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The accuracy of machine learning interatomic potentials suffers from reference data that contains numerical noise. Often originating from unconverged or inconsistent electronic-structure calculations, this noise is challenging to identify.…

Machine Learning · Statistics 2026-02-10 Terry C. W. Lam , Niamh O'Neill , Christoph Schran , Lars L. Schaaf

This paper presents a novel anomaly and outlier detection algorithm from the SPINEX (Similarity-based Predictions with Explainable Neighbors Exploration) family. This algorithm leverages the concept of similarity and higher-order…

Machine Learning · Computer Science 2024-07-09 MZ Naser , Ahmed Z Naser

Outlier detection is an integral part of robust evaluation for crowdsourceable Quality of Experience (QoE) and has attracted much attention in recent years. In QoE for multimedia, outliers happen because of different test conditions, human…

Multimedia · Computer Science 2014-10-23 Qianqian Xu , Ming Yan , Yuan Yao

Due to the intractability of characterizing everything that looks unlike the normal data, anomaly detection (AD) is traditionally treated as an unsupervised problem utilizing only normal samples. However, it has recently been found that…

Computer Vision and Pattern Recognition · Computer Science 2023-01-29 Philipp Liznerski , Lukas Ruff , Robert A. Vandermeulen , Billy Joe Franks , Klaus-Robert Müller , Marius Kloft

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical…

Machine Learning · Computer Science 2022-10-21 Jingyang Zhang , Nathan Inkawhich , Randolph Linderman , Yiran Chen , Hai Li

A new anomaly detection method called kernel outlier detection (KOD) is proposed. It is designed to address challenges of outlier detection in high-dimensional settings. The aim is to overcome limitations of existing methods, such as…

Machine Learning · Computer Science 2025-07-01 Can Hakan Dağıdır , Mia Hubert , Peter J. Rousseeuw

With predictive models becoming prevalent, companies are expanding the types of data they gather. As a result, the collected datasets consist not only of simple numerical features but also more complex objects such as time series, images,…

Machine Learning · Computer Science 2025-07-01 Sebastian Chwilczyński , Dariusz Brzezinski

In unsupervised outlier ensembles, the absence of ground truth makes the combination of base outlier detectors a challenging task. Specifically, existing parallel outlier ensembles lack a reliable way of selecting competent base detectors,…

Machine Learning · Computer Science 2019-09-24 Yue Zhao , Zain Nasrullah , Maciej K. Hryniewicki , Zheng Li

In this paper, we propose a novel approach for outlier detection, called local projections, which is based on concepts of Local Outlier Factor (LOF) (Breunig et al., 2000) and RobPCA (Hubert et al., 2005). By using aspects of both methods,…

Outlier detection is a well-researched and crucial problem in machine learning. However, there is little research on string data outlier detection, as most literature focuses on outlier detection of numerical data. A robust string data…

Machine Learning · Computer Science 2026-03-13 Philip Maus

Uncertainty quantification (UQ) to detect samples with large expected errors (outliers) is applied to reactive molecular potential energy surfaces (PESs). Three methods - Ensembles, Deep Evidential Regression (DER), and Gaussian Mixture…

Chemical Physics · Physics 2024-02-28 Luis Itza Vazquez-Salazar , Silvan Käser , Markus Meuwly

Recognition of anomalous events is a challenging but critical task in many scientific and industrial fields, especially when the properties of anomalies are unknown. In this paper, we introduce a new anomaly concept called "unicorn" or…

Machine Learning · Computer Science 2022-01-13 Zsigmond Benkő , Tamás Bábel , Zoltán Somogyvári

The growing scale and sophistication of cyberattacks pose critical challenges to network security, particularly in detecting diverse intrusion types within imbalanced datasets. Traditional intrusion detection systems (IDS) often struggle to…

Cryptography and Security · Computer Science 2025-11-25 Nisith Dissanayake , Uthayasanker Thayasivam

It has become routine in neuroscience studies to measure brain networks for different individuals using neuroimaging. These networks are typically expressed as adjacency matrices, with each cell containing a summary of connectivity between…

Methodology · Statistics 2022-06-30 Pritam Dey , Zhengwu Zhang , David B. Dunson

Outlier detection and concept drift detection represent two challenges in data analysis. Most studies address these issues separately. However, joint detection mechanisms in regression remain underexplored, where the continuous nature of…

Methodology · Statistics 2025-12-16 Bingbing Wang , Shengyan Sun , Jiaqi Wang , Yu Tang

Finding rare information hidden in a huge amount of data from the Internet is a necessary but complex issue. Many researchers have studied this issue and have found effective methods to detect anomaly data in low dimensional space. However,…

Artificial Intelligence · Computer Science 2014-05-07 Zhana Bao

Detecting out-of-distribution (OOD) samples is essential when deploying machine learning models in open-world scenarios. Zero-shot OOD detection, requiring no training on in-distribution (ID) data, has been possible with the advent of…

Machine Learning · Computer Science 2024-06-04 Chentao Cao , Zhun Zhong , Zhanke Zhou , Yang Liu , Tongliang Liu , Bo Han

We focus on the problem of producing well-calibrated out-of-distribution (OOD) detectors, in order to enable safe deployment of medical image classifiers. Motivated by the difficulty of curating suitable calibration datasets, synthetic…

Computer Vision and Pattern Recognition · Computer Science 2023-04-25 Vivek Narayanaswamy , Yamen Mubarka , Rushil Anirudh , Deepta Rajan , Andreas Spanias , Jayaraman J. Thiagarajan

The impact of outliers and anomalies on model estimation and data processing is of paramount importance, as evidenced by the extensive body of research spanning various fields over several decades: thousands of research papers have been…

Artificial Intelligence · Computer Science 2023-12-13 Madalina Olteanu , Fabrice Rossi , Florian Yger

Outlier detection is an important topic in machine learning and has been used in a wide range of applications. Outliers are objects that are few in number and deviate from the majority of objects. As a result of these two properties, we…

Machine Learning · Computer Science 2022-04-22 Xusheng Du , Enguang Zuo , Zhenzhen He , Jiong Yu