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Density-based Out-of-distribution (OOD) detection has recently been shown unreliable for the task of detecting OOD images. Various density ratio based approaches achieve good empirical performance, however methods typically lack a…

Machine Learning · Statistics 2022-06-09 Mingtian Zhang , Andi Zhang , Tim Z. Xiao , Yitong Sun , Steven McDonagh

Photonic nanojets (PNJs) have promising applications as optical probes in super-resolution optical microscopy, Raman microscopy, as well as fluorescence microscopy. In this work, we consider optimal design of PNJs using a heterogeneous lens…

Computational Engineering, Finance, and Science · Computer Science 2022-09-07 Amal Mohammed A Alghamdi , Peng Chen , Mirza Karamehmedović

Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures…

We propose a new approach for solving a class of discrete decision making problems under uncertainty with positive cost. This issue concerns multiple and diverse fields such as engineering, economics, artificial intelligence, cognitive…

Artificial Intelligence · Computer Science 2014-01-03 Steve N'Guyen , Clément Moulin-Frier , Jacques Droulez

This paper presents a novel optimization framework of formulating the three-phase optimal power flow that involves uncertainty. The proposed uncertainty-aware optimization (UaO) framework is: 1) a deterministic framework that is less…

Optimization and Control · Mathematics 2021-01-21 Qifeng Li

Data science and informatics tools have been proliferating recently within the computational materials science and catalysis fields. This proliferation has spurned the creation of various frameworks for automated materials screening,…

Materials Science · Physics 2020-02-21 Kevin Tran , Willie Neiswanger , Junwoong Yoon , Qingyang Zhang , Eric Xing , Zachary W. Ulissi

Taking uncertainty into account is crucial when making strategic decisions. To guard against the risk of adverse scenarios, traditional optimisation techniques incorporate uncertainty on the basis of prior knowledge on its distribution. In…

Optimization and Control · Mathematics 2022-12-06 Julien Vaes , Vassilis M. Charitopoulos

This paper introduces a framework for uncertainty quantification in regression models defined in metric spaces. Leveraging a newly defined notion of homoscedasticity, we develop a conformal prediction algorithm that offers finite-sample…

Machine Learning · Statistics 2025-07-22 Gábor Lugosi , Marcos Matabuena

We study ranking and selection under input uncertainty in settings where additional data cannot be collected. We propose the Nonparametric Input-Output Uncertainty Comparisons (NIOU-C) procedure to construct a confidence set that includes…

Methodology · Statistics 2025-11-07 Jaime Gonzalez-Hodar , Johannes Milz , Eunhye Song

Various real-world scientific applications involve the mathematical modeling of complex uncertain systems with numerous unknown parameters. Accurate parameter estimation is often practically infeasible in such systems, as the available…

Machine Learning · Computer Science 2023-04-12 Qihua Chen , Xuejin Chen , Hyun-Myung Woo , Byung-Jun Yoon

Development of robust dynamical systems and networks such as autonomous aircraft systems capable of accomplishing complex missions faces challenges due to the dynamically evolving uncertainties coming from model uncertainties, necessity to…

First principles approaches have revolutionized our ability in using computers to predict, explore and design materials. A major advantage commonly associated with these approaches is that they are fully parameter free. However, numerically…

Materials Science · Physics 2025-12-25 Jan Janssen , Edgar Makarov , Tilmann Hickel , Alexander V. Shapeev , Jörg Neugebauer

This paper introduces a methodology designed to augment the inverse design optimization process in scenarios constrained by limited compute, through the strategic synergy of multi-fidelity evaluations, machine learning models, and…

Computational Engineering, Finance, and Science · Computer Science 2024-06-04 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

One of the popular measures of central tendency that provides better representation and interesting insights of the data compared to the other measures like mean and median is the metric mode. If the analytical form of the density function…

Machine Learning · Computer Science 2019-06-04 Chandramouli Kamanchi , Raghuram Bharadwaj Diddigi , Prabuchandran K. J. , Shalabh Bhatnagar

In this work, we consider the problem of optimal design of an acoustic cloak under uncertainty and develop scalable approximation and optimization methods to solve this problem. The design variable is taken as an infinite-dimensional…

Optimization and Control · Mathematics 2021-03-17 Peng Chen , Michael R. Haberman , Omar Ghattas

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such…

Machine Learning · Computer Science 2023-11-07 Lin Yang , Junlong Lyu , Wenlong Lyu , Zhitang Chen

Optical proximity correction (OPC) is a widely-used resolution enhancement technique (RET) for printability optimization. Recently, rigorous numerical optimization and fast machine learning are the research focus of OPC in both academia and…

Computer Vision and Pattern Recognition · Computer Science 2023-03-23 Wenqian Zhao , Xufeng Yao , Ziyang Yu , Guojin Chen , Yuzhe Ma , Bei Yu , Martin D. F. Wong

We present an optimal uncertainty quantification (OUQ) framework for systems whose uncertain inputs are characterized by truncated moment constraints defined over subdomains. Based on this partial information, rigorous optimal upper and…

Computational Physics · Physics 2025-12-23 Rong Jin , Xingsheng Sun

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e.…

Machine Learning · Computer Science 2023-12-13 Samuel Stanton , Wesley Maddox , Andrew Gordon Wilson

In this work, we propose a novel method to tackle the problem of multiobjective optimization under parameteric uncertainties, by considering the Conditional Pareto Sets and Conditional Pareto Fronts. Based on those quantities we can define…

Optimization and Control · Mathematics 2026-01-15 Victor Trappler , Céline Helbert , Rodolphe Le Riche