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Bayesian optimization is a class of global optimization techniques. In Bayesian optimization, the underlying objective function is modeled as a realization of a Gaussian process. Although the Gaussian process assumption implies a random…

Statistics Theory · Mathematics 2023-05-08 Rui Tuo , Wenjia Wang

Probabilistic quantum error correction is an error-correcting procedure which uses postselection to determine if the encoded information was successfully restored. In this work, we deeply analyze probabilistic version of the…

Quantum Physics · Physics 2023-04-12 Ryszard Kukulski , Łukasz Pawela , Zbigniew Puchała

Understanding the uncertainty of a neural network's (NN) predictions is essential for many purposes. The Bayesian framework provides a principled approach to this, however applying it to NNs is challenging due to large numbers of parameters…

Machine Learning · Statistics 2020-02-27 Tim Pearce , Felix Leibfried , Alexandra Brintrup , Mohamed Zaki , Andy Neely

In this paper, we introduce a method for approximating the solution to inference and optimization tasks in uncertain and deterministic reasoning. Such tasks are in general intractable for exact algorithms because of the large number of…

Artificial Intelligence · Computer Science 2012-12-12 David Ephraim Larkin

In this work, we aim at augmenting the decisions output by quantum models with "error bars" that provide finite-sample coverage guarantees. Quantum models implement implicit probabilistic predictors that produce multiple random decisions…

Quantum Physics · Physics 2023-10-24 Sangwoo Park , Osvaldo Simeone

Ensuring safety in robotic systems remains a fundamental challenge, especially when deploying offline policy-learning methods such as imitation learning in dynamic environments. Traditional behavior cloning (BC) often fails to generalize…

Robotics · Computer Science 2025-09-30 Mumuksh Tayal , Manan Tayal , Ravi Prakash

Variational quantum algorithms rely on the optimization of parameterized quantum circuits in noisy settings. The commonly used back-propagation procedure in classical machine learning is not directly applicable in this setting due to the…

Quantum Physics · Physics 2024-08-27 Zhiyan Ding , Taehee Ko , Jiahao Yao , Lin Lin , Xiantao Li

Image reconstruction methods based on deep neural networks have shown outstanding performance, equalling or exceeding the state-of-the-art results of conventional approaches, but often do not provide uncertainty information about the…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Riccardo Barbano , Željko Kereta , Chen Zhang , Andreas Hauptmann , Simon Arridge , Bangti Jin

Pairwise Euclidean distance calculation is a fundamental step in many machine learning and data analysis algorithms. In real-world applications, however, these distances are frequently distorted by heteroskedastic noise$\unicode{x2014}$a…

Machine Learning · Statistics 2025-09-12 Keyi Li , Yuval Kluger , Boris Landa

Uncertainty calibration is crucial for various machine learning applications, yet it remains challenging. Many models exhibit hallucinations - confident yet inaccurate responses - due to miscalibrated confidence. Here, we show that the…

Machine Learning · Computer Science 2025-03-28 Jeonghwan Cheon , Se-Bum Paik

In this paper, we introduce Deep Probabilistic Ensembles (DPEs), a scalable technique that uses a regularized ensemble to approximate a deep Bayesian Neural Network (BNN). We do so by incorporating a KL divergence penalty term into the…

Machine Learning · Statistics 2018-12-04 Kashyap Chitta , Jose M. Alvarez , Adam Lesnikowski

While deep learning offers powerful capabilities for scientific research, its application is often hindered by a lack of quantitative reliability. To address this, we introduce a probabilistic denoising framework that simultaneously…

Strongly Correlated Electrons · Physics 2026-05-11 Younsik Kim , Changyoung Kim

We develop a framework for estimating unknown partial differential equations from noisy data, using a deep learning approach. Given noisy samples of a solution to an unknown PDE, our method interpolates the samples using a neural network,…

Machine Learning · Computer Science 2019-10-24 Ali Hasan , João M. Pereira , Robert Ravier , Sina Farsiu , Vahid Tarokh

Stochastic first-order methods are standard for training large-scale machine learning models. Random behavior may cause a particular run of an algorithm to result in a highly suboptimal objective value, whereas theoretical guarantees are…

Optimization and Control · Mathematics 2024-09-02 Eduard Gorbunov , Marina Danilova , Innokentiy Shibaev , Pavel Dvurechensky , Alexander Gasnikov

Capturing aleatoric uncertainty is a critical part of many machine learning systems. In deep learning, a common approach to this end is to train a neural network to estimate the parameters of a heteroscedastic Gaussian distribution by…

Machine Learning · Computer Science 2022-04-04 Maximilian Seitzer , Arash Tavakoli , Dimitrije Antic , Georg Martius

Probabilistic error cancellation (PEC) is a technique that generates error-mitigated estimates of expectation values from ensembles of quantum circuits. In this work we extend the application of PEC from unitary-only circuits to dynamic…

Accurate approximation of probability measures is essential in numerical applications. This paper explores the quantization of probability measures using the maximum mean discrepancy (MMD) distance as a guiding metric. We first investigate…

Optimization and Control · Mathematics 2025-03-18 Zahra Mehraban , Alois Pichler

Polynomial chaos expansion (PCE) is a powerful surrogate model-based reliability analysis method. Generally, a PCE model with a higher expansion order is usually required to obtain an accurate surrogate model for some complex non-linear…

Machine Learning · Computer Science 2022-04-05 Xiaohu Zheng , Wen Yao , Yunyang Zhang , Xiaoya Zhang

Bayesian optimization (BO) with Gaussian process (GP) surrogate models is a powerful black-box optimization method. Acquisition functions are a critical part of a BO algorithm as they determine how the new samples are selected. Some of the…

Machine Learning · Computer Science 2024-12-30 Jingyi Wang , Haowei Wang , Cosmin G. Petra , Nai-Yuan Chiang

We develop a computational procedure to estimate the covariance hyperparameters for semiparametric Gaussian process regression models with additive noise. Namely, the presented method can be used to efficiently estimate the variance of the…

Machine Learning · Computer Science 2022-06-22 Siavash Ameli , Shawn C. Shadden