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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

The Residual Congruent Subset (RCS) is a new method for finding outliers in the linear regression setting. Like many other outlier detection procedures, RCS searches for a subset which minimizes a criterion. The difference is that the new…

Methodology · Statistics 2014-02-18 Kaveh Vakili , Eric Schmitt

A set of probabilistic predictions is well calibrated if the events that are predicted to occur with probability p do in fact occur about p fraction of the time. Well calibrated predictions are particularly important when machine learning…

Machine Learning · Statistics 2014-01-14 Mahdi Pakdaman Naeini , Gregory F. Cooper , Milos Hauskrecht

Current deep learning solutions are well known for not informing whether they can reliably classify an example during inference. One of the most effective ways to build more reliable deep learning solutions is to improve their performance…

Machine Learning · Computer Science 2022-08-09 David Macêdo

This paper proposes a novel fast online methodology for outlier detection called the exception maximization outlier detection method(EMODM), which employs probabilistic models and statistical algorithms to detect abnormal patterns from the…

Machine Learning · Statistics 2025-06-03 Zhikun Zhang , Yiting Duan , Xiangjun Wang , Mingyuan Zhang

Improving the retrieval relevance on noisy datasets is an emerging need for the curation of a large-scale clean dataset in the medical domain. While existing methods can be applied for class-wise retrieval (aka. inter-class), they cannot…

Computer Vision and Pattern Recognition · Computer Science 2022-04-08 Xiaoyuan Guo , Jiali Duan , Saptarshi Purkayastha , Hari Trivedi , Judy Wawira Gichoya , Imon Banerjee

The accuracy of machine learning systems is a widely studied research topic. Established techniques such as cross-validation predict the accuracy on unseen data of the classifier produced by applying a given learning method to a given…

Machine Learning · Computer Science 2012-12-06 J. E. Smith , P. Caleb-Solly , M. A. Tahir , D. Sannen , H. van-Brussel

Out-of-distribution (OOD) detection is essential for deploying machine learning models in open-world and safety-critical scenarios, where test inputs may deviate from the training distribution and overconfident predictions on unknown…

Machine Learning · Computer Science 2026-05-28 Fengqiang Wan , Qing-Yuan Jiang , Yang Yang

Detecting test data deviating from training data is a central problem for safe and robust machine learning. Likelihoods learned by a generative model, e.g., a normalizing flow via standard log-likelihood training, perform poorly as an…

Machine Learning · Computer Science 2023-04-28 Robert Schmier , Ullrich Köthe , Christoph-Nikolas Straehle

Multi-label learning draws great interests in many real world applications. It is a highly costly task to assign many labels by the oracle for one instance. Meanwhile, it is also hard to build a good model without diagnosing discriminative…

Machine Learning · Computer Science 2019-04-16 Bo Du , Zengmao Wang , Lefei Zhang , Liangpei Zhang , Dacheng Tao

We consider the problem of transfer learning in outlier detection where target abnormal data is rare. While transfer learning has been considered extensively in traditional balanced classification, the problem of transfer in outlier…

Machine Learning · Computer Science 2025-01-06 Mohammadreza M. Kalan , Eitan J. Neugut , Samory Kpotufe

Anomalies in economic and financial data -- often linked to rare yet impactful events -- are of theoretical interest, but can also severely distort inference. Although outlier-robust methodologies can be used, many researchers prefer…

Methodology · Statistics 2025-09-01 Monica Billio , Roberto Casarin , Fausto Corradin , Antonio Peruzzi

Conformal prediction is a framework for uncertainty quantification that constructs prediction sets for previously unseen data, guaranteeing coverage of the true label with a specified probability. However, the efficiency of these prediction…

Machine Learning · Computer Science 2026-01-06 Erfan Hajihashemi , Yanning Shen

Cybersecurity has recently gained considerable interest in today's security issues because of the popularity of the Internet-of-Things (IoT), the considerable growth of mobile networks, and many related apps. Therefore, detecting numerous…

In machine learning, it is commonly assumed that training and test data share the same population distribution. However, this assumption is often violated in practice because the sample selection bias may induce the distribution shift from…

Machine Learning · Computer Science 2020-06-09 Kun Kuang , Hengtao Zhang , Fei Wu , Yueting Zhuang , Aijun Zhang

Anomaly detection is to recognize samples that differ in some respect from the training observations. These samples which do not conform to the distribution of normal data are called outliers or anomalies. In real-world anomaly detection…

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

High-dimensional data poses unique challenges in outlier detection process. Most of the existing algorithms fail to properly address the issues stemming from a large number of features. In particular, outlier detection algorithms perform…

Machine Learning · Computer Science 2020-09-22 Firuz Kamalov , Ho Hon Leung

Outlier detection and cleaning are essential steps in data preprocessing to ensure the integrity and validity of data analyses. This paper focuses on outlier points within individual trajectories, i.e., points that deviate significantly…

Databases · Computer Science 2025-11-26 Mariana M Garcez Duarte , Mahmoud Sakr

We derive a convex optimization problem for the task of segmenting sequential data, which explicitly treats presence of outliers. We describe two algorithms for solving this problem, one exact and one a top-down novel approach, and we…

Machine Learning · Computer Science 2014-11-19 Itamar Katz , Koby Crammer

In this work, we revisit outlier hypothesis testing and propose exponentially consistent, low-complexity fixed-length tests that achieve a better tradeoff between detection performance and computational complexity than existing…

Signal Processing · Electrical Eng. & Systems 2026-01-28 Lina Zhu , Lin Zhou