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Neural network potentials (NNPs) combine the computational efficiency of classical interatomic potentials with the high accuracy and flexibility of the ab initio methods used to create the training set, but can also result in unphysical…

Materials Science · Physics 2022-01-24 Leonid Kahle , Federico Zipoli

Deploying deep learning models in safety-critical applications remains a very challenging task, mandating the provision of assurances for the dependable operation of these models. Uncertainty quantification (UQ) methods estimate the model's…

Machine Learning · Computer Science 2024-01-23 Daniel Bethell , Simos Gerasimou , Radu Calinescu

Conformal prediction (CP) can convert any model's output into prediction sets guaranteed to include the true label with any user-specified probability. However, same as the model itself, CP is vulnerable to adversarial test examples…

Machine Learning · Computer Science 2024-07-15 Soroush H. Zargarbashi , Mohammad Sadegh Akhondzadeh , Aleksandar Bojchevski

Post-hoc calibration of pre-trained models is critical for ensuring reliable inference, especially in safety-critical domains such as healthcare. Conformal Prediction (CP) offers a robust post-hoc calibration framework, providing…

Machine Learning · Computer Science 2025-05-22 Haifeng Wen , Hong Xing , Osvaldo Simeone

Survival models are used in various fields, such as the development of cancer treatment protocols. Although many statistical and machine learning models have been proposed to achieve accurate survival predictions, little attention has been…

Machine Learning · Computer Science 2020-03-26 Hrushikesh Loya , Pranav Poduval , Deepak Anand , Neeraj Kumar , Amit Sethi

Conformal prediction (CP) is a framework to quantify uncertainty of machine learning classifiers including deep neural networks. Given a testing example and a trained classifier, CP produces a prediction set of candidate labels with a…

Machine Learning · Computer Science 2023-08-01 Subhankar Ghosh , Yuanjie Shi , Taha Belkhouja , Yan Yan , Jana Doppa , Brian Jones

This study presents a scalable data-driven algorithm designed to efficiently address the challenging problem of reachability analysis. Analysis of cyber-physical systems (CPS) relies typically on parametric physical models of dynamical…

Robotics · Computer Science 2025-05-22 Navid Hashemi , Lars Lindemann , Jyotirmoy Deshmukh

Transmit optimization and resource allocation for wireless cooperative networks with channel state information (CSI) uncertainty are important but challenging problems in terms of both the uncertainty modeling and performance op-…

Information Theory · Computer Science 2014-06-30 Yuanming Shi , Jun Zhang , Khaled B. Letaief

In mobile robotics, scan matching of point clouds using Iterative Closest Point (ICP) allows estimating sensor displacements. It may prove important to assess the associated uncertainty about the obtained rigid transformation, especially…

Robotics · Computer Science 2020-07-16 Martin Brossard , Silvere Bonnabel , Axel Barrau

Most mobile robots for indoor use rely on 2D laser scanners for localization, mapping and navigation. These sensors, however, cannot detect transparent surfaces or measure the full occupancy of complex objects such as tables. Deep Neural…

Robotics · Computer Science 2020-09-04 Francesco Verdoja , Jens Lundell , Ville Kyrki

Conformal prediction is a popular, modern technique for providing valid predictive inference for arbitrary machine learning models. Its validity relies on the assumptions of exchangeability of the data, and symmetry of the given model…

Methodology · Statistics 2023-03-20 Rina Foygel Barber , Emmanuel J. Candes , Aaditya Ramdas , Ryan J. Tibshirani

Conformal Prediction (CP) is a popular framework for constructing prediction bands with valid coverage in finite samples, while being free of any distributional assumption. A well-known limitation of conformal prediction is the lack of…

Machine Learning · Computer Science 2025-05-28 Louis Allain , Sébastien da Veiga , Brian Staber

Detecting uncertainty in large language models (LLMs) is essential for building reliable systems, yet many existing approaches are overly complex and depend on brittle semantic clustering or access to model internals. We introduce Radial…

Machine Learning · Computer Science 2026-04-08 Manh Nguyen , Sunil Gupta , Hung Le

Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Machine Learning · Computer Science 2021-11-04 Jonas Busk , Peter Bjørn Jørgensen , Arghya Bhowmik , Mikkel N. Schmidt , Ole Winther , Tejs Vegge

A fundamental problem in modern supervised learning is computing reliable conditional prediction intervals in high-dimensional settings: existing methods often rely on restrictive modelling assumptions, do not scale as predictor dimension…

Machine Learning · Statistics 2026-02-24 Daniel Salnikov , Dan Leonte , Kevin Michalewicz

Most scientific publications follow the familiar recipe of (i) obtain data, (ii) fit a model, and (iii) comment on the scientific relevance of the effects of particular covariates in that model. This approach, however, ignores the fact that…

Methodology · Statistics 2021-03-08 Nicholas Kissel , Lucas Mentch

Methods for accurate prediction of radio signal quality parameters are crucial for optimization of mobile networks, and a necessity for future autonomous driving solutions. The power-distance relation of current empirical models struggles…

Networking and Internet Architecture · Computer Science 2020-08-19 Jakob Thrane , Benjamin Sliwa , Christian Wietfeld , Henrik Christiansen

Physics-based simulations and learning-based models are vital for complex robotics tasks like deformable object manipulation and liquid handling. However, these models often struggle with accuracy due to epistemic uncertainty or the…

Robotics · Computer Science 2025-07-29 Marco Faroni , Carlo Odesco , Andrea Zanchettin , Paolo Rocco

We propose Bayesian Conformal Prediction (BCP), a framework that combines Bayesian posterior predictive distributions with PAC-style conformal risk control to produce prediction sets with finite-sample coverage guarantees. Standard…

Machine Learning · Computer Science 2026-05-11 Fanyi Wu , Veronika Lohmanova , Samuel Kaski , Michele Caprio

Wireless communications rely on path loss modeling, which is most effective when it includes the physical details of the propagation environment. Acquiring this data has historically been challenging, but geographic information systems data…

Machine Learning · Computer Science 2025-11-19 Jonathan Ethier , Mathieu Chateauvert , Ryan G. Dempsey , Alexis Bose