TY - JOUR
T1 - Differentiable modelling to unify machine learning and physical models for geosciences
AU - Shen, Chaopeng
AU - Appling, Alison P.
AU - Gentine, Pierre
AU - Bandai, Toshiyuki
AU - Gupta, Hoshin
AU - Tartakovsky, Alexandre
AU - Baity-Jesi, Marco
AU - Fenicia, Fabrizio
AU - Kifer, Daniel
AU - Li, Li
AU - Liu, Xiaofeng
AU - Ren, Wei
AU - Zheng, Yi
AU - Harman, Ciaran J.
AU - Clark, Martyn
AU - Farthing, Matthew
AU - Feng, Dapeng
AU - Kumar, Praveen
AU - Aboelyazeed, Doaa
AU - Rahmani, Farshid
AU - Song, Yalan
AU - Beck, Hylke
AU - Bindas, Tadd
AU - Dwivedi, Dipankar
AU - Fang, Kuai
AU - Höge, Marvin
AU - Rackauckas, Chris
AU - Mohanty, Binayak
AU - Roy, Tirthankar
AU - Xu, Chonggang
AU - Lawson, Kathryn
N1 - KAUST Repository Item: Exported on 2023-07-24
Acknowledgements: The authors are grateful for the discussion at the HydroML symposium, University Park, PA, May 2022, https://bit.ly/3g3DQNX , sponsored by National Science Foundation EAR #2015680 and Penn State Institute for Computational and Data Sciences. C.S., Y.S. and T.B. were supported by National Science Foundation Award EAR-2221880, Office of Science, US Department of Energy under award DE-SC0016605, and Cooperative Institute for Research to Operations in Hydrology (CIROH), award number A22-0307-S003, respectively. P.G. acknowledges funding from the National Science Foundational Science and Technology Center, Learning the Earth with Artificial intelligence and Physics (LEAP), award #2019625, and USMILE European Research Council grant. M. Wernimont at the US Geological Survey (USGS) greatly improved the presentation of Figs. and . A.P.A. was supported by the USGS Water Mission Area, Water Availability and Use Science Program. Any use of trade, firm or product names is for descriptive purposes only and does not imply endorsement by the US Government.
PY - 2023/7/11
Y1 - 2023/7/11
N2 - Process-based modelling offers interpretability and physical consistency in many domains of geosciences but struggles to leverage large datasets efficiently. Machine-learning methods, especially deep networks, have strong predictive skills yet are unable to answer specific scientific questions. In this Perspective, we explore differentiable modelling as a pathway to dissolve the perceived barrier between process-based modelling and machine learning in the geosciences and demonstrate its potential with examples from hydrological modelling. ‘Differentiable’ refers to accurately and efficiently calculating gradients with respect to model variables or parameters, enabling the discovery of high-dimensional unknown relationships. Differentiable modelling involves connecting (flexible amounts of) prior physical knowledge to neural networks, pushing the boundary of physics-informed machine learning. It offers better interpretability, generalizability, and extrapolation capabilities than purely data-driven machine learning, achieving a similar level of accuracy while requiring less training data. Additionally, the performance and efficiency of differentiable models scale well with increasing data volumes. Under data-scarce scenarios, differentiable models have outperformed machine-learning models in producing short-term dynamics and decadal-scale trends owing to the imposed physical constraints. Differentiable modelling approaches are primed to enable geoscientists to ask questions, test hypotheses, and discover unrecognized physical relationships. Future work should address computational challenges, reduce uncertainty, and verify the physical significance of outputs.
AB - Process-based modelling offers interpretability and physical consistency in many domains of geosciences but struggles to leverage large datasets efficiently. Machine-learning methods, especially deep networks, have strong predictive skills yet are unable to answer specific scientific questions. In this Perspective, we explore differentiable modelling as a pathway to dissolve the perceived barrier between process-based modelling and machine learning in the geosciences and demonstrate its potential with examples from hydrological modelling. ‘Differentiable’ refers to accurately and efficiently calculating gradients with respect to model variables or parameters, enabling the discovery of high-dimensional unknown relationships. Differentiable modelling involves connecting (flexible amounts of) prior physical knowledge to neural networks, pushing the boundary of physics-informed machine learning. It offers better interpretability, generalizability, and extrapolation capabilities than purely data-driven machine learning, achieving a similar level of accuracy while requiring less training data. Additionally, the performance and efficiency of differentiable models scale well with increasing data volumes. Under data-scarce scenarios, differentiable models have outperformed machine-learning models in producing short-term dynamics and decadal-scale trends owing to the imposed physical constraints. Differentiable modelling approaches are primed to enable geoscientists to ask questions, test hypotheses, and discover unrecognized physical relationships. Future work should address computational challenges, reduce uncertainty, and verify the physical significance of outputs.
UR - http://hdl.handle.net/10754/687139
UR - https://www.nature.com/articles/s43017-023-00450-9
UR - http://www.scopus.com/inward/record.url?scp=85164665046&partnerID=8YFLogxK
U2 - 10.1038/s43017-023-00450-9
DO - 10.1038/s43017-023-00450-9
M3 - Article
SN - 2662-138X
JO - Nature Reviews Earth and Environment
JF - Nature Reviews Earth and Environment
ER -