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Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Few-shot learning has been proposed and rapidly emerging as a viable means for completing various tasks. Many few-shot models have been widely used for relation learning tasks. However, each of these models has a shortage of capturing a…

Computation and Language · Computer Science 2021-05-26 Qing Lin , Yongbin Liu , Wen Wen , Zhihua Tao

Electroencephalography (EEG) signals are frequently used for various Brain-Computer Interface (BCI) tasks. While Deep Learning (DL) techniques have shown promising results, they are hindered by the substantial data requirements. By…

Signal Processing · Electrical Eng. & Systems 2024-05-24 Bruna Junqueira , Bruno Aristimunha , Sylvain Chevallier , Raphael Y. de Camargo

Incremental Learning is well known machine learning approach wherein the weights of the learned model are dynamically and gradually updated to generalize on new unseen data without forgetting the existing knowledge. Incremental learning…

Computer Vision and Pattern Recognition · Computer Science 2018-07-25 Pratyush Kumar , Muktabh Mayank Srivastava

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

Machine learning systems may encounter unexpected problems when the data distribution changes in the deployment environment. A major reason is that certain combinations of domains and labels are not observed during training but appear in…

Machine Learning · Computer Science 2022-08-04 Yivan Zhang , Jindong Wang , Xing Xie , Masashi Sugiyama

Uncertainty estimation is critical for reliable medical image segmentation, particularly in retinal vessel analysis, where accurate predictions are essential for diagnostic applications. Deep Ensembles, where multiple networks are trained…

Computer Vision and Pattern Recognition · Computer Science 2025-09-16 Jeremiah Fadugba , Petru Manescu , Bolanle Oladejo , Delmiro Fernandez-Reyes , Philipp Berens

Deep learning (DL) powered biomedical ultrasound imaging is an emerging research field where researchers adapt the image analysis capabilities of DL algorithms to biomedical ultrasound imaging settings. A major roadblock to wider adoption…

Image and Video Processing · Electrical Eng. & Systems 2023-01-16 Ufuk Soylu , Michael L. Oelze

Emulator embedded neural networks, which are a type of physics informed neural network, leverage multi-fidelity data sources for efficient design exploration of aerospace engineering systems. Multiple realizations of the neural network…

Machine Learning · Computer Science 2023-09-14 Atticus Beachy , Harok Bae , Jose Camberos , Ramana Grandhi

Uncertainty-aware deep learning (DL) models recently gained attention in fault diagnosis as a way to promote the reliable detection of faults when out-of-distribution (OOD) data arise from unseen faults (epistemic uncertainty) or the…

Machine Learning · Computer Science 2024-12-30 Reza Jalayer , Masoud Jalayer , Andrea Mor , Carlotta Orsenigo , Carlo Vercellis

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

In terms of accuracy, deep learning (DL) models have had considerable success in classification problems for medical imaging applications. However, it is well-known that the outputs of such models, which typically utilise the SoftMax…

Image and Video Processing · Electrical Eng. & Systems 2023-02-28 Tareen Dawood , Emily Chan , Reza Razavi , Andrew P. King , Esther Puyol-Anton

This paper questions the effectiveness of a modern predictive uncertainty quantification approach, called \emph{evidential deep learning} (EDL), in which a single neural network model is trained to learn a meta distribution over the…

Machine Learning · Computer Science 2024-11-04 Maohao Shen , J. Jon Ryu , Soumya Ghosh , Yuheng Bu , Prasanna Sattigeri , Subhro Das , Gregory W. Wornell

The ensemble of deep neural networks has been shown, both theoretically and empirically, to improve generalization accuracy on the unseen test set. However, the high training cost hinders its efficiency since we need a sufficient number of…

Machine Learning · Computer Science 2021-12-28 Wentao Zhang , Jiawei Jiang , Yingxia Shao , Bin Cui

This proposes a novel ensemble deep learning-based model to accurately classify, detect and localize different defect categories for aggressive pitches and thin resists (High NA applications).In particular, we train RetinaNet models using…

Image and Video Processing · Electrical Eng. & Systems 2022-06-29 Bappaditya Deya , Dipam Goswamif , Sandip Haldera , Kasem Khalilb , Philippe Leraya , Magdy A. Bayoumi

The exponential growth of volume, variety and velocity of data is raising the need for investigations of automated or semi-automated ways to extract useful patterns from the data. It requires deep expert knowledge and extensive…

Machine Learning · Computer Science 2020-07-22 Abbas Raza Ali , Marcin Budka , Bogdan Gabrys

Maximum likelihood (ML) learning for energy-based models (EBMs) is challenging, partly due to non-convergence of Markov chain Monte Carlo.Several variations of ML learning have been proposed, but existing methods all fail to achieve both…

Machine Learning · Statistics 2023-04-24 Xinwei Zhang , Zhiqiang Tan , Zhijian Ou

A core problem in machine learning is to learn expressive latent variables for model prediction on complex data that involves multiple sub-components in a flexible and interpretable fashion. Here, we develop an approach that improves…

Machine Learning · Computer Science 2024-02-13 Yi-Lin Tuan , Zih-Yun Chiu , William Yang Wang

Motivation: Tumor classification using Imaging Mass Spectrometry (IMS) data has a high potential for future applications in pathology. Due to the complexity and size of the data, automated feature extraction and classification steps are…

Machine Learning · Statistics 2018-06-28 Jens Behrmann , Christian Etmann , Tobias Boskamp , Rita Casadonte , Jörg Kriegsmann , Peter Maass

As deep learning-based computer vision algorithms continue to advance the state of the art, their robustness to real-world data continues to be an issue, making it difficult to bring an algorithm from the lab to the real world.…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Michael Smith , Frank Ferrie
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