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For semi-supervised techniques to be applied safely in practice we at least want methods to outperform their supervised counterparts. We study this question for classification using the well-known quadratic surrogate loss function. Using a…

Machine Learning · Statistics 2016-02-26 Jesse H. Krijthe , Marco Loog

This paper presents a modification of the data-driven sensor-based fault detection and diagnosis (SFDD) algorithm for online robot monitoring. Our version of the algorithm uses a collection of generative models, in particular restricted…

Robotics · Computer Science 2023-11-27 Alex Mitrevski , Paul G. Plöger

Credal sets are sets of probability distributions that are considered as candidates for an imprecisely known ground-truth distribution. In machine learning, they have recently attracted attention as an appealing formalism for uncertainty…

Machine Learning · Statistics 2024-02-19 Alireza Javanmardi , David Stutz , Eyke Hüllermeier

Surrogate strategies are used widely for uncertainty quantification of groundwater models in order to improve computational efficiency. However, their application to dynamic multiphase flow problems is hindered by the curse of…

Machine Learning · Statistics 2019-05-02 Shaoxing Mo , Yinhao Zhu , Nicholas Zabaras , Xiaoqing Shi , Jichun Wu

Optimization and uncertainty quantification have been playing an increasingly important role in computational hemodynamics. However, existing methods based on principled modeling and classic numerical techniques have faced significant…

Medical Physics · Physics 2022-09-07 Pan Du , Xiaozhi Zhu , Jian-Xun Wang

We use a constant velocity steered molecular dynamics (SMD) simulation of the stretching of deca-alanine in vacuum to demonstrate a technique that can be used to create surrogate stochastic processes using the time series that come out of…

Statistical Mechanics · Physics 2015-06-25 Christopher P. Calderon

Semantic segmentation networks (SSNs) are central to safety-critical applications such as medical imaging and autonomous driving, where robustness under uncertainty is essential. However, existing probabilistic verification methods often…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Navid Hashemi , Samuel Sasaki , Diego Manzanas Lopez , Lars Lindemann , Ipek Oguz , Meiyi Ma , Taylor T. Johnson

Numerical models based on physics represent the state-of-the-art in earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model…

Machine Learning · Computer Science 2022-01-10 Kate Duffy , Thomas Vandal , Weile Wang , Ramakrishna Nemani , Auroop R. Ganguly

Conformal prediction is a popular uncertainty quantification method that augments a base predictor to return sets of predictions with statistically valid coverage guarantees. However, current methods are often computationally expensive and…

Machine Learning · Computer Science 2026-03-05 Laura Lützow , Michael Eichelbeck , Mykel J. Kochenderfer , Matthias Althoff

Predicting nutrient transport and salinity distribution is crucial for mitigating climate-related threats to agromaritime systems. Traditional PDE-based models can capture the physics of nutrient dispersion, salinity and water quality.…

Numerical Analysis · Mathematics 2026-04-24 Muhammad Ilyas

Delayed primary outcomes and administratively censored follow-up create a general semiparametric estimation problem: the target causal functional depends on an endpoint observed only for a shrinking subset of units at analysis time, while…

Methodology · Statistics 2026-04-02 Lin Li , Tuo Lin , Yiwen Chen , Xin M. Tu

Neural networks for LHC physics have to be accurate, reliable, and controlled. Using neural surrogates for the prediction of loop amplitudes as a use case, we first show how activation functions are systematically tested with…

High Energy Physics - Phenomenology · Physics 2025-10-28 Henning Bahl , Nina Elmer , Luigi Favaro , Manuel Haußmann , Tilman Plehn , Ramon Winterhalder

One method to solve expensive black-box optimization problems is to use a surrogate model that approximates the objective based on previous observed evaluations. The surrogate, which is cheaper to evaluate, is optimized instead to find an…

Optimization and Control · Mathematics 2021-05-28 Rickard Karlsson , Laurens Bliek , Sicco Verwer , Mathijs de Weerdt

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

We investigate optimal order execution problems in discrete time with instantaneous price impact and stochastic resilience. First, in the setting of linear transient price impact we derive a closed-form recursion for the optimal strategy,…

Trading and Market Microstructure · Quantitative Finance 2023-10-31 Tao Chen , Mike Ludkovski , Moritz Voß

Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these…

Methodology · Statistics 2023-05-04 Moses Y-H. Chan , Matthew Plumlee , Stefan M. Wild

Multi-fidelity surrogate learning is important for physical simulation related applications in that it avoids running numerical solvers from scratch, which is known to be costly, and it uses multi-fidelity examples for training and greatly…

Machine Learning · Computer Science 2023-11-10 Zheng Wang , Shibo Li , Shikai Fang , Shandian Zhe

This work presents a deep learning surrogate model for the fast simulation of high-dimensional frequency selective surfaces. We consider unit-cells which are built as multiple concatenated stacks of screens and their design requires the…

Signal Processing · Electrical Eng. & Systems 2023-09-22 Lucas Polo-López , Luc Le Magoarou , Romain Contreres , María García-Vigueras

Poroelasticity -- coupled fluid flow and elastic deformation in porous media -- often involves spatially variable permeability, especially in subsurface systems. In such cases, simulations with random permeability fields are widely used for…

Machine Learning · Computer Science 2025-09-16 Sangjoon Park , Yeonjong Shin , Jinhyun Choo

Uncertainty quantification in Knowledge Graph Embedding (KGE) methods is crucial for ensuring the reliability of downstream applications. A recent work applies conformal prediction to KGE methods, providing uncertainty estimates by…

Artificial Intelligence · Computer Science 2025-05-23 Yuqicheng Zhu , Daniel Hernández , Yuan He , Zifeng Ding , Bo Xiong , Evgeny Kharlamov , Steffen Staab