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Quantum kernel methods are a promising method in quantum machine learning thanks to the guarantees connected to them. Their accessibility for analytic considerations also opens up the possibility of prescreening datasets based on their…

Quantum Physics · Physics 2024-08-05 Sebastian Egginger , Alona Sakhnenko , Jeanette Miriam Lorenz

On top of machine learning models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and…

Machine Learning · Computer Science 2024-03-28 Venkat Nemani , Luca Biggio , Xun Huan , Zhen Hu , Olga Fink , Anh Tran , Yan Wang , Xiaoge Zhang , Chao Hu

Uncertainty quantification of complex technical systems is often based on a computer model of the system. As all models such a computer model is always wrong in the sense that it does not describe the reality perfectly. The purpose of this…

Systems and Control · Electrical Eng. & Systems 2020-12-18 Sebastian Kersting , Michael Kohler

Despite AI's impressive achievements, including recent advances in generative and large language models, there remains a significant gap in the ability of AI systems to handle uncertainty and generalize beyond their training data. AI models…

Artificial Intelligence · Computer Science 2025-06-30 Shireen Kudukkil Manchingal , Andrew Bradley , Julian F. P. Kooij , Keivan Shariatmadar , Neil Yorke-Smith , Fabio Cuzzolin

Effective quantification of uncertainty is an essential and still missing step towards a greater adoption of deep-learning approaches in different applications, including mission-critical ones. In particular, investigations on the…

Machine Learning · Computer Science 2023-04-14 Marco Forgione , Dario Piga

Uncertainty Quantification (UQ) is essential in probabilistic machine learning models, particularly for assessing the reliability of predictions. In this paper, we present a systematic framework for estimating both epistemic and aleatoric…

Machine Learning · Statistics 2025-09-11 Marzieh Ajirak , Anand Ravishankar , Petar M. Djuric

Quantum machine learning is a rapidly growing field at the intersection of quantum technology and artificial intelligence. This review provides a two-fold overview of several key approaches that can offer advancements in both the…

Quantum Physics · Physics 2023-03-07 Alexey Melnikov , Mohammad Kordzanganeh , Alexander Alodjants , Ray-Kuang Lee

Quantum machine learning (QML) has attracted growing interest with the rapid parallel advances in large-scale classical machine learning and quantum technologies. Similar to classical machine learning, QML models also face challenges…

Uncertainty Quantification (UQ) is a promising approach to improve model reliability, yet quantifying the uncertainty of Large Language Models (LLMs) is non-trivial. In this work, we establish a connection between the uncertainty of LLMs…

Computation and Language · Computer Science 2025-10-16 Mingda Li , Xinyu Li , Weinan Zhang , Longxuan Ma

Precise estimation of predictive uncertainty in deep neural networks is a critical requirement for reliable decision-making in machine learning and statistical modeling, particularly in the context of medical AI. Conformal Prediction (CP)…

Machine Learning · Computer Science 2024-01-05 Hamed Karimi , Reza Samavi

Quantum computing is the process of performing calculations using quantum mechanics. This field studies the quantum behavior of certain subatomic particles for subsequent use in performing calculations, as well as for large-scale…

Quantum Physics · Physics 2023-12-07 David Peral García , Juan Cruz-Benito , Francisco José García-Peñalvo

Deep neural networks (DNNs) have achieved tremendous success in computer vision, natural language processing, and scientific and engineering domains. However, DNNs can make unexpected, incorrect, yet overconfident predictions, leading to…

Machine Learning · Computer Science 2025-12-16 Wenchong He , Zhe Jiang , Tingsong Xiao , Zelin Xu , Yukun Li

Uncertainty Quantification (UQ) is widely regarded as the primary safeguard for deploying Large Language Models (LLMs) in high-stakes domains. However, we argue that the field suffers from a category error: mainstream UQ methods for LLMs…

Computation and Language · Computer Science 2026-05-20 Tiejin Chen , Longchao Da , Xiaoou Liu , Hua Wei

Deep learning has the potential to dramatically impact navigation and tracking state estimation problems critical to autonomous vehicles and robotics. Measurement uncertainties in state estimation systems based on Kalman and other Bayes…

Machine Learning · Computer Science 2021-06-16 Rebecca L. Russell , Christopher Reale

Quantifying uncertainty is important for actionable predictions in real-world applications. A crucial part of predictive uncertainty quantification is the estimation of epistemic uncertainty, which is defined as an integral of the product…

Machine Learning · Computer Science 2023-10-25 Kajetan Schweighofer , Lukas Aichberger , Mykyta Ielanskyi , Günter Klambauer , Sepp Hochreiter

Due to lack of scientific understanding, some mechanisms may be missing in mathematical modeling of complex phenomena in science and engineering. These mathematical models thus contain some uncertainties such as uncertain parameters. One…

Probability · Mathematics 2012-04-05 Jinqiao Duan , Ting Gao , Guowei He

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Quantum computing has garnered significant attention in recent years from both academia and industry due to its potential to achieve a "quantum advantage" over classical computers. The advent of quantum computing introduces new challenges…

Quantum Physics · Physics 2024-08-09 Zhengping Jay Luo , Tyler Stewart , Mourya Narasareddygari , Rui Duan , Shangqing Zhao

Model-based deep learning solutions to inverse problems have attracted increasing attention in recent years as they bridge state-of-the-art numerical performance with interpretability. In addition, the incorporated prior domain knowledge…

Machine Learning · Statistics 2023-09-18 Frederik Hoppe , Claudio Mayrink Verdun , Felix Krahmer , Hannah Laus , Holger Rauhut

Epistemic uncertainty quantification (UQ) identifies where models lack knowledge. Traditional UQ methods, often based on Bayesian neural networks, are not suitable for pre-trained non-Bayesian models. Our study addresses quantifying…

Machine Learning · Computer Science 2024-04-17 Hanjing Wang , Qiang Ji
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