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Kolmogorov-Arnold Networks (KANs) offer a structured and interpretable framework for multivariate function approximation by composing univariate transformations through additive or multiplicative aggregation. This paper establishes…

Machine Learning · Computer Science 2025-12-05 Wei Liu , Eleni Chatzi , Zhilu Lai

Uncertainty quantification (UQ) in deep learning regression is of wide interest, as it supports critical applications including sequential decision making and risk-sensitive tasks. In heteroskedastic regression, where the uncertainty of the…

Machine Learning · Computer Science 2026-03-03 Mikkel Jordahn , Jonas Vestergaard Jensen , James Harrison , Michael Riis Andersen , Mikkel N. Schmidt

We present a novel approach to uncertainty quantification in classification tasks based on label-wise decomposition of uncertainty measures. This label-wise perspective allows uncertainty to be quantified at the individual class level,…

Machine Learning · Computer Science 2024-06-05 Yusuf Sale , Paul Hofman , Timo Löhr , Lisa Wimmer , Thomas Nagler , Eyke Hüllermeier

This paper introduces a new framework for quantifying predictive uncertainty for both data and models that relies on projecting the data into a Gaussian reproducing kernel Hilbert space (RKHS) and transforming the data probability density…

Machine Learning · Computer Science 2021-09-24 Rishabh Singh , Jose C. Principe

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

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

Bayesian Neural Networks (BNNs) offer a principled and natural framework for proper uncertainty quantification in the context of deep learning. They address the typical challenges associated with conventional deep learning methods, such as…

Computation · Statistics 2024-11-13 Zahra Moslemi , Yang Meng , Shiwei Lan , Babak Shahbaba

We initiate the study of a new model of query complexity of Boolean functions where, in addition to 0 and 1, the oracle can answer queries with ``unknown''. The query algorithm is expected to output the function value if it can be…

Computational Complexity · Computer Science 2024-12-10 Nikhil S. Mande , Karteek Sreenivasaiah

While deep neural networks are highly performant and successful in a wide range of real-world problems, estimating their predictive uncertainty remains a challenging task. To address this challenge, we propose and implement a loss function…

Machine Learning · Computer Science 2022-10-14 Tony Tohme , Kevin Vanslette , Kamal Youcef-Toumi

This paper addresses the Bayesian calibration of dynamic models with parametric and structural uncertainties, in particular where the uncertain parameters are unknown/poorly known spatio-temporally varying subsystem models. Independent…

Computation · Statistics 2012-11-02 Piyush Tagade , Han-Lim Choi

This paper presents a systematic method to analyze stability and robustness of uncertain Quantum Input-Output Networks (QIONs). A general form of uncertainty is introduced into quantum networks in the SLH formalism. Results of this paper…

Quantum Physics · Physics 2021-03-04 Peyman Azodi , Alireza Khayatian , Peyman Setoodeh

Kolmogorov-Arnold Networks (KANs) have recently shown promise for solving partial differential equations (PDEs). Yet their original formulation is computationally and memory intensive, motivating the introduction of Chebyshev Type-I-based…

Machine Learning · Computer Science 2026-01-19 Hangwei Zhang , Zhimu Huang , Yan Wang

We propose a simple method that combines neural networks and Gaussian processes. The proposed method can estimate the uncertainty of outputs and flexibly adjust target functions where training data exist, which are advantages of Gaussian…

Machine Learning · Statistics 2017-07-20 Tomoharu Iwata , Zoubin Ghahramani

Machine learning for scientific discovery is increasingly becoming popular because of its ability to extract and recognize the nonlinear characteristics from the data. The black-box nature of deep learning methods poses difficulties in…

Computational Physics · Physics 2024-11-19 Ashish Pal , Satish Nagarajaiah

Kolmogorov-Arnold Networks (KANs) have emerged as a promising alternative to traditional Multi-Layer Perceptrons (MLPs), offering enhanced interpretability and a solid mathematical foundation. However, their parameter efficiency remains a…

Machine Learning · Computer Science 2025-10-09 Di Zhang

When incorporating deep neural networks into robotic systems, a major challenge is the lack of uncertainty measures associated with their output predictions. Methods for uncertainty estimation in the output of deep object detectors (DNNs)…

Computer Vision and Pattern Recognition · Computer Science 2019-09-17 Ali Harakeh , Michael Smart , Steven L. Waslander

Detecting hallucinations in large language models (LLMs) remains a fundamental challenge for their trustworthy deployment. Going beyond basic uncertainty-driven hallucination detection frameworks, we propose a simple yet powerful method…

Artificial Intelligence · Computer Science 2025-10-10 Rui Wang , Zeming Wei , Guanzhang Yue , Meng Sun

Despite the huge success of deep neural networks (NNs), finding good mechanisms for quantifying their prediction uncertainty is still an open problem. Bayesian neural networks are one of the most popular approaches to uncertainty…

Machine Learning · Statistics 2020-01-01 Agustinus Kristiadi , Sina Däubener , Asja Fischer

We provide a novel computer-assisted technique for systematically analyzing first-order methods for optimization. In contrast with previous works, the approach is particularly suited for handling sublinear convergence rates and stochastic…

Optimization and Control · Mathematics 2021-12-22 Adrien Taylor , Francis Bach

Uncertainty quantification plays an important role in achieving trustworthy and reliable learning-based computational imaging. Recent advances in generative modeling and Bayesian neural networks have enabled the development of…

Image and Video Processing · Electrical Eng. & Systems 2025-10-07 Canberk Ekmekci , Mujdat Cetin