Neural operators for accelerating scientific simulations and design

被引:29
|
作者
Azizzadenesheli, Kamyar [1 ]
Kovachki, Nikola [1 ]
Li, Zongyi [2 ]
Liu-Schiaffini, Miguel [2 ]
Kossaifi, Jean [1 ]
Anandkumar, Anima [2 ]
机构
[1] NVIDIA, Santa Clara, CA USA
[2] Caltech, Pasadena, CA 91125 USA
基金
美国安德鲁·梅隆基金会;
关键词
UNIVERSAL APPROXIMATION; ALGORITHM; EQUATIONS;
D O I
10.1038/s42254-024-00712-5
中图分类号
O59 [应用物理学];
学科分类号
摘要
Scientific discovery and engineering design are currently limited by the time and cost of physical experiments. Numerical simulations are an alternative approach but are usually intractable for complex real-world problems. Artificial intelligence promises a solution through fast data-driven surrogate models. In particular, neural operators present a principled framework for learning mappings between functions defined on continuous domains, such as spatiotemporal processes and partial differential equations. Neural operators can extrapolate and predict solutions at new locations unseen during training. They can be integrated with physics and other domain constraints enforced at finer resolutions to obtain high-fidelity solutions and good generalization. Neural operators are differentiable, so they can directly optimize parameters for inverse design and other inverse problems. Neural operators can therefore augment, or even replace, existing numerical simulators in many applications, such as computational fluid dynamics, weather forecasting and material modelling, providing speedups of four to five orders of magnitude. Neural operators learn mappings between functions on continuous domains, such as spatiotemporal processes and partial differential equations, offering a fast, data-driven surrogate model solution for otherwise intractable numerical simulations of complex real-world problems.
引用
收藏
页码:320 / 328
页数:9
相关论文
共 50 条
  • [1] Accelerating HEP simulations with Neural Importance Sampling
    Deutschmann, Nicolas
    Goetz, Niklas
    JOURNAL OF HIGH ENERGY PHYSICS, 2024, 2024 (03)
  • [2] Accelerating spiking neural network simulations with PymoNNto and PymoNNtorch
    Vieth, Marius
    Rahimi, Ali
    Gorgan Mohammadi, Ashena
    Triesch, Jochen
    Ganjtabesh, Mohammad
    FRONTIERS IN NEUROINFORMATICS, 2024, 18
  • [3] Accelerating material design with the generative toolkit for scientific discovery
    Matteo Manica
    Jannis Born
    Joris Cadow
    Dimitrios Christofidellis
    Ashish Dave
    Dean Clarke
    Yves Gaetan Nana Teukam
    Giorgio Giannone
    Samuel C. Hoffman
    Matthew Buchan
    Vijil Chenthamarakshan
    Timothy Donovan
    Hsiang Han Hsu
    Federico Zipoli
    Oliver Schilter
    Akihiro Kishimoto
    Lisa Hamada
    Inkit Padhi
    Karl Wehden
    Lauren McHugh
    Alexy Khrabrov
    Payel Das
    Seiji Takeda
    John R. Smith
    npj Computational Materials, 9
  • [4] Accelerating material design with the generative toolkit for scientific discovery
    Manica, Matteo
    Born, Jannis
    Cadow, Joris
    Christofidellis, Dimitrios
    Dave, Ashish
    Clarke, Dean
    Teukam, Yves Gaetan Nana
    Giannone, Giorgio
    Hoffman, Samuel C.
    Buchan, Matthew
    Chenthamarakshan, Vijil
    Donovan, Timothy
    Hsu, Hsiang Han
    Zipoli, Federico
    Schilter, Oliver
    Kishimoto, Akihiro
    Hamada, Lisa
    Padhi, Inkit
    Wehden, Karl
    McHugh, Lauren
    Khrabrov, Alexy
    Das, Payel
    Takeda, Seiji
    Smith, John R.
    NPJ COMPUTATIONAL MATERIALS, 2023, 9 (01)
  • [5] Rethinking materials simulations: Blending direct numerical simulations with neural operators
    Oommen, Vivek
    Shukla, Khemraj
    Desai, Saaketh
    Dingreville, Remi
    Karniadakis, George Em
    NPJ COMPUTATIONAL MATERIALS, 2024, 10 (01)
  • [6] Accelerating Convergence of Fluid Dynamics Simulations with Convolutional Neural Networks
    Hajgato, Gergely
    Gyires-Toth, Balint
    Paal, Gyorgy
    PERIODICA POLYTECHNICA-MECHANICAL ENGINEERING, 2019, 63 (03): : 230 - 239
  • [7] Commentary: Accelerating spiking neural network simulations with PymoNNto and PymoNNtorch
    Plesser, Hans Ekkehard
    FRONTIERS IN NEUROINFORMATICS, 2024, 18
  • [8] Accelerating discrete dislocation dynamics simulations with graph neural networks
    Bertin, Nicolas
    Zhou, Fei
    JOURNAL OF COMPUTATIONAL PHYSICS, 2023, 487
  • [9] A Scalable Messaging System for Accelerating Discovery from Large Scale Scientific Simulations
    Jin, Tong
    Zhang, Fan
    Parashar, Manish
    Klasky, Scott
    Podhorszki, Norbert
    Abbasi, Hasan
    2012 19TH INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING (HIPC), 2012,
  • [10] Scientific Discovery Framework Accelerating Advanced Polymeric Materials Design
    Wang, Ran
    Fu, Teng
    Yang, Ya-Jie
    Song, Xuan
    Wang, Xiu-Li
    Wang, Yu-Zhong
    RESEARCH, 2024, 7