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Partial differential equations (PDEs) are fundamental for theoretically describing numerous physical processes that are based on some input fields in spatial configurations. Understanding the physical process, in general, requires…

Numerical Analysis · Mathematics 2020-10-16 Mahadevan Ganesh , Stuart C Hawkins , Alexandre Tartakovsky , Ramakrishna Tipireddy

Deep learning-based surrogate models have demonstrated remarkable advantages over classical solvers in terms of speed, often achieving speedups of 10 to 1000 times over traditional partial differential equation (PDE) solvers. However, a…

Machine Learning · Computer Science 2024-02-14 Tailin Wu , Willie Neiswanger , Hongtao Zheng , Stefano Ermon , Jure Leskovec

We analyze an ensemble-based approach for uncertainty quantification (UQ) in atomistic neural networks. This method generates an epistemic uncertainty signal without requiring changes to the underlying multi-headed regression neural network…

Chemical Physics · Physics 2025-11-21 Idan Fonea , Amir Peles , Sivan Niv , Goren Gordon , Amir Natan

We present a simple and effective approach for posterior uncertainty quantification in deep operator networks (DeepONets); an emerging paradigm for supervised learning in function spaces. We adopt a frequentist approach based on randomized…

Machine Learning · Computer Science 2022-08-17 Yibo Yang , Georgios Kissas , Paris Perdikaris

In the realm of deep neural network deployment, low-bit quantization presents a promising avenue for enhancing computational efficiency. However, it often hinges on the availability of training data to mitigate quantization errors, a…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Yuhang Li , Youngeun Kim , Donghyun Lee , Souvik Kundu , Priyadarshini Panda

Neural operators (NOs) provide fast, resolution-invariant surrogates for mapping input fields to PDE solution fields, but their predictions can exhibit significant epistemic uncertainty due to finite data, imperfect optimization, and…

Machine Learning · Computer Science 2026-03-13 Haoze Song , Zhihao Li , Mengyi Deng , Xin Li , Duyi Pan , Zhilu Lai , Wei Wang

It is critical that machine learning (ML) model predictions be trustworthy for high-throughput catalyst discovery approaches. Uncertainty quantification (UQ) methods allow estimation of the trustworthiness of an ML model, but these methods…

Machine Learning · Computer Science 2023-02-07 Cameron Gruich , Varun Madhavan , Yixin Wang , Bryan Goldsmith

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,…

Machine Learning · Computer Science 2023-09-21 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

Operator learning offers a robust framework for approximating mappings between infinite-dimensional function spaces. It has also become a powerful tool for solving inverse problems in the computational sciences. This chapter surveys…

Numerical Analysis · Mathematics 2025-12-08 Nicholas H. Nelsen , Yunan Yang

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural…

High Energy Physics - Experiment · Physics 2023-11-02 Dae Heun Koh , Aashwin Mishra , Kazuhiro Terao

Effective Uncertainty Quantification (UQ) represents a key aspect for reliable deployment of Large Language Models (LLMs) in automated decision-making and beyond. Yet, for LLM generation with multiple choice structure, the state-of-the-art…

Machine Learning · Computer Science 2025-11-18 Ramzi Dakhmouche , Adrien Letellier , Hossein Gorji

While neural networks have demonstrated impressive performance across various tasks, accurately quantifying uncertainty in their predictions is essential to ensure their trustworthiness and enable widespread adoption in critical systems.…

Machine Learning · Statistics 2025-11-11 Joseph Wilson , Chris van der Heide , Liam Hodgkinson , Fred Roosta

This work introduces the network uncertainty quantification (NetUQ) method for performing uncertainty propagation in systems composed of interconnected components. The method assumes the existence of a collection of components, each of…

Numerical Analysis · Mathematics 2019-09-02 Kevin Carlberg , Sofia Guzzetti , Mohammad Khalil , Khachik Sargsyan

Multiple operator learning concerns learning operator families $\{G[\alpha]:U\to V\}_{\alpha\in W}$ indexed by an operator descriptor $\alpha$. Training data are collected hierarchically by sampling operator instances $\alpha$, then input…

Machine Learning · Computer Science 2026-04-03 Adrien Weihs , Hayden Schaeffer

The Bayesian inference approach is widely used to tackle inverse problems due to its versatile and natural ability to handle ill-posedness. However, it often faces challenges when dealing with situations involving continuous fields or…

Numerical Analysis · Mathematics 2023-08-28 Xinchao Jiang , Xin Wang , Ziming Wen , Hu Wang

Operator learning aims to discover properties of an underlying dynamical system or partial differential equation (PDE) from data. Here, we present a step-by-step guide to operator learning. We explain the types of problems and PDEs amenable…

Numerical Analysis · Mathematics 2025-04-30 Nicolas Boullé , Alex Townsend

Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…

Signal Processing · Electrical Eng. & Systems 2025-12-03 Huian Yang , Rajeev Sahay

Various engineering systems such as naval and aerial vehicles, offshore structures, and mechanical components of motorized systems, are exposed to fatigue failures due to stochastic loadings. Methods for early failure prediction are…

Machine Learning · Computer Science 2021-04-06 Maor Farid

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…

Methodology · Statistics 2023-07-25 Eva-Maria Walz , Alexander Henzi , Johanna Ziegel , Tilmann Gneiting

The nonuniform quantization strategy for compressing neural networks usually achieves better performance than its counterpart, i.e., uniform strategy, due to its superior representational capacity. However, many nonuniform quantization…

Computer Vision and Pattern Recognition · Computer Science 2022-04-08 Zechun Liu , Kwang-Ting Cheng , Dong Huang , Eric Xing , Zhiqiang Shen