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We consider an unknown multivariate function representing a system-such as a complex numerical simulator-taking both deterministic and uncertain inputs. Our objective is to estimate the set of deterministic inputs leading to outputs whose…

Machine Learning · Statistics 2024-12-09 Romain Ait Abdelmalek-Lomenech , Julien Bect , Vincent Chabridon , Emmanuel Vazquez

Bayesian optimization (BO) is increasingly employed in critical applications such as materials design and drug discovery. An increasingly popular strategy in BO is to forgo the sole reliance on high-fidelity data and instead use an ensemble…

Machine Learning · Statistics 2023-03-22 Zahra Zanjani Foumani , Mehdi Shishehbor , Amin Yousefpour , Ramin Bostanabad

Bayesian optimization is a sample-efficient approach to global optimization that relies on theoretically motivated value heuristics (acquisition functions) to guide its search process. Fully maximizing acquisition functions produces the…

Machine Learning · Statistics 2018-12-04 James T. Wilson , Frank Hutter , Marc Peter Deisenroth

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to…

Machine Learning · Statistics 2018-11-30 Luigi Acerbi

Deep learning has made significant breakthroughs in many fields, including electroencephalogram (EEG) based brain-computer interfaces (BCIs). However, deep learning models are vulnerable to adversarial attacks, in which deliberately…

Machine Learning · Computer Science 2019-11-12 Xue Jiang , Xiao Zhang , Dongrui Wu

Automatic cubatures approximate multidimensional integrals to user-specified error tolerances. For high dimensional problems, it makes sense to fix the sampling density but determine the sample size, $n$, automatically. Bayesian cubature…

Numerical Analysis · Mathematics 2021-02-16 R. Jagadeeswaran , Fred J. Hickernell

There is resurging interest, in statistics and machine learning, in solvers for ordinary differential equations (ODEs) that return probability measures instead of point estimates. Recently, Conrad et al. introduced a sampling-based class of…

Numerical Analysis · Computer Science 2018-11-06 Hans Kersting , Philipp Hennig

We propose a novel framework for uncertainty quantification via information bottleneck (IB-UQ) for scientific machine learning tasks, including deep neural network (DNN) regression and neural operator learning (DeepONet). Specifically, we…

Numerical Analysis · Mathematics 2023-05-31 Ling Guo , Hao Wu , Wenwen Zhou , Yan Wang , Tao Zhou

Bayesian optimization with Gaussian processes has become an increasingly popular tool in the machine learning community. It is efficient and can be used when very little is known about the objective function, making it popular in expensive…

Machine Learning · Computer Science 2011-03-08 Eric Brochu , Matthew W. Hoffman , Nando de Freitas

Bayesian inference is a powerful paradigm for quantum state tomography, treating uncertainty in meaningful and informative ways. Yet the numerical challenges associated with sampling from complex probability distributions hampers Bayesian…

Quantum Physics · Physics 2020-05-04 Joseph M. Lukens , Kody J. H. Law , Ajay Jasra , Pavel Lougovski

We consider the active learning problem where the goal is to learn an unknown function with low prediction error under an unknown Boltzmann distribution induced by the function itself. This self-induced weighting arises naturally in…

Machine Learning · Computer Science 2026-05-12 Jixiang Qing , Henry Moss , Matthias Sachs

This paper proposes a novel matrix quantization method, Binary Quadratic Quantization (BQQ). In contrast to conventional first-order quantization approaches, such as uniform quantization and binary coding quantization, that approximate…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Kyo Kuroki , Yasuyuki Okoshi , Thiem Van Chu , Kazushi Kawamura , Masato Motomura

Constructing a large-scale labeled dataset in the real world, especially for high-level tasks (eg, Visual Question Answering), can be expensive and time-consuming. In addition, with the ever-growing amounts of data and architecture…

Computer Vision and Pattern Recognition · Computer Science 2021-11-19 Dong-Jin Kim , Jae Won Cho , Jinsoo Choi , Yunjae Jung , In So Kweon

Active learning is able to reduce the amount of labelling effort by using a machine learning model to query the user for specific inputs. While there are many papers on new active learning techniques, these techniques rarely satisfy the…

Machine Learning · Computer Science 2020-06-18 Parmida Atighehchian , Frédéric Branchaud-Charron , Alexandre Lacoste

Recent advances in machine learning have led to increased deployment of black-box classifiers across a wide variety of applications. In many such situations there is a critical need to both reliably assess the performance of these…

Machine Learning · Statistics 2021-03-16 Disi Ji , Robert L. Logan , Padhraic Smyth , Mark Steyvers

Quantum computers currently rely on a hybrid quantum-classical approach known as Variational Quantum Algorithms (VQAs) to solve problems. Still, there are several challenges with VQAs on the classical computing side: it corresponds to a…

Gathering labeled data to train well-performing machine learning models is one of the critical challenges in many applications. Active learning aims at reducing the labeling costs by an efficient and effective allocation of costly labeling…

Machine Learning · Computer Science 2020-06-03 Daniel Kottke , Marek Herde , Christoph Sandrock , Denis Huseljic , Georg Krempl , Bernhard Sick

Bayesian optimization is a popular tool for data-efficient optimization of expensive objective functions. In real-life applications like engineering design, the designer often wants to take multiple objectives as well as input uncertainty…

Artificial Intelligence · Computer Science 2022-02-28 J. Qing , I. Couckuyt , T. Dhaene

We aim at advancing blind image quality assessment (BIQA), which predicts the human perception of image quality without any reference information. We develop a general and automated multitask learning scheme for BIQA to exploit auxiliary…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Weixia Zhang , Guangtao Zhai , Ying Wei , Xiaokang Yang , Kede Ma

Estimation of the response probability distributions of computer simulators in the presence of randomness is a crucial task in many fields. However, achieving this task with guaranteed accuracy remains an open computational challenge,…

Computation · Statistics 2024-09-04 Chao Dang , Marcos A. Valdebenito , Nataly A. Manque , Jun Xu , Matthias G. R. Faes
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