Despite great progress in simulating multiphysics problems using the numerical discretization of partial differential equations (PDEs), one still cannot seamlessly incorporate noisy data into existing algorithms, mesh generation remains complex, and high-dimensional problems governed by parameterized PDEs cannot be tackled. Moreover, solving inverse problems with hidden physics is often prohibitively expensive and requires different formulations and elaborate computer codes. Machine learning has emerged as a promising alternative, but training deep neural networks requires big data, not always available for scientific problems. Instead, such networks can be trained from additional information obtained by enforcing the physical laws (for example, at random points in the continuous space-time domain). Such physics-informed learning integrates (noisy) data and mathematical models, and implements them through neural networks or other kernel-based regression networks. Moreover, it may be possible to design specialized network architectures that automatically satisfy some of the physical invariants for better accuracy, faster training and improved generalization. Here, we review some of the prevailing trends in embedding physics into machine learning, present some of the current capabilities and limitations and discuss diverse applications of physics-informed learning both for forward and inverse problems, including discovering hidden physics and tackling high-dimensional problems. The rapidly developing field of physics-informed learning integrates data and mathematical models seamlessly, enabling accurate inference of realistic and high-dimensional multiphysics problems. This Review discusses the methodology and provides diverse examples and an outlook for further developments.

Physics-informed machine learning

Most numerical integration techniques consist of approximating the integrand by a polynomial in a region or regions and then integrating the polynomial exactly. Often a complicated integrand can be factored into a non-negative ''weight'' function and another function better approximated by a polynomial, thus $\int_{a}^{b} g(t)dt = \int_{a}^{b} \omega (t)f(t)dt \approx \sum_{i=1}^{N} w_i f(t_i)$. Hopefully, the quadrature rule ${\{w_j, t_j\}}_{j=1}^{N}$ corresponding to the weight function $\omega$(t) is available in tabulated form, but more likely it is not. We present here two algorithms for generating the Gaussian quadrature rule defined by the weight function when: a) the three term recurrence relation is known for the orthogonal polynomials generated by $\omega$(t), and b) the moments of the weight function are known or can be calculated.

Calculation of Gauss quadrature rules.

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Linear And Nonlinear Programming

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Mathematical Methods Of Statistics

Surrogate modeling for fluid flows based on physics-constrained deep learning without simulation data

Learning constitutive relations using symmetric positive definite neural networks

Learning constitutive relations from indirect observations using deep neural networks

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that measures the discrepancy between predictions and observations in some chosen norm. This loss function often includes the PDE constraints as a penalty term when only sparse observations are available. As a result, the PDE is only satisfied approximately by the solution. However, the penalty term typically slows down the convergence of the optimizer for stiff problems. We present a new approach that trains the embedded DNNs while numerically satisfying the PDE constraints. We develop an algorithm that enables differentiating both explicit and implicit numerical solvers in reverse-mode automatic differentiation. This allows the gradients of the DNNs and the PDE solvers to be computed in a unified framework. We demonstrate that our approach enjoys faster convergence and better stability in relatively stiff problems compared to the penalty method. Our approach allows for the potential to solve and accelerate a wide range of data-driven inverse modeling, where the physical constraints are described by PDEs and need to be satisfied accurately.

Physics Constrained Learning for Data-driven Inverse Modeling from Sparse Observations.

We describe a novel framework for estimating subsurface properties, such as rock permeability and porosity, from time-lapse observed seismic data by coupling full-waveform inversion, subsurface flow processes, and rock physics models For the inverse modeling, we handle the back-propagation of gradients by an intrusive automatic differentiation strategy that offers three levels of user control: (1) at the wave physics level, we adopted the discrete adjoint method in order to use our existing high-performance FWI code; (2) at the rock physics level, we used built-in operators from the $\texttt{TensorFlow}$ backend; (3) at the flow physics level, we implemented customized PDE operators for the potential and nonlinear saturation equations These three levels of gradient computation strike a good balance between computational efficiency and programming efficiency, and when chained together, constitute a coupled inverse system We use numerical experiments to demonstrate that (1) the three-level coupled inverse problem is superior in terms of accuracy to a traditional decoupled inversion strategy; (2) it is able to simultaneously invert for parameters in empirical relationships such as the rock physics models; and (3) the inverted model can be used for reservoir performance prediction and reservoir management/optimization purposes

Kailai Xu

Papers

Learning constitutive relations using symmetric positive definite neural networks

Learning constitutive relations from indirect observations using deep neural networks

Physics Constrained Learning for Data-driven Inverse Modeling from Sparse Observations.

Coupled Time‐lapse Full Waveform Inversion for Subsurface Flow Problems using Intrusive Automatic Differentiation

A general approach to seismic inversion with automatic differentiation