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Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on…

Operator learning is a recently developed generalization of regression to mappings between functions. It promises to drastically reduce expensive numerical integration of PDEs to fast evaluations of mappings between functional states of a…

机器学习 · 计算机科学 2025-12-23 Tian Yu Yen , Reese E. Jones , Ravi G. Patel

Bringing deep neural networks (DNNs) into safety critical applications such as automated driving, medical imaging and finance, requires a thorough treatment of the model's uncertainties. Training deep neural networks is already resource…

计算机视觉与模式识别 · 计算机科学 2022-05-31 Julian Burghoff , Robin Chan , Hanno Gottschalk , Annika Muetze , Tobias Riedlinger , Matthias Rottmann , Marius Schubert

Safe deployment of graph neural networks (GNNs) under distribution shift requires models to provide accurate confidence indicators (CI). However, while it is well-known in computer vision that CI quality diminishes under distribution shift,…

机器学习 · 计算机科学 2023-09-21 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

Atomistic simulations are an important tool in materials modeling. Interatomic potentials (IPs) are at the heart of such molecular models, and the accuracy of a model's predictions depends strongly on the choice of IP. Uncertainty…

How can we quantify uncertainty if our favorite computational tool - be it a numerical, a statistical, or a machine learning approach, or just any computer model - provides single-valued output only? In this article, we introduce the Easy…

统计方法学 · 统计学 2023-07-25 Eva-Maria Walz , Alexander Henzi , Johanna Ziegel , Tilmann Gneiting

The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct.…

Trustworthy depression prediction based on deep learning, incorporating both predictive reliability and algorithmic fairness across diverse demographic groups, is crucial for clinical application. Recently, achieving reliable depression…

机器学习 · 计算机科学 2025-10-01 Yonghong Li , Zheng Zhang , Xiuzhuang Zhou

A central challenge in scientific machine learning (ML) is the correct representation of physical systems governed by multi-regime behaviours. In these scenarios, standard data analysis techniques often fail to capture the nature of the…

机器学习 · 计算机科学 2026-02-26 Michele Cazzola , Alberto Ghione , Lucia Sargentini , Julien Nespoulous , Riccardo Finotello

The Best Estimate plus Uncertainty (BEPU) approach for nuclear systems modeling and simulation requires that the prediction uncertainty must be quantified in order to prove that the investigated design stays within acceptance criteria. A…

统计计算 · 统计学 2023-03-24 Ziyu Xie , Farah Alsafadi , Xu Wu

Deep learning is gaining increasing popularity for spatiotemporal forecasting. However, prior works have mostly focused on point estimates without quantifying the uncertainty of the predictions. In high stakes domains, being able to…

人工智能 · 计算机科学 2021-06-15 Dongxia Wu , Liyao Gao , Xinyue Xiong , Matteo Chinazzi , Alessandro Vespignani , Yi-An Ma , Rose Yu

Uncertainty Quantification (UQ) is essential for creating trustworthy machine learning models. Recent years have seen a steep rise in UQ methods that can flag suspicious examples, however, it is often unclear what exactly these methods…

机器学习 · 计算机科学 2023-10-31 Hao Sun , Boris van Breugel , Jonathan Crabbe , Nabeel Seedat , Mihaela van der Schaar

Generative video models demonstrate impressive text-to-video capabilities, spurring widespread adoption in many real-world applications. However, like large language models (LLMs), video generation models tend to hallucinate, producing…

计算机视觉与模式识别 · 计算机科学 2025-10-06 Zhiting Mei , Ola Shorinwa , Anirudha Majumdar

In this paper, we adopt conformal prediction, a distribution-free uncertainty quantification (UQ) framework, to obtain confidence prediction intervals with coverage guarantees for Deep Operator Network (DeepONet) regression. Initially, we…

机器学习 · 计算机科学 2024-02-26 Christian Moya , Amirhossein Mollaali , Zecheng Zhang , Lu Lu , Guang Lin

Deep learning models for semantic segmentation are prone to poor performance in real-world applications due to the highly challenging nature of the task. Model uncertainty quantification (UQ) is one way to address this issue of lack of…

计算机视觉与模式识别 · 计算机科学 2022-11-04 Rishabh Singh , Jose C. Principe

System Identification (SysID) is crucial for modeling and understanding dynamical systems using experimental data. While traditional SysID methods emphasize linear models, their inability to fully capture nonlinear dynamics has driven the…

机器学习 · 计算机科学 2025-04-29 Mehmet Ali Ferah , Tufan Kumbasar

The role of uncertainty quantification (UQ) in deep learning has become crucial with growing use of predictive models in high-risk applications. Though a large class of methods exists for measuring deep uncertainties, in practice, the…

机器学习 · 统计学 2019-11-01 Bindya Venkatesh , Jayaraman J. Thiagarajan

Robust uncertainty quantification (UQ) remains a critical barrier to the safe deployment of deep learning in real-time virtual sensing, particularly in high-stakes domains where sparse, noisy, or non-collocated sensor data are the norm. We…

机器学习 · 计算机科学 2025-07-17 Kazuma Kobayashi , Shailesh Garg , Farid Ahmed , Souvik Chakraborty , Syed Bahauddin Alam

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…

Large Language Models (LLMs) have the tendency to hallucinate, i.e., to sporadically generate false or fabricated information. This presents a major challenge, as hallucinations often appear highly convincing and users generally lack the…