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In many applications in engineering and sciences analysts have simultaneous access to multiple data sources. In such cases, the overall cost of acquiring information can be reduced via data fusion or multi-fidelity (MF) modeling where one…

Machine Learning · Computer Science 2023-07-26 Carlos Mora , Jonathan Tammer Eweis-Labolle , Tyler Johnson , Likith Gadde , Ramin Bostanabad

Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Materials Science · Physics 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

The uncertainty quantification of prediction models (e.g., neural networks) is crucial for their adoption in many robotics applications. This is arguably as important as making accurate predictions, especially for safety-critical…

Robotics · Computer Science 2024-04-09 Junan Chen , Josephine Monica , Wei-Lun Chao , Mark Campbell

Machine-learning (ML) techniques provide a new and encouraging perspective for constructing turbulence models for Reynolds-averaged Navier--Stokes (RANS) simulations. In this study, an iterative ML-RANS computational framework is proposed…

Fluid Dynamics · Physics 2021-07-27 Weishuo Liu , Jian Fang , Stefano Rolfo , Charles Moulinec , David R Emerson

Uncertainty in machine learning is not generally taught as general knowledge in Machine Learning course curricula. In this paper we propose a short curriculum for a course about uncertainty in machine learning, and complement the course…

Machine Learning · Computer Science 2021-08-20 Matias Valdenegro-Toro

Traffic congestion occurs as travel demand exceeds network capacity, necessitating a thorough understanding of network capacity for effective traffic control and management. The macroscopic fundamental diagram (MFD) provides an efficient…

Physics and Society · Physics 2025-08-28 Wenfei Ma , Yunping Huang , Nan Zheng , Tianlu Pan , Renxin Zhong

The study of complex systems is often based on computationally intensive, high-fidelity, simulations. To build confidence in the prediction accuracy of such simulations, the impact of uncertainties in model inputs on the quantities of…

Computational Physics · Physics 2018-01-19 Lluis Jofre , Gianluca Geraci , Hillary Fairbanks , Alireza Doostan , Gianluca Iaccarino

An uncertainty quantification framework is developed for Eulerian-Lagrangian models of particle-laden flows, where the fluid is modeled through a system of partial differential equations in the Eulerian frame and inertial particles are…

Computational Physics · Physics 2018-11-01 Vasileios Fountoulakis , H. S. Udaykumar , Gustaaf B. Jacobs

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

Random forests are popular methods for regression and classification analysis, and many different variants have been proposed in recent years. One interesting example is the Mondrian random forest, in which the underlying constituent trees…

Statistics Theory · Mathematics 2025-11-10 Matias D. Cattaneo , Jason M. Klusowski , William G. Underwood

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

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

Reliable uncertainty quantification is essential for the use of machine learning in physics, where scientific discoveries depend on validated probabilistic statements. We provide a structured overview of uncertainty quantification in ML for…

Machine Learning · Statistics 2026-05-12 Manuel Haußmann , Ramon Winterhalder , Maria Ubiali

Accurately estimating uncertainties in neural network predictions is of great importance in building trusted DNNs-based models, and there is an increasing interest in providing accurate uncertainty estimation on many tasks, such as security…

Machine Learning · Computer Science 2020-07-14 Yukun Ding , Jinglan Liu , Jinjun Xiong , Yiyu Shi

Leveraging neural networks as surrogate models for turbulence simulation is a topic of growing interest. At the same time, embodying the inherent uncertainty of simulations in the predictions of surrogate models remains very challenging.…

Fluid Dynamics · Physics 2024-10-10 Qiang Liu , Nils Thuerey

Fair machine learning (ML) methods help identify and mitigate the risk that algorithms encode or automate social injustices. Algorithmic approaches alone cannot resolve structural inequalities, but they can support socio-technical decision…

Machine Learning · Computer Science 2026-04-24 Michelle Seng Ah Lee , Kirtan Padh , David Watson , Niki Kilbertus , Jatinder Singh

As machine learning (ML) models are increasingly being employed to assist human decision makers, it becomes critical to provide these decision makers with relevant inputs which can help them decide if and how to incorporate model…

Machine Learning · Computer Science 2023-06-14 Sean McGrath , Parth Mehta , Alexandra Zytek , Isaac Lage , Himabindu Lakkaraju

A critical limitation of current methods based on Neural Radiance Fields (NeRF) is that they are unable to quantify the uncertainty associated with the learned appearance and geometry of the scene. This information is paramount in real…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Jianxiong Shen , Antonio Agudo , Francesc Moreno-Noguer , Adria Ruiz

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Turbulence poses challenges for numerical simulation due to its chaotic, multiscale nature and high computational cost. Traditional turbulence modeling often struggles with accuracy and long-term stability. Recent scientific machine…

Fluid Dynamics · Physics 2026-03-06 Xintong Zou , Zhijie Li , Yunpeng Wang , Huiyu Yang , Jianchun Wang
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