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Engineering design and scientific analysis rely upon computer simulations of turbulent fluid flows using turbulence models. These turbulence models are empirical and approximate, leading to large uncertainties in their predictions that…

Fluid Dynamics · Physics 2024-05-28 Minghan Chu , Weicheng Qian

In recent years, machine learning methods represented by deep neural networks (DNN) have been a new paradigm of turbulence modeling. However, in the scenario of high Reynolds numbers, there are still some bottlenecks, including the lack of…

Fluid Dynamics · Physics 2022-11-02 Z. Y. Wang , W. W. Zhang

Machine learning (ML) offers transformative potential for computational fluid dynamics (CFD), promising to accelerate simulations, improve turbulence modelling, and enable real-time flow prediction and control-capabilities that could…

Fluid Dynamics · Physics 2026-02-24 Zachary Cooper-Baldock , Paulo E. Santos , Russell S. A. Brinkworth , Karl Sammut

Many important tasks in chemistry revolve around molecules during reactions. This requires predictions far from the equilibrium, while most recent work in machine learning for molecules has been focused on equilibrium or near-equilibrium…

Machine Learning · Computer Science 2022-04-06 Johannes Gasteiger , Shankari Giri , Johannes T. Margraf , Stephan Günnemann

Ensemble forecasting is, so far, the most successful approach to produce relevant forecasts with an estimation of their uncertainty. The main limitations of ensemble forecasting are the high computational cost and the difficulty to capture…

Machine Learning · Computer Science 2022-12-21 Maximiliano A. Sacco , Juan J. Ruiz , Manuel Pulido , Pierre Tandeo

The prediction of streamflows and other environmental variables in unmonitored basins is a grand challenge in hydrology. Recent machine learning (ML) models can harness vast datasets for accurate predictions at large spatial scales.…

Machine Learning · Computer Science 2024-10-29 Jared D. Willard , Fabio Ciulla , Helen Weierbach , Vipin Kumar , Charuleka Varadharajan

In this study, we developed an Evidence-based Ensemble Neural Network, namely EVENet, for anatomical brain parcellation using diffusion MRI. The key innovation of EVENet is the design of an evidential deep learning framework to quantify…

In self-supervised robotic learning, agents acquire data through active interaction with their environment, incurring costs such as energy use, human oversight, and experimental time. To mitigate these, sample-efficient exploration is…

Robotics · Computer Science 2025-05-29 Mehmet Arda Eren , Erhan Oztop

Scientific modeling faces a tradeoff between the interpretability of mechanistic theory and the predictive power of machine learning. While existing hybrid approaches have made progress by incorporating domain knowledge into machine…

Machine Learning · Computer Science 2026-04-15 Carson Dudley , Reiden Magdaleno , Christopher Harding , Marisa Eisenberg

Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions,…

In this work, we use ML techniques to develop presumed PDF models for large eddy simulations of reacting flows. The joint sub-filter PDF of mixture fraction and progress variable is modeled using various ML algorithms and commonly used…

Computational Physics · Physics 2019-09-04 Marc T. Henry de Frahan , Shashank Yellapantula , Ryan King , Marc S. Day , Ray W. Grout

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatio-temporal scales have enabled the rapid advancement of data-driven and especially deep learning…

Computational Physics · Physics 2024-06-19 Suraj Pawar , Omer San , Aditya Nair , Adil Rasheed , Trond Kvamsdal

Uncertainty estimation is critical for reliable medical image segmentation, particularly in retinal vessel analysis, where accurate predictions are essential for diagnostic applications. Deep Ensembles, where multiple networks are trained…

Computer Vision and Pattern Recognition · Computer Science 2025-09-16 Jeremiah Fadugba , Petru Manescu , Bolanle Oladejo , Delmiro Fernandez-Reyes , Philipp Berens

Scientific applications that involve simulation ensembles can be accelerated greatly by using experiment design methods to select the best simulations to perform. Methods that use machine learning (ML) to create proxy models of simulations…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-16 Logan Ward , Ganesh Sivaraman , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Naveen Dandu , Paul C. Redfern , Rajeev S. Assary , Kyle Chard , Larry A. Curtiss , Rajeev Thakur , Ian Foster

Deep Learning research is advancing at a fantastic rate, and there is much to gain from transferring this knowledge to older fields like Computational Fluid Dynamics in practical engineering contexts. This work compares state-of-the-art…

Computational Physics · Physics 2020-10-01 Pierre Jacquier , Azzedine Abdedou , Vincent Delmas , Azzeddine Soulaimani

Deep neural networks have achieved increasingly accurate results on a wide variety of complex tasks. However, much of this improvement is due to the growing use and availability of computational resources (e.g use of GPUs, more layers, more…

Machine Learning · Computer Science 2018-08-03 Ini Oguntola , Subby Olubeko , Christopher Sweeney

The development of scramjet engines is an important research area for advancing hypersonic and orbital flights. Progress toward optimal engine designs requires accurate flow simulations together with uncertainty quantification. However,…

Data Analysis, Statistics and Probability · Physics 2018-03-14 Xun Huan , Cosmin Safta , Khachik Sargsyan , Gianluca Geraci , Michael S. Eldred , Zachary P. Vane , Guilhem Lacaze , Joseph C. Oefelein , Habib N. Najm

Time dependent reliability analysis and uncertainty quantification of structural system subjected to stochastic forcing function is a challenging endeavour as it necessitates considerable computational time. We investigate the efficacy of…

Machine Learning · Statistics 2022-02-01 Shailesh Garg , Harshit Gupta , Souvik Chakraborty

This paper presents a new approach for training two-stage object detection ensemble models, more specifically, Faster R-CNN models to estimate uncertainty. We propose training one Region Proposal Network(RPN) and multiple Fast R-CNN…

Computer Vision and Pattern Recognition · Computer Science 2023-12-29 Denis Mbey Akola , Gianni Franchi

Machine learning techniques are becoming an integral component of data analysis in High Energy Physics (HEP). These tools provide a significant improvement in sensitivity over traditional analyses by exploiting subtle patterns in…

Data Analysis, Statistics and Probability · Physics 2021-10-04 Aishik Ghosh , Benjamin Nachman , Daniel Whiteson