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Mechanical exfoliation of graphene and its identification by optical inspection is one of the milestones in condensed matter physics that sparked the field of 2D materials. Finding regions of interest from the entire sample space and…

Materials Science · Physics 2022-09-19 Woon Hyung Cho , Jiseon Shin , Young Duck Kim , George J. Jung

Raman spectroscopy is a widely-used non-destructive material characterization method, which provides information about the vibrational modes of the material and therefore of its atomic structure and chemical composition. Interpretation of…

Computational Physics · Physics 2023-02-09 Mohammad Bagheri , Hannu-Pekka Komsa

Graph Neural Networks (GNNs) exploit signals from node features and the input graph topology to improve node classification task performance. However, these models tend to perform poorly on heterophilic graphs, where connected nodes have…

Machine Learning · Computer Science 2021-12-08 Vijay Lingam , Chanakya Ekbote , Manan Sharma , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

In chemical processing and bioprocessing, conventional online sensors are limited to measure only basic process variables like pressure and temperature, pH, dissolved O and CO$_2$ and viable cell density (VCD). The concentration of other…

Quantitative Methods · Quantitative Biology 2020-05-07 Semion Rozov

Graph spectral analysis can yield meaningful embeddings of graphs by providing insight into distributed features not directly accessible in nodal domain. Recent efforts in graph signal processing have proposed new decompositions-e.g., based…

Machine Learning · Computer Science 2019-03-07 Miljan Petrović , Thomas A. W. Bolton , Maria Giulia Preti , Raphaël Liégeois , Dimitri Van De Ville

Graph classification is a significant problem in many scientific domains. It addresses tasks such as the classification of proteins and chemical compounds into categories according to their functions, or chemical and structural properties.…

Machine Learning · Computer Science 2019-02-25 Marcelo Daniel Gutierrez Mallea , Peter Meltzer , Peter J Bentley

Diagnosing deep neural networks (DNNs) by analyzing the eigenspectrum of their weights has been an active area of research in recent years. One of the main approaches involves measuring the heavytailness of the empirical spectral densities…

Machine Learning · Computer Science 2025-08-19 Yuanzhe Hu , Kinshuk Goel , Vlad Killiakov , Yaoqing Yang

Graphene layers placed on SrTiO3 single-crystal substrates were investigated using temperature-dependent confocal Raman spectroscopy. This approach successfully resolved distinct Raman modes of graphene that are often untraceable in…

Materials Science · Physics 2022-09-22 S. Shrestha , C. S. Chang , S. Lee , N. L. Kothalawala , D. Y. Kim , M. Minola , J. Kim , A. Seo

Photonic spectrographs offer a highly miniaturized, flexible, and stable on-chip solution for astronomical spectroscopy and can be used for various science cases such as determining the atmospheric composition of exoplanets to understand…

Instrumentation and Methods for Astrophysics · Physics 2022-03-22 Marcos Perez , Pradip Gatkine , Nemanja Jovanovic , Jeffrey Jewell , J. Kent Wallace , Dimitri Mawet

Nanofibers functionalized by metal nanostructures and particles are exploited as effective flexible substrates for SERS analysis. Their complex three-dimensional structure may provide Raman signals enhanced by orders of magnitude compared…

Materials Science · Physics 2016-03-16 A. Camposeo , D. Spadaro , D. Magrì , M. Moffa , P. G. Gucciardi , L. Persano , O. M. Maragò , D. Pisignano

Surface-enhanced Raman spectroscopy (SERS) is a sensitive label-free optical method that can provide fingerprint Raman spectra of biomolecules such as DNA, amino acids and proteins. While SERS of single DNA molecule has been recently…

Learning meaningful graphs from data plays important roles in many data mining and machine learning tasks, such as data representation and analysis, dimension reduction, data clustering, and visualization, etc. In this work, for the first…

Machine Learning · Computer Science 2020-07-30 Yongyu Wang , Zhiqiang Zhao , Zhuo Feng

Graph Representation Learning (GRL) has become essential for modern graph data mining and learning tasks. GRL aims to capture the graph's structural information and exploit it in combination with node and edge attributes to compute…

Machine Learning · Computer Science 2021-09-08 Marinos Poiitis , Pavlos Sermpezis , Athena Vakali

Prostate cancer is a disease which poses an interesting clinical question: should it be treated? A small subset of prostate cancers are aggressive and require removal and treatment to prevent metastatic spread. However, conventional…

Quantitative Methods · Quantitative Biology 2024-03-14 Daniel West , Susan Stepney , Y. Hancock

In deep neural networks, better results can often be obtained by increasing the complexity of previously developed basic models. However, it is unclear whether there is a way to boost performance by decreasing the complexity of such models.…

Machine Learning · Computer Science 2022-06-07 Junran Wu , Shangzhe Li , Jianhao Li , Yicheng Pan , Ke Xu

With recent advancements in graph neural networks (GNNs), spectral GNNs have received increasing popularity by virtue of their ability to retrieve graph signals in the spectral domain. These models feature uniqueness in efficient…

Machine Learning · Computer Science 2025-08-21 Ningyi Liao , Haoyu Liu , Zulun Zhu , Siqiang Luo , Laks V. S. Lakshmanan

Brain connectomes offer detailed maps of neural connections within the brain. Recent studies have proposed novel connectome graph datasets and attempted to improve connectome classification by using graph deep learning. With recent advances…

Machine Learning · Computer Science 2025-03-21 Jose Lara-Rangel , Clare Heinbaugh

Raman spectroscopy provides a vibrational profile of the molecules and thus can be used to uniquely identify different kind of materials. This sort of fingerprinting molecules has thus led to widespread application of Raman spectrum in…

Different types of spectroscopies, such as X-ray absorption near edge structure (XANES) and Raman spectroscopy, play a very important role in analyzing the characteristics of different materials. In scientific literature, XANES/Raman data…

Computer Vision and Pattern Recognition · Computer Science 2021-07-08 Weixin Jiang , Eric Schwenker , Trevor Spreadbury , Kai Li , Maria K. Y. Chan , Oliver Cossairt

Raman spectroscopy is a powerful analytical tool with applications ranging from quality control to cutting edge biomedical research. One particular area which has seen tremendous advances in the past decade is the development of powerful…

Signal Processing · Electrical Eng. & Systems 2020-06-19 M. Hamed Mozaffari , Li-Lin Tay