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The comparison of benchmark error sets is an essential tool for the evaluation of theories in computational chemistry. The standard ranking of methods by their Mean Unsigned Error is unsatisfactory for several reasons linked to the…

Methodology · Statistics 2020-09-29 Pascal Pernot , Andreas Savin

To be considered reliable, a model must be calibrated so that its confidence in each decision closely reflects its true outcome. In this blogpost we'll take a look at the most commonly used definition for calibration and then dive into a…

Methodology · Statistics 2025-09-16 Maja Pavlovic

This study examines the role of uncertainty estimation (UE) methods in multilingual text classification under noisy and non-topical conditions. Using a complex-vs-simple sentence classification task across several languages, we evaluate a…

Computation and Language · Computer Science 2026-03-10 Nouran Khallaf , Serge Sharoff

Background: Over the past few decades, numerous forecasting methods have been proposed in the field of epidemic forecasting. Such methods can be classified into different categories such as deterministic vs. probabilistic, comparative…

Credal predictors are models that are aware of epistemic uncertainty and produce a convex set of probabilistic predictions. They offer a principled way to quantify predictive epistemic uncertainty (EU) and have been shown to improve model…

Machine Learning · Computer Science 2026-02-27 Kaizheng Wang , Ghifari Adam Faza , Fabio Cuzzolin , Siu Lun Chau , David Moens , Hans Hallez

The deployment of safe and trustworthy machine learning systems, and particularly complex black box neural networks, in real-world applications requires reliable and certified guarantees on their performance. The conformal prediction…

Computer Vision and Pattern Recognition · Computer Science 2024-06-14 Paul Melki , Lionel Bombrun , Boubacar Diallo , Jérôme Dias , Jean-Pierre da Costa

Positive--unlabeled (PU) learning considers two samples, a positive set P with observations from only one class and an unlabeled set U with observations from two classes. The goal is to classify observations in U. Class mixture proportion…

Methodology · Statistics 2020-01-13 Zhenfeng Lin , James P. Long

Feature-importance methods show promise in transforming machine learning models from predictive engines into tools for scientific discovery. However, due to data sampling and algorithmic stochasticity, expressive models can be unstable,…

Machine Learning · Statistics 2026-05-29 Joseph Paillard , Angel Reyero Lobo , Denis A. Engemann , Bertrand Thirion

Modeling expressive cross-modal interactions seems crucial in multimodal tasks, such as visual question answering. However, sometimes high-performing black-box algorithms turn out to be mostly exploiting unimodal signals in the data. We…

Computation and Language · Computer Science 2020-10-14 Jack Hessel , Lillian Lee

Classification systems are evaluated in a countless number of papers. However, we find that evaluation practice is often nebulous. Frequently, metrics are selected without arguments, and blurry terminology invites misconceptions. For…

Machine Learning · Computer Science 2024-07-03 Juri Opitz

Most supervised machine learning tasks are subject to irreducible prediction errors. Probabilistic predictive models address this limitation by providing probability distributions that represent a belief over plausible targets, rather than…

Machine Learning · Statistics 2022-10-25 David Widmann , Fredrik Lindsten , Dave Zachariah

A reduced-rank mixed effects model is developed for robust modeling of sparsely observed paired functional data. In this model, the curves for each functional variable are summarized using a few functional principal components, and the…

Methodology · Statistics 2023-08-08 Huiya Zhou , Xiaomeng Yan , Lan Zhou

This study proposes a low-complexity interpretable classification system. The proposed system contains three main modules including feature extraction, feature reduction, and classification. All of them are linear. Thanks to the linear…

Computer Vision and Pattern Recognition · Computer Science 2020-04-15 Tzu-Wei Tseng , Kai-Jiun Yang , C. -C. Jay Kuo , Shang-Ho , Tsai

Unbiased assessment of the predictivity of models learnt by supervised machine-learning methods requires knowledge of the learned function over a reserved test set (not used by the learning algorithm). The quality of the assessment depends,…

Statistics Theory · Mathematics 2022-07-11 Elias Fekhari , Bertrand Iooss , Joseph Muré , Luc Pronzato , Maria-João Rendas

Classification models are very sensitive to data uncertainty, and finding robust classifiers that are less sensitive to data uncertainty has raised great interest in the machine learning literature. This paper aims to construct robust…

Machine Learning · Statistics 2022-03-01 Vali Asimit , Ioannis Kyriakou , Simone Santoni , Salvatore Scognamiglio , Rui Zhu

The recently occurred representation learning make an attractive performance in NLP and complex network, it is becoming a fundamental technology in machine learning and data mining. How to use representation learning to improve the…

Machine Learning · Computer Science 2020-09-30 Yanlin Li , Shi An , Ruisheng Zhang

Unsupervised feature selection aims to identify a compact subset of features that captures the intrinsic structure of data without supervised label. Most existing studies evaluate the performance of methods using the single-label dataset…

Machine Learning · Computer Science 2026-02-10 Gyu-Il Kim , Dae-Won Kim , Jaesung Lee

In an attempt to provide an answer to the increasing criticism against p-values and to bridge the gap between statistical inference and prediction modelling, we introduce the probability of improved prediction (PIP). In general, the PIP is…

Methodology · Statistics 2024-05-28 Olivier Thas , Stijn Jaspers

Anomaly detection is the task of identifying examples that do not behave as expected. Because anomalies are rare and unexpected events, collecting real anomalous examples is often challenging in several applications. In addition, learning…

Machine Learning · Computer Science 2024-05-24 Lorenzo Perini , Maja Rudolph , Sabrina Schmedding , Chen Qiu

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for…

Machine Learning · Computer Science 2020-11-12 Sebastian Raschka