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The atomic lensing model has been proposed as a promising method facilitating atom-counting in heterogeneous nanocrystals [KHW van den Bos et. al, Phys. Rev. Lett. 116 (2016) 246101] Here, image simulations will validate the model, which…

Materials Science · Physics 2019-02-18 K. H. W. van den Bos , L. Janssens , A. De Backer , P. D. Nellist , S. Van Aert

In this paper we present a method for learning the parameters of a mixture of $k$ identical spherical Gaussians in $n$-dimensional space with an arbitrarily small separation between the components. Our algorithm is polynomial in all…

Machine Learning · Computer Science 2010-05-14 Mikhail Belkin , Kaushik Sinha

Anomaly detection is referred to as a process in which the aim is to detect data points that follow a different pattern from the majority of data points. Anomaly detection methods suffer from several well-known challenges that hinder their…

Machine Learning · Computer Science 2021-08-31 Kasra Babaei , Zhi Yuan Chen , Tomas Maul

Anomaly detection has been an active research area with a wide range of potential applications. Key challenges for anomaly detection in the AI era with big data include lack of prior knowledge of potential anomaly types, highly complex and…

Machine Learning · Computer Science 2022-02-14 Haoyang Cao , Xin Guo , Guan Wang

We investigate the possibilities of employing dictionary learning to address the requirements of most anomaly detection applications, such as absence of supervision, online formulations, low false positive rates. We present new results of…

Machine Learning · Computer Science 2022-06-10 Paul Irofti , Andra Băltoiu

Stochastic gradient algorithms are the main focus of large-scale optimization problems and led to important successes in the recent advancement of the deep learning algorithms. The convergence of SGD depends on the careful choice of…

Machine Learning · Computer Science 2017-03-03 Caglar Gulcehre , Jose Sotelo , Marcin Moczulski , Yoshua Bengio

This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial properties of atomic-scale structures. We focus on Gaussian…

Chemical Physics · Physics 2019-04-04 Andrea Grisafi , David M. Wilkins , Michael J. Willatt , Michele Ceriotti

Ensembling word embeddings to improve distributed word representations has shown good success for natural language processing tasks in recent years. These approaches either carry out straightforward mathematical operations over a set of…

Computation and Language · Computer Science 2018-08-14 James O' Neill , Danushka Bollegala

Density based representations of atomic environments that are invariant under Euclidean symmetries have become a widely used tool in the machine learning of interatomic potentials, broader data-driven atomistic modelling and the…

Anomaly detection (AD) in images, identifying significant deviations from normality, is a critical issue in computer vision. This paper introduces a novel approach to dimensionality reduction for AD using pre-trained convolutional neural…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Tetiana Gula , João P C Bertoldo

The detection and the quantification of anomalies in image data are critical tasks in industrial scenes such as detecting micro scratches on product. In recent years, due to the difficulty of defining anomalies and the limit of correcting…

Computer Vision and Pattern Recognition · Computer Science 2018-11-08 Masanari Kimura , Takashi Yanagihara

Methods for anomaly detection of new physics processes are often limited to low-dimensional spaces due to the difficulty of learning high-dimensional probability densities. Particularly at the constituent level, incorporating desirable…

High Energy Physics - Phenomenology · Physics 2024-03-06 Vinicius Mikuni , Benjamin Nachman

Anomaly detection is to identify samples that do not conform to the distribution of the normal data. Due to the unavailability of anomalous data, training a supervised deep neural network is a cumbersome task. As such, unsupervised methods…

Computer Vision and Pattern Recognition · Computer Science 2022-07-05 Vahid Reza Khazaie , Anthony Wong , John Taylor Jewell , Yalda Mohsenzadeh

Structured optimization uses a prescribed set of atoms to assemble a solution that fits a model to data. Polarity, which extends the familiar notion of orthogonality from linear sets to general convex sets, plays a special role in a simple…

Optimization and Control · Mathematics 2019-12-12 Zhenan Fan , Halyun Jeong , Yifan Sun , Michael P. Friedlander

Anomaly detection focuses on identifying samples that deviate from the norm. Discovering informative representations of normal samples is crucial to detecting anomalies effectively. Recent self-supervised methods have successfully learned…

Machine Learning · Computer Science 2025-09-22 Alain Ryser , Thomas M. Sutter , Alexander Marx , Julia E. Vogt

Anomaly detection is a crucial task in machine learning that involves identifying unusual patterns or events in data. It has numerous applications in various domains such as finance, healthcare, and cybersecurity. With the advent of quantum…

Quantum Physics · Physics 2023-11-07 Julien Mellaerts

Anomaly detection is facing with emerging challenges in many important industry domains, such as cyber security and online recommendation and advertising. The recent trend in these areas calls for anomaly detection on time-evolving data…

Machine Learning · Computer Science 2019-07-16 Zheng Gao , Lin Guo , Chi Ma , Xiao Ma , Kai Sun , Hang Xiang , Xiaoqiang Zhu , Hongsong Li , Xiaozhong Liu

Current instance segmentation models achieve high performance on average predictions, but lack principled uncertainty quantification: their outputs are not calibrated, and there is no guarantee that a predicted mask is close to the ground…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Kerri Lu , Dan M. Kluger , Stephen Bates , Sherrie Wang

Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of their atomic constituents. Many types of models rely on…

Machine Learning · Statistics 2022-06-08 Jigyasa Nigam , Sergey Pozdnyakov , Guillaume Fraux , Michele Ceriotti

The goal of anomaly detection is to identify observations that are generated by a distribution that differs from the reference distribution that qualifies normal behavior. When examining a time series, the reference distribution may evolve…

Methodology · Statistics 2024-07-23 Etienne Krönert , Dalila Hattab , Alain Celisse