Many engineering and scientific fields have recently become interested in modeling terms in partial differential equations (PDEs) with neural networks, which requires solving the inverse problem of learning neural network terms from observed data in order to approximate missing or unresolved physics in the PDE model. The resulting neural-network PDE model, being a function of the neural network parameters, can be calibrated to the available ground truth data by optimizing over the PDE using gradient descent, where the gradient is evaluated in a computationally efficient manner by solving an adjoint PDE. These neural PDE models have emerged as an important research area in scientific machine learning. In this paper, we study the convergence of the adjoint gradient descent optimization method for training neural PDE models in the limit where both the number of hidden units and the training time tend to infinity. Specifically, for a general class of nonlinear parabolic PDEs with a neural network embedded in the source term, we prove convergence of the trained neural-network PDE solution to the target data (i.e., a global minimizer). The global convergence proof poses a unique mathematical challenge that is not encountered in finite-dimensional neural network convergence analyses due to (i) the neural network training dynamics involving a non-local neural network kernel operator in the infinite-width hidden layer limit where the kernel lacks a spectral gap for its eigenvalues and (ii) the nonlinearity of the limit PDE system, which leads to a non-convex optimization problem in the neural network function even in the infinite-width hidden layer limit (unlike in typical neural network training cases where the optimization problem becomes convex in the large neuron limit). The theoretical results are illustrated and empirically validated by numerical studies.

We study the approximation complexity of high-dimensional second-order elliptic PDEs with homogeneous boundary conditions on the unit hypercube, within the framework of Barron spaces. Under the assumption that the coefficients belong to suitably defined Barron spaces, we prove that the solution can be efficiently approximated by two-layer neural networks, circumventing the curse of dimensionality. Our results demonstrate the expressive power of shallow networks in capturing high-dimensional PDE solutions under appropriate structural assumptions.

This paper proposes a fully data-driven approach for optimal control of nonlinear control-affine systems represented by a stochastic diffusion. The focus is on the scenario where both the nonlinear dynamics and stage cost functions are unknown, while only control penalty function and constraints are provided. Leveraging the theory of reproducing kernel Hilbert spaces, we introduce novel kernel mean embeddings (KMEs) to identify the Markov transition operators associated with controlled diffusion processes. The KME learning approach seamlessly integrates with modern convex operator-theoretic Hamilton-Jacobi-Bellman recursions. Thus, unlike traditional dynamic programming methods, our approach exploits the ``kernel trick'' to break the curse of dimensionality. We demonstrate the effectiveness of our method through numerical examples, highlighting its ability to solve a large class of nonlinear optimal control problems.

In Score based Generative Modeling (SGMs), the state-of-the-art in generative modeling, stochastic reverse processes are known to perform better than their deterministic counterparts. This paper delves into the heart of this phenomenon, comparing neural ordinary differential equations (ODEs) and neural stochastic differential equations (SDEs) as reverse processes. We use a control theoretic perspective by posing the approximation of the reverse process as a trajectory tracking problem. We analyze the ability of neural SDEs to approximate trajectories of the Fokker-Planck equation, revealing the advantages of stochasticity. First, neural SDEs exhibit a powerful regularizing effect, enabling $L^2$ norm trajectory approximation surpassing the Wasserstein metric approximation achieved by neural ODEs under similar conditions, even when the reference vector field or score function is not Lipschitz. Applying this result, we establish the class of distributions that can be sampled using score matching in SGMs, relaxing the Lipschitz requirement on the gradient of the data distribution in existing literature. Second, we show that this approximation property is preserved when network width is limited to the input dimension of the network. In this limited width case, the weights act as control inputs, framing our analysis as a controllability problem for neural SDEs in probability density space. This sheds light on how noise helps to steer the system towards the desired solution and illuminates the empirical success of stochasticity in generative modeling.

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size. This paper develops SBDMs in the infinite-dimensional setting, that is, we model the training data as functions supported on a rectangular domain. Besides the quest for generating images at ever higher resolution, our primary motivation is to create a well-posed infinite-dimensional learning problem so that we can discretize it consistently on multiple resolution levels. We thereby intend to obtain diffusion models that generalize across different resolution levels and improve the efficiency of the training process. We demonstrate how to overcome two shortcomings of current SBDM approaches in the infinite-dimensional setting. First, we modify the forward process to ensure that the latent distribution is well-defined in the infinite-dimensional setting using the notion of trace class operators. We derive the reverse processes for finite approximations. Second, we illustrate that approximating the score function with an operator network is beneficial for multilevel training. After deriving the convergence of the discretization and the approximation of multilevel training, we implement an infinite-dimensional SBDM approach and show the first promising results on MNIST and Fashion-MNIST, underlining our developed theory.

The classical (overdamped) Langevin dynamics provide a natural algorithm for sampling from its invariant measure, which uniquely minimizes an energy functional over the space of probability measures, and which concentrates around the minimizer(s) of the associated potential when the noise parameter is small. We introduce analogous diffusion dynamics that sample from an entropy-regularized optimal transport, which uniquely minimizes the same energy functional but constrained to the set $\Pi(\mu,\nu)$ of couplings of two given marginal probability measures $\mu$ and $\nu$ on $\mathbb{R}^d$, and which concentrates around the optimal transport coupling(s) for small regularization parameter. More specifically, our process satisfies two key properties: First, the law of the solution at each time stays in $\Pi(\mu,\nu)$ if it is initialized there. Second, the long-time limit is the unique solution of an entropic optimal transport problem. In addition, we show by means of a new log-Sobolev-type inequality that the convergence holds exponentially fast, for sufficiently large regularization parameter and for a class of marginals which strictly includes all strongly log-concave measures. By studying the induced Wasserstein geometry of the submanifold $\Pi(\mu,\nu)$, we argue that the SDE can be viewed as a Wasserstein gradient flow on this space of couplings, at least when $d=1$, and we identify a conjectural gradient flow for $d \ge 2$. The main technical difficulties stems from the appearance of conditional expectation terms which serve to constrain the dynamics to $\Pi(\mu,\nu)$.

This paper approaches the unsupervised learning problem by gradient descent in the space of probability density functions. A main result shows that along the gradient flow induced by a distribution-dependent ordinary differential equation (ODE), the unknown data distribution emerges as the long-time limit. That is, one can uncover the data distribution by simulating the distribution-dependent ODE. Intriguingly, the simulation of the ODE is shown equivalent to the training of generative adversarial networks (GANs). This equivalence provides a new "cooperative" view of GANs and, more importantly, sheds new light on the divergence of GANs. In particular, it reveals that the GAN algorithm implicitly minimizes the mean squared error (MSE) between two sets of samples, and this MSE fitting alone can cause GANs to diverge. To construct a solution to the distribution-dependent ODE, we first show that the associated nonlinear Fokker-Planck equation has a unique weak solution, by the Crandall-Liggett theorem for differential equations in Banach spaces. Based on this solution to the Fokker-Planck equation, we construct a unique solution to the ODE, using Trevisan's superposition principle. The convergence of the induced gradient flow to the data distribution is obtained by analyzing the Fokker-Planck equation.

We study learning weak solutions to nonlinear hyperbolic partial differential equations (H-PDE), which have been difficult to learn due to discontinuities in their solutions. We use a physics-informed variant of the Fourier Neural Operator ($\pi$-FNO) to learn the weak solutions. We empirically quantify the generalization/out-of-sample error of the $\pi$-FNO solver as a function of input complexity, i.e., the distributions of initial and boundary conditions. Our testing results show that $\pi$-FNO generalizes well to unseen initial and boundary conditions. We find that the generalization error grows linearly with input complexity. Further, adding a physics-informed regularizer improved the prediction of discontinuities in the solution. We use the Lighthill-Witham-Richards (LWR) traffic flow model as a guiding example to illustrate the results.

This paper analyzes the convergence rate of a deep Galerkin method for the weak solution (DGMW) of second-order elliptic partial differential equations on $\mathbb{R}^d$ with Dirichlet, Neumann, and Robin boundary conditions, respectively. In DGMW, a deep neural network is applied to parametrize the PDE solution, and a second neural network is adopted to parametrize the test function in the traditional Galerkin formulation. By properly choosing the depth and width of these two networks in terms of the number of training samples $n$, it is shown that the convergence rate of DGMW is $\mathcal{O}(n^{-1/d})$, which is the first convergence result for weak solutions. The main idea of the proof is to divide the error of the DGMW into an approximation error and a statistical error. We derive an upper bound on the approximation error in the $H^{1}$ norm and bound the statistical error via Rademacher complexity.

This paper proposes Friedrichs learning as a novel deep learning methodology that can learn the weak solutions of PDEs via a minimax formulation, which transforms the PDE problem into a minimax optimization problem to identify weak solutions. The name "Friedrichs learning" is to highlight the close relation between our learning strategy and Friedrichs theory on symmetric systems of PDEs. The weak solution and the test function in the weak formulation are parameterized as deep neural networks in a mesh-free manner, which are alternately updated to approach the optimal solution networks approximating the weak solution and the optimal test function, respectively. Extensive numerical results indicate that our mesh-free Friedrichs learning method can provide reasonably good solutions for a wide range of PDEs defined on regular and irregular domains, where conventional numerical methods such as finite difference methods and finite element methods may be tedious or difficult to be applied, especially for those with discontinuous solutions in high-dimensional problems.