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Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural…

Machine Learning · Computer Science 2024-03-15 Tim Rensmeyer , Oliver Niggemann

A hybrid quantum-classical algorithm is a computational scheme in which quantum circuits are used to extract information that is then processed by a classical routine to guide subsequent quantum operations. These algorithms are especially…

Quantum Physics · Physics 2025-09-03 Alon Levi , Ziv Ossi , Eliahu Cohen , Amit Te'eni

Adapting large-scale foundation models to new domains with limited supervision remains a fundamental challenge due to latent distribution mismatch, unstable optimization dynamics, and miscalibrated uncertainty propagation. This paper…

Machine Learning · Computer Science 2026-03-27 Aueaphum Aueawatthanaphisut , Kuepon Auewattanapisut

A critical question for the field of quantum computing in the near future is whether quantum devices without error correction can perform a well-defined computational task beyond the capabilities of state-of-the-art classical computers,…

Computational models provide crucial insights into complex biological processes such as cancer evolution, but their mechanistic nature often makes them nonlinear and parameter-rich, complicating calibration. We systematically evaluate…

Analysis of PDEs · Mathematics 2025-09-24 Christina Schenk , Jacobo Ayensa Jiménez , Ignacio Romero

Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…

Methodology · Statistics 2017-09-01 Georgios Karagiannis , Bledar A. Konomi , Guang Lin

Existing methods for unsupervised domain adaptation often rely on minimizing some statistical distance between the source and target samples in the latent space. To avoid the sampling variability, class imbalance, and data-privacy concerns…

Machine Learning · Computer Science 2021-10-26 Korawat Tanwisuth , Xinjie Fan , Huangjie Zheng , Shujian Zhang , Hao Zhang , Bo Chen , Mingyuan Zhou

Bayesian quadrature optimization (BQO) maximizes the expectation of an expensive black-box integrand taken over a known probability distribution. In this work, we study BQO under distributional uncertainty in which the underlying…

Machine Learning · Computer Science 2020-01-22 Thanh Tang Nguyen , Sunil Gupta , Huong Ha , Santu Rana , Svetha Venkatesh

This paper presents a strategy for efficient quantum circuit design for density estimation. The strategy is based on a quantum-inspired algorithm for density estimation and a circuit optimisation routine based on memetic algorithms. The…

Quasi-probability decompositions (QPDs) have proven essential in many quantum algorithms and protocols -- one replaces a ``difficult'' quantum circuit with an ensemble of ``easier'' circuit variants whose weighted outcomes reproduce any…

Quantum Physics · Physics 2026-02-13 Joshua W. Dai , Bálint Koczor

Variational quantum algorithms stand at the forefront of simulations on near-term and future fault-tolerant quantum devices. While most variational quantum algorithms involve only continuous optimization variables, the representational…

Quantum Physics · Physics 2022-11-03 Jiahao Yao , Haoya Li , Marin Bukov , Lin Lin , Lexing Ying

Efficient sampling from a classical Gibbs distribution is an important computational problem with applications ranging from statistical physics over Monte Carlo and optimization algorithms to machine learning. We introduce a family of…

Quantum Physics · Physics 2021-09-08 Dominik S. Wild , Dries Sels , Hannes Pichler , Cristian Zanoci , Mikhail D. Lukin

Variational quantum algorithms are viewed as promising candidates for demonstrating quantum advantage on near-term devices. These approaches typically involve the training of parameterized quantum circuits through a classical optimization…

Two-stage stochastic optimization is a framework for modeling uncertainty, where we have a probability distribution over possible realizations of the data, called scenarios, and decisions are taken in two stages: we make first-stage…

Data Structures and Algorithms · Computer Science 2023-10-25 Andre Linhares , Chaitanya Swamy

Sampling problems are promising candidates for demonstrating quantum advantage, and one approach known as quantum-enhanced Markov chain Monte Carlo [Layden, D. et al., Nature 619, 282-287 (2023)] uses quantum samples as a proposal…

Quantum Physics · Physics 2026-04-23 Yuya Kawamata , Yuichiro Nakano , Keisuke Fujii

We present an optimizer which uses Bayesian optimization to tune the system parameters of distributed stochastic gradient descent (SGD). Given a specific context, our goal is to quickly find efficient configurations which appropriately…

Machine Learning · Statistics 2016-12-04 Valentin Dalibard , Michael Schaarschmidt , Eiko Yoneki

Graphical models are useful tools for describing structured high-dimensional probability distributions. Development of efficient algorithms for generating unbiased and independent samples from graphical models remains an active research…

Quantum Physics · Physics 2026-04-02 Nico Piatkowski , Christa Zoufal

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

While machine learning models rapidly advance the state-of-the-art on various real-world tasks, out-of-domain (OOD) generalization remains a challenging problem given the vulnerability of these models to spurious correlations. We propose a…

Machine Learning · Computer Science 2023-02-21 Xinyi Wang , Michael Saxon , Jiachen Li , Hongyang Zhang , Kun Zhang , William Yang Wang

Domain adaptation is an important technique to alleviate performance degradation caused by domain shift, e.g., when training and test data come from different domains. Most existing deep adaptation methods focus on reducing domain shift by…

Machine Learning · Computer Science 2019-06-25 Jun Wen , Nenggan Zheng , Junsong Yuan , Zhefeng Gong , Changyou Chen
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