Geology topics

Alexandre Tartakovsky

Publications and source records attributed to Alexandre Tartakovsky.

3 recordsLinked to original sources

USGS2025

Total uncertainty quantification in inverse solutions with deep learning surrogate models

We propose an approximate Bayesian method for quantifying the total uncertainty in inverse partial differential equation (PDE) solutions obtained with machine learning surrogate models, including operator learning models. The proposed method accounts for uncertainty in the observations, PDE, and surrogate models. First, we use the surrogate model to formulate a minimization problem in the reduced space for the maximum a posteriori (MAP) inverse solution. Then, we randomize the MAP objective function and obtain samples of the posterior distribution by minimizing different realizations of the objective function. We test the proposed framework by comparing it with the iterative ensemble smoother and deep ensembling methods for a nonlinear diffusion equation with an unknown space-dependent diffusion coefficient. Among other applications, this equation describes the flow of groundwater in an unconfined aquifer. Depending on the training dataset and ensemble sizes, the proposed method provides similar or more descriptive posteriors of the parameters and states than the iterative ensemble smoother method. Deep ensembling underestimates uncertainty and provides less-informative posteriors than the other two methods. Our results show that, despite inherent uncertainty, surrogate models can be used for parameter and state estimation as an alternative to the inverse methods relying on (more accurate) numerical PDE solvers.

Journal of Computational Physics↗

USGS2025

Karhunen–Loève deep learning method for surrogate modeling and approximate Bayesian parameter estimation

We evaluate the performance of the Karhunen–Loève Deep Neural Network (KL-DNN) framework for surrogate modeling and approximate Bayesian parameter estimation in partial differential equation models. In the surrogate model, the Karhunen–Loève (KL) expansions are used for the dimensionality reduction of the number of unknown parameters and variables, and a deep neural network is employed to relate the reduced space of parameters to that of the state variables. The KL-DNN surrogate model is used to formulate a maximum-a-posteriori-like least-squares problem, which is randomized to draw samples of the posterior distribution of the parameters. We test the proposed framework for a hypothetical unconfined aquifer via comparison with the forward MODFLOW and inverse PEST++ iterative ensemble smoother (IES) solutions as well as the state-of-the-art Fourier neural operator (FNO) and deep operator networks (DeepONets) operator learning surrogate models. Our results show that the KL-DNN surrogate model outperforms FNO and DeepONet for forward predictions. For solving inverse problems, the randomized algorithm provides the same or more accurate Bayesian predictions of the parameters than IES as evidenced by the higher log predictive probability of both the estimated parameter field and the forecast hydraulic head. The posterior mean obtained from the randomized algorithm is closer to the reference parameter field than that obtained with FNO as the maximum a posteriori estimate.

Advances in Water Resources↗

USGS2023

Differentiable modelling to unify machine learning and physical models for geosciences

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.

Nature Reviews Earth & Environment↗