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We propose a data-driven technique to automatically learn contextual uncertainty sets in robust optimization, resulting in excellent worst-case and average-case performance while also guaranteeing constraint satisfaction. Our method…

Optimization and Control · Mathematics 2025-06-25 Irina Wang , Bart Van Parys , Bartolomeo Stellato

Experimental progress in qubit manufacturing calls for the development of new theoretical tools to analyze quantum data. We show how an unsupervised machine-learning technique can be used to understand short-range entangled many-qubit…

Quantum Physics · Physics 2023-03-22 Nicolas Sadoune , Giuliano Giudici , Ke Liu , Lode Pollet

Machine learning can significantly improve performance for decision-making under uncertainty across a wide range of domains. However, ensuring robustness guarantees requires well-calibrated uncertainty estimates, which can be difficult to…

Machine Learning · Computer Science 2026-02-03 Christopher Yeh , Nicolas Christianson , Alan Wu , Adam Wierman , Yisong Yue

Emulating high-accuracy computationally expensive models is crucial for tasks requiring numerous model evaluations, such as uncertainty quantification and optimization. When lower-fidelity models are available, they can be used to improve…

Methodology · Statistics 2024-10-30 Katerina Giannoukou , Stefano Marelli , Bruno Sudret

The ongoing development of quantum processors is driving breakthroughs in scientific discovery. Despite this progress, the formidable cost of fabricating large-scale quantum processors means they will remain rare for the foreseeable future,…

Quantum Physics · Physics 2025-07-24 Wei-You Liao , Yuxuan Du , Xinbiao Wang , Tian-Ci Tian , Yong Luo , Bo Du , Dacheng Tao , He-Liang Huang

In complex large-scale systems such as climate, important effects are caused by a combination of confounding processes that are not fully observable. The identification of sources from observations of system state is vital for attribution…

Machine Learning · Statistics 2023-03-22 Joseph Hart , Mamikon Gulian , Indu Manickam , Laura Swiler

Learning quantum Hamiltonians with high precision is important for quantum physics and quantum information science. We propose a multi-stage neural network framework that significantly enhances Hamiltonian learning precision through…

Quantum Physics · Physics 2025-03-11 Zhengjie Kang , Hao Li , Shuo Wang , Jiaojiao Li , Yuanjie Zhang , Zhihuang Luo

Calibration is commonly evaluated by comparing model confidence with its empirical correctness, implicitly treating reliability as a function of the confidence score alone. However, this view can hide substantial structure: models may be…

Machine Learning · Computer Science 2026-05-14 Katarzyna Kobalczyk , Mihaela van der Schaar

We study the statistical properties of learning to defer (L2D) to multiple experts. In particular, we address the open problems of deriving a consistent surrogate loss, confidence calibration, and principled ensembling of experts. Firstly,…

Machine Learning · Statistics 2023-02-24 Rajeev Verma , Daniel Barrejón , Eric Nalisnick

In machine learning, the loss functions optimized during training often differ from the target loss that defines task performance due to computational intractability or lack of differentiability. We present an in-depth study of the target…

Machine Learning · Computer Science 2025-12-30 Yutao Zhong

We present a hybrid sampling-surrogate approach for reducing the computational expense of uncertainty quantification in nonlinear dynamical systems. Our motivation is to enable rapid uncertainty quantification in complex mechanical systems…

Computation · Statistics 2022-01-27 Hang Yang , Yuji Fujii , K. W. Wang , Alex A. Gorodetsky

Explainable AI is a crucial component for edge services, as it ensures reliable decision making based on complex AI models. Surrogate models are a prominent approach of XAI where human-interpretable models, such as a linear regression…

Machine Learning · Computer Science 2025-03-12 Foivos Charalampakos , Thomas Tsouparopoulos , Iordanis Koutsopoulos

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

Phase transitions mark qualitative reorganizations of collective behavior, yet identifying their boundaries remains challenging whenever analytic solutions are absent and conventional simulations fail. Here we introduce learnability as a…

Materials Science · Physics 2025-10-10 Şener Özönder

Simulating the time evolution of physical systems is pivotal in many scientific and engineering problems. An open challenge in simulating such systems is their multi-resolution dynamics: a small fraction of the system is extremely dynamic,…

Machine Learning · Computer Science 2023-05-03 Tailin Wu , Takashi Maruyama , Qingqing Zhao , Gordon Wetzstein , Jure Leskovec

Calibration$\unicode{x2014}$the problem of ensuring that predicted probabilities align with observed class frequencies$\unicode{x2014}$is a basic desideratum for reliable prediction with machine learning systems. Calibration error is…

Machine Learning · Statistics 2026-03-02 Eugène Berta , Sacha Braun , David Holzmüller , Francis Bach , Michael I. Jordan

Although much progress has been made towards robust deep learning, a significant gap in robustness remains between real-world perturbations and more narrowly defined sets typically studied in adversarial defenses. In this paper, we aim to…

Machine Learning · Computer Science 2020-10-09 Eric Wong , J. Zico Kolter

A key bottleneck in quantum machine learning is the computational cost of repeated quantum circuit evaluations during the inference phase. To address this, we present a framework for constructing fast, cheap, provably accurate classical…

Quantum Physics · Physics 2026-04-29 Sreeraj Rajindran Nair , Christopher Ferrie

Machine learning models of accelerator systems (`surrogate models') are able to provide fast, accurate predictions of accelerator physics phenomena. However, approaches to date typically do not include measured input diagnostics, such as…

Accelerator Physics · Physics 2021-04-06 Lipi Gupta , Auralee Edelen , Nicole Neveu , Aashwin Mishra , Christopher Mayes , Young-Kee Kim

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu
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