Data-driven discovery of "hidden physics" -- i.e., machine learning of differential equation models underlying observed data -- has recently been approached by embedding the discovery problem into a Gaussian Process regression of spatial data, treating and discovering unknown equation parameters as hyperparameters of a modified "physics informed" Gaussian Process kernel. This kernel includes the parametrized differential operators applied to a prior covariance kernel. We extend this framework to linear space-fractional differential equations. The methodology is compatible with a wide variety of fractional operators in $\mathbb{R}^d$ and stationary covariance kernels, including the Matern class, and can optimize the Matern parameter during training. We provide a user-friendly and feasible way to perform fractional derivatives of kernels, via a unified set of d-dimensional Fourier integral formulas amenable to generalized Gauss-Laguerre quadrature. The implementation of fractional derivatives has several benefits. First, it allows for discovering fractional-order PDEs for systems characterized by heavy tails or anomalous diffusion, bypassing the analytical difficulty of fractional calculus. Data sets exhibiting such features are of increasing prevalence in physical and financial domains. Second, a single fractional-order archetype allows for a derivative of arbitrary order to be learned, with the order itself being a parameter in the regression. This is advantageous even when used for discovering integer-order equations; the user is not required to assume a "dictionary" of derivatives of various orders, and directly controls the parsimony of the models being discovered. We illustrate on several examples, including fractional-order interpolation of advection-diffusion and modeling relative stock performance in the S&P 500 with alpha-stable motion via a fractional diffusion equation.

We present hidden fluid mechanics (HFM), a physics informed deep learning framework capable of encoding an important class of physical laws governing fluid motions, namely the Navier-Stokes equations. In particular, we seek to leverage the underlying conservation laws (i.e., for mass, momentum, and energy) to infer hidden quantities of interest such as velocity and pressure fields merely from spatio-temporal visualizations of a passive scaler (e.g., dye or smoke), transported in arbitrarily complex domains (e.g., in human arteries or brain aneurysms). Our approach towards solving the aforementioned data assimilation problem is unique as we design an algorithm that is agnostic to the geometry or the initial and boundary conditions. This makes HFM highly flexible in choosing the spatio-temporal domain of interest for data acquisition as well as subsequent training and predictions. Consequently, the predictions made by HFM are among those cases where a pure machine learning strategy or a mere scientific computing approach simply cannot reproduce. The proposed algorithm achieves accurate predictions of the pressure and velocity fields in both two and three dimensional flows for several benchmark problems motivated by real-world applications. Our results demonstrate that this relatively simple methodology can be used in physical and biomedical problems to extract valuable quantitative information (e.g., lift and drag forces or wall shear stresses in arteries) for which direct measurements may not be possible.

Classical numerical methods for solving partial differential equations suffer from the curse dimensionality mainly due to their reliance on meticulously generated spatio-temporal grids. Inspired by modern deep learning based techniques for solving forward and inverse problems associated with partial differential equations, we circumvent the tyranny of numerical discretization by devising an algorithm that is scalable to high-dimensions. In particular, we approximate the unknown solution by a deep neural network which essentially enables us to benefit from the merits of automatic differentiation. To train the aforementioned neural network we leverage the well-known connection between high-dimensional partial differential equations and forward-backward stochastic differential equations. In fact, independent realizations of a standard Brownian motion will act as training data. We test the effectiveness of our approach for a couple of benchmark problems spanning a number of scientific domains including Black-Scholes-Barenblatt and Hamilton-Jacobi-Bellman equations, both in 100-dimensions.

A long-standing problem at the interface of artificial intelligence and applied mathematics is to devise an algorithm capable of achieving human level or even superhuman proficiency in transforming observed data into predictive mathematical models of the physical world. In the current era of abundance of data and advanced machine learning capabilities, the natural question arises: How can we automatically uncover the underlying laws of physics from high-dimensional data generated from experiments? In this work, we put forth a deep learning approach for discovering nonlinear partial differential equations from scattered and potentially noisy observations in space and time. Specifically, we approximate the unknown solution as well as the nonlinear dynamics by two deep neural networks. The first network acts as a prior on the unknown solution and essentially enables us to avoid numerical differentiations which are inherently ill-conditioned and unstable. The second network represents the nonlinear dynamics and helps us distill the mechanisms that govern the evolution of a given spatiotemporal data-set. We test the effectiveness of our approach for several benchmark problems spanning a number of scientific domains and demonstrate how the proposed framework can help us accurately learn the underlying dynamics and forecast future states of the system. In particular, we study the Burgers', Korteweg-de Vries (KdV), Kuramoto-Sivashinsky, nonlinear Schr\"{o}dinger, and Navier-Stokes equations.

The process of transforming observed data into predictive mathematical models of the physical world has always been paramount in science and engineering. Although data is currently being collected at an ever-increasing pace, devising meaningful models out of such observations in an automated fashion still remains an open problem. In this work, we put forth a machine learning approach for identifying nonlinear dynamical systems from data. Specifically, we blend classical tools from numerical analysis, namely the multi-step time-stepping schemes, with powerful nonlinear function approximators, namely deep neural networks, to distill the mechanisms that govern the evolution of a given data-set. We test the effectiveness of our approach for several benchmark problems involving the identification of complex, nonlinear and chaotic dynamics, and we demonstrate how this allows us to accurately learn the dynamics, forecast future states, and identify basins of attraction. In particular, we study the Lorenz system, the fluid flow behind a cylinder, the Hopf bifurcation, and the Glycoltic oscillator model as an example of complicated nonlinear dynamics typical of biological systems.

We introduce physics informed neural networks -- neural networks that are trained to solve supervised learning tasks while respecting any given law of physics described by general nonlinear partial differential equations. In this two part treatise, we present our developments in the context of solving two main classes of problems: data-driven solution and data-driven discovery of partial differential equations. Depending on the nature and arrangement of the available data, we devise two distinct classes of algorithms, namely continuous time and discrete time models. The resulting neural networks form a new class of data-efficient universal function approximators that naturally encode any underlying physical laws as prior information. In this first part, we demonstrate how these networks can be used to infer solutions to partial differential equations, and obtain physics-informed surrogate models that are fully differentiable with respect to all input coordinates and free parameters.

We introduce physics informed neural networks -- neural networks that are trained to solve supervised learning tasks while respecting any given law of physics described by general nonlinear partial differential equations. In this second part of our two-part treatise, we focus on the problem of data-driven discovery of partial differential equations. Depending on whether the available data is scattered in space-time or arranged in fixed temporal snapshots, we introduce two main classes of algorithms, namely continuous time and discrete time models. The effectiveness of our approach is demonstrated using a wide range of benchmark problems in mathematical physics, including conservation laws, incompressible fluid flow, and the propagation of nonlinear shallow-water waves.

While there is currently a lot of enthusiasm about "big data", useful data is usually "small" and expensive to acquire. In this paper, we present a new paradigm of learning partial differential equations from {\em small} data. In particular, we introduce \emph{hidden physics models}, which are essentially data-efficient learning machines capable of leveraging the underlying laws of physics, expressed by time dependent and nonlinear partial differential equations, to extract patterns from high-dimensional data generated from experiments. The proposed methodology may be applied to the problem of learning, system identification, or data-driven discovery of partial differential equations. Our framework relies on Gaussian processes, a powerful tool for probabilistic inference over functions, that enables us to strike a balance between model complexity and data fitting. The effectiveness of the proposed approach is demonstrated through a variety of canonical problems, spanning a number of scientific domains, including the Navier-Stokes, Schr\"odinger, Kuramoto-Sivashinsky, and time dependent linear fractional equations. The methodology provides a promising new direction for harnessing the long-standing developments of classical methods in applied mathematics and mathematical physics to design learning machines with the ability to operate in complex domains without requiring large quantities of data.

This work introduces the concept of parametric Gaussian processes (PGPs), which is built upon the seemingly self-contradictory idea of making Gaussian processes parametric. Parametric Gaussian processes, by construction, are designed to operate in "big data" regimes where one is interested in quantifying the uncertainty associated with noisy data. The proposed methodology circumvents the well-established need for stochastic variational inference, a scalable algorithm for approximating posterior distributions. The effectiveness of the proposed approach is demonstrated using an illustrative example with simulated data and a benchmark dataset in the airline industry with approximately 6 million records.

We introduce the concept of numerical Gaussian processes, which we define as Gaussian processes with covariance functions resulting from temporal discretization of time-dependent partial differential equations. Numerical Gaussian processes, by construction, are designed to deal with cases where: (1) all we observe are noisy data on black-box initial conditions, and (2) we are interested in quantifying the uncertainty associated with such noisy data in our solutions to time-dependent partial differential equations. Our method circumvents the need for spatial discretization of the differential operators by proper placement of Gaussian process priors. This is an attempt to construct structured and data-efficient learning machines, which are explicitly informed by the underlying physics that possibly generated the observed data. The effectiveness of the proposed approach is demonstrated through several benchmark problems involving linear and nonlinear time-dependent operators. In all examples, we are able to recover accurate approximations of the latent solutions, and consistently propagate uncertainty, even in cases involving very long time integration.