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Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

Anomalies are samples that significantly deviate from the rest of the data and their detection plays a major role in building machine learning models that can be reliably used in applications such as data-driven design and novelty…

Machine Learning · Statistics 2023-06-19 Amin Yousefpour , Mehdi Shishehbor , Zahra Zanjani Foumani , Ramin Bostanabad

Metric learning aims to learn a distance metric such that semantically similar instances are pulled together while dissimilar instances are pushed away. Many existing methods consider maximizing or at least constraining a distance margin in…

Machine Learning · Statistics 2022-08-17 Xiaochen Yang , Yiwen Guo , Mingzhi Dong , Jing-Hao Xue

Accurately interpreting cardiac auscultation signals plays a crucial role in diagnosing and managing cardiovascular diseases. However, the paucity of labelled data inhibits classification models' training. Researchers have turned to…

Sound · Computer Science 2025-06-18 Leigh Abbott , Milan Marocchi , Matthew Fynn , Yue Rong , Sven Nordholm

One-class anomaly detection aims to detect objects that do not belong to a predefined normal class. In practice training data lack those anomalous samples; hence state-of-the-art methods are trained to discriminate between normal and…

Computer Vision and Pattern Recognition · Computer Science 2025-03-10 Romain Hermary , Vincent Gaudillière , Abd El Rahman Shabayek , Djamila Aouada

Machine learning is a powerful method for modeling in different fields such as education. Its capability to accurately predict students' success makes it an ideal tool for decision-making tasks related to higher education. The accuracy of…

Machine Learning · Computer Science 2021-05-03 Leila Zahedi , Farid Ghareh Mohammadi , Shabnam Rezapour , Matthew W. Ohland , M. Hadi Amini

In recent years, Artificial Intelligence techniques have proved to be very successful when applied to problems in physical sciences. Here we apply an unsupervised Machine Learning (ML) algorithm called Principal Component Analysis (PCA) as…

Materials Science · Physics 2021-05-26 T. Tula , G. Möller , J. Quintanilla , S. R. Giblin , A. D. Hillier , E. E. McCabe , S. Ramos , D. S. Barker , S. Gibson

Machine learning techniques can automatically identify outliers in massive datasets, much faster and more reproducible than human inspection ever could. But finding such outliers immediately leads to the question: which features render this…

Machine Learning · Computer Science 2023-11-01 Jeff Shen , Peter Melchior

We can often verify the correctness of neural network outputs using ground truth labels, but we cannot reliably determine whether the output was produced by normal or anomalous internal mechanisms. Mechanistic anomaly detection (MAD) aims…

Machine Learning · Computer Science 2026-05-26 Hugo Lyons Keenan , Christopher Leckie , Sarah Erfani

While state-of-the-art Deep Neural Network (DNN) models are considered to be robust to random perturbations, it was shown that these architectures are highly vulnerable to deliberately crafted perturbations, albeit being…

Machine Learning · Computer Science 2021-06-03 Omer Faruk Tuna , Ferhat Ozgur Catak , M. Taner Eskil

When pre-processing observational data via matching, we seek to approximate each unit with maximally similar peers that had an alternative treatment status--essentially replicating a randomized block design. However, as one considers a…

Econometrics · Economics 2019-05-30 Gentry Johnson , Brian Quistorff , Matt Goldman

We introduce tests for the goodness of fit of point patterns via methods from topological data analysis. More precisely, the persistent Betti numbers give rise to a bivariate functional summary statistic for observed point patterns that is…

Statistics Theory · Mathematics 2019-06-19 Christophe Ange Napoléon Biscio , Nicolas Chenavier , Christian Hirsch , Anne Marie Svane

Threshold selection is a critical issue for extreme value analysis with threshold-based approaches. Under suitable conditions, exceedances over a high threshold have been shown to follow the generalized Pareto distribution (GPD)…

Methodology · Statistics 2018-06-13 Brian Bader , Jun Yan , Xuebin Zhang

Amplitude estimation algorithms are based on Grover's algorithm: alternating reflections about the input state and the desired outcome. But what if we are given the ability to perform arbitrary rotations, instead of just reflections? In…

Quantum Physics · Physics 2023-03-08 Patrick Rall , Bryce Fuller

The rapid development of machine learning (ML) and artificial intelligence (AI) applications requires the training of large numbers of models. This growing demand highlights the importance of training models without human supervision, while…

Machine Learning · Computer Science 2025-05-26 Alexey Boldyrev , Fedor Ratnikov , Andrey Shevelev

This paper proposes an adaptive penalized weighted mean regression for outlier detection of high-dimensional data. In comparison to existing approaches based on the mean shift model, the proposed estimators demonstrate robustness against…

Statistics Theory · Mathematics 2023-06-27 Jiaqi Li , Linglong Kong , Bei Jiang , Wei Tu

Standard adversarial training approaches suffer from robust overfitting where the robust accuracy decreases when models are adversarially trained for too long. The origin of this problem is still unclear and conflicting explanations have…

Machine Learning · Computer Science 2022-11-28 Muhammad Zaid Hameed , Beat Buesser

The prompt and accurate detection of faults and abnormalities in electric transmission lines is a critical challenge in smart grid systems. Existing methods mostly rely on model-based approaches, which may not capture all the aspects of…

Machine Learning · Computer Science 2020-09-16 Peyman Tehrani , Marco Levorato

The reliability of a learning model is key to the successful deployment of machine learning in various applications. However, it is difficult to describe the phenomenon due to the complicated nature of the problems in machine learning. It…

Machine Learning · Computer Science 2025-05-27 Ramin Barati , Reza Safabakhsh , Mohammad Rahmati

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel…

Machine Learning · Statistics 2023-07-14 Jerome Baum , Heishiro Kanagawa , Arthur Gretton