arXiv Machine Learning

Entropy-Constrained Machine Learning with Residual Data Augmentation for Modeling Chemical Kinetics

arXiv:2607. 09582v1 Announce Type: cross Abstract: We present a physics-constrained machine learning framework for accelerating the direct numerical simulation (DNS) of turbulent reacting flows.

arXiv Machine Learning
Aug 4

Efficient nonlinear flame response modeling for propulsion thermoacoustic analysis using limited numerical data

arXiv:2409. 05885v2 Announce Type: replace Abstract: Characterizing nonlinear flame response is critical for predicting thermoacoustic instabilities in propulsion combustors, yet obtaining a comprehensive response map through high-fidelity simulations remains computationally prohibitive.

By Jiawei Wu, Teng Wang, Jiaqi Nan, Wang Han, Lijun Yang, Jingxuan Li
arXiv Machine Learning
Jun 11

Deep Learning of Solver-Aware Turbulence Closures from Nudged LES Dynamics

arXiv:2604. 23874v3 Announce Type: replace-cross Abstract: The differentiable physics paradigm may be leveraged as an a-posteriori approach for discovering turbulence closure models by embedding a neural network parameterization directly inside the solver and optimizing it given potentially sparse target data.

By Ashwin Suriyanarayanan, Dibyajyoti Chakraborty, Romit Maulik
arXiv Machine Learning
1d ago

A Generative Deep Learning Workflow for Inverse Molecular Design of Fuels

arXiv:2504. 12075v4 Announce Type: replace Abstract: In the present work, a generative deep learning framework combining a Co-optimized Variational Autoencoder (Co-VAE) with quantitative structure-property relationship (QSPR) techniques is developed to enable inverse molecular design of fuels.

By Kiran K. Yalamanchi, Pinaki Pal, Balaji Mohan, Abdullah S. AlRamadan, Jihad A. Badra, Yuanjiang Pei
arXiv AI
1d ago

Data-knowledge dual-driven intelligent framework for full-chain, experiment-efficient synthesis of 2D dendrites

arXiv:2603. 16959v2 Announce Type: replace-cross Abstract: Exemplified by the chemical vapor deposition growth of two-dimensional dendrites, which has potential applications in catalysis and presents a parameter-intensive, data-scarce and reaction process-complex model problem, we devise a machine intelligence-empowered framework for the full chain support of material synthesis, encompassing rapid process optimization, accurate customized synthesis, and comprehensive mechanism deciphering.

By Wenqiang Huang, Xuhang Gu, Susu Fang, Shen'ao Xue, Huanhuan Xing, Junjie Jiang, Junying Zhang, Shen Zhou, Zheng Luo, Jin Zhang, Fangping Ouyang, Shanshan Wang
arXiv Machine Learning
Jun 25

A Zeroth-Order Deep Learning Method for Fully Nonlinear Parabolic Partial Differential Equations with Unknown Coefficients

arXiv:2606. 24999v1 Announce Type: new Abstract: High-dimensional partial differential equations (PDEs) with unknown coefficients arise widely in scientific machine learning, including continuous-time reinforcement learning, yet solving them efficiently in a data-driven way remains challenging.

By Yanwei Jia, Du Ouyang, Huy\^en Pham, Xun Yu Zhou
Hugging Face Trending Papers
Jun 17

Advances in Scientific Machine Learning for Coupled Fluid Flow and Transport

This chapter reviews recent advances in Scientific Machine Learning (SciML) for modeling coupled fluid flow and transport phenomena governed by the incompressible Navier-Stokes and scalar transport equations. Such systems, found in applications like turbidity currents and thermal convection, feature strong nonlinear coupling and multiscale behavior that make high-fidelity simulations computationally expensive.