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Machine-learning models are increasingly used to predict properties of atoms in chemical systems. There have been major advances in developing descriptors and regression frameworks for this task, typically starting from (relatively) small…

Chemical Physics · Physics 2022-11-30 John L. A. Gardner , Zoé Faure Beaulieu , Volker L. Deringer

As one of the most challenging and practical segmentation tasks, open-world semantic segmentation requires the model to segment the anomaly regions in the images and incrementally learn to segment out-of-distribution (OOD) objects,…

Computer Vision and Pattern Recognition · Computer Science 2022-05-18 Hexin Dong , Zifan Chen , Mingze Yuan , Yutong Xie , Jie Zhao , Fei Yu , Bin Dong , Li Zhang

Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within…

Materials Science · Physics 2020-07-15 A. Taghizadeh , U. Leffers , T. G. Pedersen , K. S. Thygesen

Raman spectroscopy is an important characterization tool with diverse applications in many areas of research. We propose a machine learning method for predicting polarizabilities with the goal of providing Raman spectra from molecular…

Materials Science · Physics 2024-02-02 Manuel Grumet , Clara von Scarpatetti , Tomáš Bučko , David A. Egger

In the traditional framework of spectral learning of stochastic time series models, model parameters are estimated based on trajectories of fully recorded observations. However, real-world time series data often contain missing values, and…

Machine Learning · Computer Science 2018-10-22 Tianlin Liu

Raman spectroscopy serves as a powerful and reliable tool for analyzing the chemical information of substances. The integration of Raman spectroscopy with deep learning methods enables rapid qualitative and quantitative analysis of…

Signal Processing · Electrical Eng. & Systems 2025-04-24 Pengju Ren , Ri-gui Zhou , Yaochong Li

Exosomes are small vesicles crucial for cell signaling and disease biomarkers. Due to their complexity, an "omics" approach is preferable to individual biomarkers. While Raman spectroscopy is effective for exosome analysis, it requires high…

Quantitative Methods · Quantitative Biology 2025-04-23 Vuong M. Ngo , Edward Bolger , Stan Goodwin , John O'Sullivan , Dinh Viet Cuong , Mark Roantree

In conventional supervised learning, a training dataset is given with ground-truth labels from a known label set, and the learned model will classify unseen instances to known labels. This paper studies a new problem setting in which there…

Machine Learning · Computer Science 2024-06-03 Peng Zhao , Jia-Wei Shan , Yu-Jie Zhang , Zhi-Hua Zhou

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

Open set recognition requires a classifier to detect samples not belonging to any of the classes in its training set. Existing methods fit a probability distribution to the training samples on their embedding space and detect outliers…

Computer Vision and Pattern Recognition · Computer Science 2020-08-05 Hongjie Zhang , Ang Li , Jie Guo , Yanwen Guo

In recent years Deep Neural Network-based systems are not only increasing in popularity but also receive growing user trust. However, due to the closed-world assumption of such systems, they cannot recognize samples from unknown classes and…

Machine Learning · Computer Science 2025-01-15 Joanna Komorniczak , Pawel Ksieniewicz

We present an end-to-end framework for fast retraining of object detection models in human-robot-collaboration. Our Faster R-CNN based setup covers the whole workflow of automatic image generation and labeling, model retraining on-site as…

Computer Vision and Pattern Recognition · Computer Science 2022-04-04 Manuela Geiß , Martin Baresch , Georgios Chasparis , Edwin Schweiger , Nico Teringl , Michael Zwick

In search, exploration, and reconnaissance tasks performed with autonomous ground vehicles, an image classification capability is needed for specifically identifying targeted objects (relevant classes) and at the same time recognize when a…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Spiridon Kasapis , Geng Zhang , Jonathon Smereka , Nickolas Vlahopoulos

Classification is a fundamental task in machine learning and data mining. Existing classification methods are designed to classify unknown instances within a set of previously known training classes. Such a classification takes the form of…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

This study presents a collection of physical devices and software services that fully automate Raman spectra measurements for liquid samples within a robotic facility. This method is applicable to various fields, with demonstrated efficacy…

Deep neural networks have made breakthroughs in a wide range of visual understanding tasks. A typical challenge that hinders their real-world applications is that unknown samples may be fed into the system during the testing phase, but…

Computer Vision and Pattern Recognition · Computer Science 2021-02-10 Xin Sun , Chi Zhang , Guosheng Lin , Keck-Voon Ling

Open world object detection aims at detecting objects that are absent in the object classes of the training data as unknown objects without explicit supervision. Furthermore, the exact classes of the unknown objects must be identified…

Computer Vision and Pattern Recognition · Computer Science 2022-12-07 Na Dong , Yongqiang Zhang , Mingli Ding , Gim Hee Lee

The human ability to recognize when an object belongs or does not belong to a particular vision task outperforms all open set recognition algorithms. Human perception as measured by the methods and procedures of visual psychophysics from…

Computer Vision and Pattern Recognition · Computer Science 2023-04-26 Jin Huang , Derek Prijatelj , Justin Dulay , Walter Scheirer

We propose and demonstrate a novel technique that combines Raman scattering and optical cycling in molecules with diagonal Franck-Condon factors. This resonance Raman optical cycling manipulates molecules to behave like efficient…

Atomic Physics · Physics 2021-08-26 J. C. Shaw , J. C. Schnaubelt , D. J. McCarron

As we enter into the big data age and an avalanche of images have become readily available, recognition systems face the need to move from close, lab settings where the number of classes and training data are fixed, to dynamic scenarios…

Computer Vision and Pattern Recognition · Computer Science 2016-04-11 Rocco De Rosa , Thomas Mensink , Barbara Caputo
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