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In nuclear reactor system design and safety analysis, the Best Estimate plus Uncertainty (BEPU) methodology requires that computer model output uncertainties must be quantified in order to prove that the investigated design stays within…

Computation · Statistics 2018-06-22 Xu Wu , Tomasz Kozlowski , Hadi Meidani , Koroush Shirvan

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks due to large training datasets and powerful transformer architecture. However, the reliability of responses from LLMs remains a question.…

Computation and Language · Computer Science 2025-02-26 Tiejin Chen , Xiaoou Liu , Longchao Da , Jia Chen , Vagelis Papalexakis , Hua Wei

The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…

Systems and Control · Electrical Eng. & Systems 2024-11-21 Mengshuo Jia , Zeyu Cui , Gabriela Hug

Modern Large Language Models (LLMs) often require external tools, such as machine learning classifiers or knowledge retrieval systems, to provide accurate answers in domains where their pre-trained knowledge is insufficient. This…

Machine Learning · Computer Science 2025-05-23 Panagiotis Lymperopoulos , Vasanth Sarathy

Universal machine learning interatomic potentials (uMLIPs) are reshaping atomistic simulation as foundation models, delivering near \textit{ab initio} accuracy at a fraction of the cost. Yet the lack of reliable, general uncertainty…

Materials Science · Physics 2025-07-30 Kai Liu , Zixiong Wei , Wei Gao , Poulumi Dey , Marcel H. F. Sluiter , Fei Shuang

Uncertainty and confidence have been shown to be useful metrics in a wide variety of techniques proposed for deep learning testing, including test data selection and system supervision.We present uncertainty-wizard, a tool that allows to…

Machine Learning · Computer Science 2021-01-29 Michael Weiss , Paolo Tonella

Uncertainty Quantification (UQ) is vital to safety-critical model-based analyses, but the widespread adoption of sophisticated UQ methods is limited by technical complexity. In this paper, we introduce UM-Bridge (the UQ and Modeling…

The inherent complexity of boundary plasma, characterized by multi-scale and multi-physics challenges, has historically restricted high-fidelity simulations to scientific research due to their intensive computational demands. Consequently,…

Plasma Physics · Physics 2025-06-10 Ben Zhu , Menglong Zhao , Xue-Qiao Xu , Anchal Gupta , KyuBeen Kwon , Xinxing Ma , David Eldon

In modern process industries, data-driven models are important tools for real-time monitoring when key performance indicators are difficult to measure directly. While accurate predictions are essential, reliable uncertainty quantification…

Machine Learning · Computer Science 2026-04-07 Yiran Ma , Jerome Le Ny , Zhichao Chen , Zhihuan Song

Uncertainty quantification (UQ) in deep learning regression is of wide interest, as it supports critical applications including sequential decision making and risk-sensitive tasks. In heteroskedastic regression, where the uncertainty of the…

Machine Learning · Computer Science 2026-03-03 Mikkel Jordahn , Jonas Vestergaard Jensen , James Harrison , Michael Riis Andersen , Mikkel N. Schmidt

Quantum key distribution (QKD) is an ingenious technology utilizing quantum information science for provable secure communication. However, owing to the technological limitations and device non-idealities it is important to analyze the…

Quantum Physics · Physics 2022-04-20 Anuj Sethia , Anindita Banerjee

Materials engineering using atomistic modeling is an essential tool for the development of qubits and quantum sensors. Traditional density-functional theory (DFT) does however not adequately capture the complete physics involved, including…

Deep Reinforcement Learning (RL) has considerably advanced over the past decade. At the same time, state-of-the-art RL algorithms require a large computational budget in terms of training time to converge. Recent work has started to…

Large language models have become proficient at generating functional code, but ensuring the output truly matches the programmer's intent remains difficult. Testing improves trust, yet for safety-critical applications, formal verification…

Software Engineering · Computer Science 2026-02-03 Mantas Baksys , Stefan Zetzsche , Olivier Bouissou , Remi Delmas , Soonho Kong , Sean B. Holden

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

A Python package for post-processing of plane two-dimensional data from computational fluid dynamics simulations is presented. The package, called turbulucid, provides means for scripted, reproducible analysis of large simulation campaigns…

Computational Engineering, Finance, and Science · Computer Science 2018-07-26 Timofey Mukha

This document serves as the manual for using the EQUiPS (Enabling Quantification of Uncertainty in Physics Simulations) module in SU2. The EQUiPS module uses the Eigenspace Perturbation methodology to provide interval bounds on Quantities…

Computational Engineering, Finance, and Science · Computer Science 2020-09-16 Jayant Mukhopadhaya

This paper describes the treatment of systematic uncertainties in a Likelihood formalism. RooUnfold, which includes most of the unfolding methods that are commonly used in particle physics, is used to compare a newly implemented method…

High Energy Physics - Experiment · Physics 2025-10-20 Lydia Brenner , Carsten Burgard , Vincent Alexander Croft

Estimates of predictive uncertainty are important for accurate model-based planning and reinforcement learning. However, predictive uncertainties---especially ones derived from modern deep learning systems---can be inaccurate and impose a…

Machine Learning · Computer Science 2019-06-21 Ali Malik , Volodymyr Kuleshov , Jiaming Song , Danny Nemer , Harlan Seymour , Stefano Ermon

Numerical simulation is an important method for verifying the quantum circuits used to simulate low-energy nuclear states. However, real-world applications of quantum computing for nuclear theory often generate deep quantum circuits that…

Quantum Physics · Physics 2024-06-06 Ang Li , Alessandro Baroni , Ionel Stetcu , Travis S. Humble