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This study presents a systematic analysis of the capabilities of a flamelet model based on Flamelet Generated Manifolds (FGM) to reproduce preferential diffusion effects in partially premixed hydrogen flames. Detailed transport effects are…

Fluid Dynamics · Physics 2023-12-05 Eduardo Javier Pérez-Sánchez , Emiliano Manuel Fortes , Daniel Mira

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-11-14 Amol Salunkhe , Dwyer Deighan , Paul Desjardin , Varun Chandola

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-02-22 Amol Salunkhe , Dwyer Deighan , Paul DesJardin , Varun Chandola

Flamelet models are widely used in computational fluid dynamics to simulate thermochemical processes in turbulent combustion. These models typically employ memory-expensive lookup tables that are predetermined and represent the combustion…

Machine Learning · Computer Science 2023-08-07 Franz M. Rohrhofer , Stefan Posch , Clemens Gößnitzer , José M. García-Oliver , Bernhard C. Geiger

This study explores the integration of machine learning (ML) techniques with large eddy simulation (LES) for predicting species mass fraction and flame characteristics in partially premixed turbulent jet flames. The LES simulations,…

Fluid Dynamics · Physics 2025-05-05 Amirali Shateri , Zhiyin Yang , Jianfei Xie

Meshfree simulation methods are emerging as compelling alternatives to conventional mesh-based approaches, particularly in the fields of Computational Fluid Dynamics (CFD) and continuum mechanics. In this publication, we provide a…

Machine Learning · Computer Science 2024-03-21 Paulami Banerjee , Mohan Padmanabha , Chaitanya Sanghavi , Isabel Michel , Simone Gramsch

This manuscript proposes an optimization framework to find the tailor-made functionally graded material (FGM) profiles for thermoelastic applications. This optimization framework consists of (1) a random profile generation scheme, (2) deep…

Computational Engineering, Finance, and Science · Computer Science 2024-08-27 Piyush Agrawal , Ihina Mahajan , Shivam Choubey , Manish Agrawal

Emerging deep learning workloads urgently need fast general matrix multiplication (GEMM). To meet such demand, one of the critical features of machine-learning-specific accelerators such as NVIDIA Tensor Cores, AMD Matrix Cores, and Google…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-13 Bo Fang , Xinyi Li , Harvey Dam , Cheng Tan , Siva Kumar Sastry Hari , Timothy Tsai , Ignacio Laguna , Dingwen Tao , Ganesh Gopalakrishnan , Prashant Nair , Kevin Barker , Ang Li

Deep learning models typically use single-precision (FP32) floating point data types for representing activations and weights, but a slew of recent research work has shown that computations with reduced-precision data types (FP16, 16-bit…

Machine Learning · Computer Science 2021-01-15 Daya Khudia , Jianyu Huang , Protonu Basu , Summer Deng , Haixin Liu , Jongsoo Park , Mikhail Smelyanskiy

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML)…

Machine Learning · Statistics 2021-10-19 Rodolfo S. M. Freitas , Ágatha P. F. Lima , Cheng Chen , Fernando A. Rochinha , Daniel Mira , Xi Jiang

Computational Fluid Dynamics (CFD) is a major sub-field of engineering. Corresponding flow simulations are typically characterized by heavy computational resource requirements. Often, very fine and complex meshes are required to resolve…

Machine Learning · Computer Science 2021-02-26 Keefe Huang , Moritz Krügener , Alistair Brown , Friedrich Menhorn , Hans-Joachim Bungartz , Dirk Hartmann

Fine-tuning pre-trained large language models (LLMs) with limited hardware presents challenges due to GPU memory constraints. Various distributed fine-tuning methods have been proposed to alleviate memory constraints on GPU. However,…

Artificial Intelligence · Computer Science 2024-04-18 Taeho Kim , Yanming Wang , Vatshank Chaturvedi , Lokesh Gupta , Seyeon Kim , Yongin Kwon , Sangtae Ha

Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

The growth in computational power and data hungriness of Machine Learning has led to an important shift of research efforts towards the distribution of ML models on multiple machines, leading in even more powerful models. However, there…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-08 Andrew Mary Huet de Barochez , Stéphan Plassart , Sébastien Monnet

This article presents new hexagonal and pentagonal PEM fuel cell models. The models have been optimized after achieving improved cell performance. The input parameters of the multi-objective optimization algorithm were pressure and…

Neural and Evolutionary Computing · Computer Science 2023-10-18 Ali Jabbary , Nader Pourmahmoud , Mir Ali Asghar Abdollahi , Marc A. Rosen

In recent years, the use of machine learning-based surrogate models for computational fluid dynamics (CFD) simulations has emerged as a promising technique for reducing the computational cost associated with engine design optimization.…

Graph Neural Networks (GNNs) are the currently most effective methods for predicting molecular properties but there remains a need for more accurate models. GNN accuracy can be improved by increasing the model complexity but this also…

Machine Learning · Computer Science 2025-10-24 Teng Jiek See , Daokun Zhang , Mario Boley , David K. Chalmers

Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using an ML model, demands…

Chemical Physics · Physics 2024-03-13 Vivin Vinod , Ulrich Kleinekathöfer , Peter Zaspel

The recent trend towards Personalized Federated Learning (PFL) has garnered significant attention as it allows for the training of models that are tailored to each client while maintaining data privacy. However, current PFL techniques…

Machine Learning · Computer Science 2023-05-03 Yue Wu , Shuaicheng Zhang , Wenchao Yu , Yanchi Liu , Quanquan Gu , Dawei Zhou , Haifeng Chen , Wei Cheng
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