscopic level. The intrinsic fluorescence background can be orders of magnitude…

Materials Science · Physics 2015-10-28 P. J. Cadusch , M. M. Hlaing , S. A. Wade , S. L. McArthur , P. R. Stoddart

Spectral-spatial processing has been increasingly explored in remote sensing hyperspectral image classification. While extensive studies have focused on developing methods to improve the classification accuracy, experimental setting and…

Computer Vision and Pattern Recognition · Computer Science 2017-03-08 Jie Liang , Jun Zhou , Yuntao Qian , Lian Wen , Xiao Bai , Yongsheng Gao

The combination of Deep Learning techniques and Raman spectroscopy shows great potential offering precise and prompt identification of pathogenic bacteria in clinical settings. However, the traditional closed-set classification approaches…

Quantitative Methods · Quantitative Biology 2023-10-24 Yaroslav Balytskyi , Nataliia Kalashnyk , Inna Hubenko , Alina Balytska , Kelly McNear

Biomedical data are widely accepted in developing prediction models for identifying a specific tumor, drug discovery and classification of human cancers. However, previous studies usually focused on different classifiers, and overlook the…

Quantitative Methods · Quantitative Biology 2019-11-05 Shigang Liu , Jun Zhang , Yang Xiang , Wanlei Zhou , Dongxi Xiang

Research increasingly relies on computational methods to analyze experimental data and predict molecular properties. Current approaches often require researchers to use a variety of tools for statistical analysis and machine learning,…

Quantitative Methods · Quantitative Biology 2025-12-01 Luke Rimmo Lego , Samantha Gauthier , Denver Jn. Baptiste

During the last decade, a large number of different numerical methods have been proposed to tackle the automatic identification and quantification in {\gamma}-ray spectrometry. However, the lack of common benchmarks, including datasets,…

Machine Learning · Computer Science 2025-08-13 Dinh Triem Phan , Jérôme Bobin , Cheick Thiam , Christophe Bobin

In biological research machine learning algorithms are part of nearly every analytical process. They are used to identify new insights into biological phenomena, interpret data, provide molecular diagnosis for diseases and develop…

Raman spectroscopy is a powerful and non-invasive method for analysis of chemicals and detection of unknown substances. However, Raman signal is so weak that background noise can distort the actual Raman signal. These baseline shifts that…

Signal Processing · Electrical Eng. & Systems 2021-04-28 M. Hamed Mozaffari , Li-Lin Tay

In the last few decades, the development of miniature biological sensors that can detect and measure different phenomena at the nanoscale has led to transformative disease diagnosis and treatment techniques. Among others, biofunctional…

Systems and Control · Computer Science 2017-12-05 Hongzhi Guo , Josep Miquel Jornet , Qiaoqiang Gan , Zhi Sun

Raman spectroscopy enables non-destructive, label-free imaging with unprecedented molecular contrast but is limited by slow data acquisition, largely preventing high-throughput imaging applications. Here, we present a comprehensive…

Image and Video Processing · Electrical Eng. & Systems 2021-12-02 Conor C. Horgan , Magnus Jensen , Anika Nagelkerke , Jean-Phillipe St-Pierre , Tom Vercauteren , Molly M. Stevens , Mads S. Bergholt

Automatic detection of brain neoplasm in Magnetic Resonance Imaging (MRI) is gaining importance in many medical diagnostic applications. This report presents two improvements for brain neoplasm detection in MRI data: an advanced…

Computer Vision and Pattern Recognition · Computer Science 2021-01-26 Nilanjan Sinhababu , Monalisa Sarma , Debasis Samanta