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The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

Despite the growing demand for eliciting uncertainty from large language models (LLMs), empirical evidence suggests that LLM behavior is not always adequately captured by the elicitation techniques developed under the classical…

Artificial Intelligence · Computer Science 2026-03-12 Anita Yang , Krikamol Muandet , Michele Caprio , Siu Lun Chau , Masaki Adachi

Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on…

Computer Vision and Pattern Recognition · Computer Science 2024-05-06 Kim-Celine Kahl , Carsten T. Lüth , Maximilian Zenk , Klaus Maier-Hein , Paul F. Jaeger

We consider the problem of assigning a meaningful degree of belief to uncertainty estimates of perturbative series. We analyse the assumptions which are implicit in the conventional estimates made using renormalisation scale variations. We…

High Energy Physics - Phenomenology · Physics 2011-09-26 Matteo Cacciari , Nicolas Houdeau

Multinomial processing tree (MPT) models are tools for disentangling the contributions of latent cognitive processes in a given experimental paradigm. The present note analyzes MPT models subject to order constraints on subsets of its…

Applications · Statistics 2014-11-11 Karl Christoph Klauer , Henrik Singmann , David Kellen

The output of Large Language Models (LLMs) are a function of the internal model's parameters and the input provided into the context window. The hypothesis presented here is that under a greedy sampling strategy the variance in the LLM's…

Artificial Intelligence · Computer Science 2025-02-20 Srijith Rajamohan , Ahmed Salhin , Josh Frazier , Rohit Kumar , Yu-Cheng Tsai , Todd Cook

In recent years, Large Language Models (LLMs) have become fundamental to a broad spectrum of artificial intelligence applications. As the use of LLMs expands, precisely estimating the uncertainty in their predictions has become crucial.…

Artificial Intelligence · Computer Science 2024-10-29 Mohammad Beigi , Sijia Wang , Ying Shen , Zihao Lin , Adithya Kulkarni , Jianfeng He , Feng Chen , Ming Jin , Jin-Hee Cho , Dawei Zhou , Chang-Tien Lu , Lifu Huang

We explore probability modelling of discretization uncertainty for system states defined implicitly by ordinary or partial differential equations. Accounting for this uncertainty can avoid posterior under-coverage when likelihoods are…

Methodology · Statistics 2016-10-25 Oksana A. Chkrebtii , David A. Campbell , Ben Calderhead , Mark A. Girolami

In this article a novel approach for training deep neural networks using Bayesian techniques is presented. The Bayesian methodology allows for an easy evaluation of model uncertainty and additionally is robust to overfitting. These are…

Machine Learning · Computer Science 2019-04-03 Konstantin Posch , Jürgen Pilz

Classifiers are often tested on relatively small data sets, which should lead to uncertain performance metrics. Nevertheless, these metrics are usually taken at face value. We present an approach to quantify the uncertainty of…

Machine Learning · Statistics 2021-03-05 Niklas Tötsch , Daniel Hoffmann

The analysis of decision making under uncertainty is closely related to the analysis of probabilistic inference. Indeed, much of the research into efficient methods for probabilistic inference in expert systems has been motivated by the…

Artificial Intelligence · Computer Science 2013-03-25 Ross D. Shachter , Mark Alan Peot

A simple method for adding uncertainty to neural network regression tasks via estimation of a general probability distribution is described. The methodology supports estimation of heteroscedastic, asymmetric uncertainties by a simple…

Atmospheric and Oceanic Physics · Physics 2021-09-16 Elizabeth A. Barnes , Randal J. Barnes , Nicolas Gordillo

Effective Field Theories are an established framework to bridge the gap between UV and low energy theories. In the context of the Standard Model, the bottom-up approach extends its operator set and thus equips us to astutely probe its…

High Energy Physics - Phenomenology · Physics 2021-03-23 Supratim Das Bakshi , Joydeep Chakrabortty , Suraj Prakash , Shakeel Ur Rahaman , Michael Spannowsky

Changepoint detection is commonly formulated by minimizing the sum of in-sample losses to quantify the model's overall fit. However, for flexible modeling procedures -- especially those involving high-dimensional parameter spaces or…

Methodology · Statistics 2026-05-05 Chengde Qian , Guanghui Wang , Zhaojun Wang , Changliang Zou

When a machine learning model is deployed, its predictions can alter its environment, as better informed agents strategize to suit their own interests. With such alterations in mind, existing approaches to uncertainty quantification break.…

Machine Learning · Statistics 2024-11-05 Daniel Csillag , Claudio José Struchiner , Guilherme Tegoni Goedert

In the study of complex systems, evaluating physical observables often requires sampling representative configurations via Monte Carlo techniques. These methods rely on repeated evaluations of the system's energy and force fields, which can…

Disordered Systems and Neural Networks · Physics 2025-07-02 Dimitrios Tzivrailis , Alberto Rosso , Eiji Kawasaki

Safely deploying machine learning models to the real world is often a challenging process. Models trained with data obtained from a specific geographic location tend to fail when queried with data obtained elsewhere, agents trained in a…

Machine Learning · Computer Science 2021-11-02 Marco Federici , Ryota Tomioka , Patrick Forré

This paper outlines a theoretical framework using which different automatic metrics can be designed for evaluation of Machine Translation systems. It introduces the concept of {\em cognitive ease} which depends on {\em adequacy} and {\em…

Computation and Language · Computer Science 2022-02-14 Rajeev Sangal

Trust is a crucial factor affecting the adoption of machine learning (ML) models. Qualitative studies have revealed that end-users, particularly in the medical domain, need models that can express their uncertainty in decision-making…

Machine Learning · Computer Science 2023-04-21 Andrew Houston , Georgina Cosma

This paper presents a probabilistic approach to represent and quantify model-form uncertainties in the reduced-order modeling of complex systems using operator inference techniques. Such uncertainties can arise in the selection of an…

Machine Learning · Statistics 2024-11-08 Jin Yi Yong , Rudy Geelen , Johann Guilleminot