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We consider a unique continuation problem where the Dirichlet trace of the solution is known to have finite dimension. We prove Lipschitz stability of the unique continuation problem and design a finite element method that exploits the finite dimensionality to enhance stability. Optimal a priori and a posteriori error estimates are shown for the method. The extension to problems where the trace is not in a finite dimensional space, but can be approximated to high accuracy using finite dimensional functions is discussed. Finally, the theory is illustrated in some numerical examples.

The frequentist variability of Bayesian posterior expectations can provide meaningful measures of uncertainty even when models are misspecified. Classical methods to asymptotically approximate the frequentist covariance of Bayesian estimators such as the Laplace approximation and the nonparametric bootstrap can be practically inconvenient, since the Laplace approximation may require an intractable integral to compute the marginal log posterior, and the bootstrap requires computing the posterior for many different bootstrap datasets. We develop and explore the infinitesimal jackknife (IJ), an alternative method for computing asymptotic frequentist covariance of smooth functionals of exchangeable data, which is based on the ``influence function'' of robust statistics. We show that the influence function for posterior expectations has the form of a simple posterior covariance, and that the IJ covariance estimate is, in turn, easily computed from a single set of posterior samples. Under conditions similar to those required for a Bayesian central limit theorem to apply, we prove that the corresponding IJ covariance estimate is asymptotically equivalent to the Laplace approximation and the bootstrap. In the presence of nuisance parameters that may not obey a central limit theorem, we argue heuristically that the IJ covariance can remain a good approximation to the limiting frequentist variance. We demonstrate the accuracy and computational benefits of the IJ covariance estimates with simulated and real-world experiments.

In this work, two Crank-Nicolson schemes without corrections are developed for sub-diffusion equations. First, we propose a Crank-Nicolson scheme without correction for problems with regularity assumptions only on the source term. Second, since the existing Crank-Nicolson schemes have a severe reduction of convergence order for solving sub-diffusion equations with singular source terms in time, we then extend our scheme and propose a new Crank-Nicolson scheme for problems with singular source terms in time. Second-order error estimates for both the two Crank-Nicolson schemes are rigorously established by a Laplace transform technique, which are numerically verified by some numerical examples.

Numerically solving high-dimensional partial differential equations (PDEs) is a major challenge. Conventional methods, such as finite difference methods, are unable to solve high-dimensional PDEs due to the curse-of-dimensionality. A variety of deep learning methods have been recently developed to try and solve high-dimensional PDEs by approximating the solution using a neural network. In this paper, we prove global convergence for one of the commonly-used deep learning algorithms for solving PDEs, the Deep Galerkin Method (DGM). DGM trains a neural network approximator to solve the PDE using stochastic gradient descent. We prove that, as the number of hidden units in the single-layer network goes to infinity (i.e., in the ``wide network limit"), the trained neural network converges to the solution of an infinite-dimensional linear ordinary differential equation (ODE). The PDE residual of the limiting approximator converges to zero as the training time $\rightarrow \infty$. Under mild assumptions, this convergence also implies that the neural network approximator converges to the solution of the PDE. A closely related class of deep learning methods for PDEs is Physics Informed Neural Networks (PINNs). Using the same mathematical techniques, we can prove a similar global convergence result for the PINN neural network approximators. Both proofs require analyzing a kernel function in the limit ODE governing the evolution of the limit neural network approximator. A key technical challenge is that the kernel function, which is a composition of the PDE operator and the neural tangent kernel (NTK) operator, lacks a spectral gap, therefore requiring a careful analysis of its properties.

Reinforcement learning (RL) problems over general state and action spaces are notoriously challenging. In contrast to the tableau setting, one can not enumerate all the states and then iteratively update the policies for each state. This prevents the application of many well-studied RL methods especially those with provable convergence guarantees. In this paper, we first present a substantial generalization of the recently developed policy mirror descent method to deal with general state and action spaces. We introduce new approaches to incorporate function approximation into this method, so that we do not need to use explicit policy parameterization at all. Moreover, we present a novel policy dual averaging method for which possibly simpler function approximation techniques can be applied. We establish linear convergence rate to global optimality or sublinear convergence to stationarity for these methods applied to solve different classes of RL problems under exact policy evaluation. We then define proper notions of the approximation errors for policy evaluation and investigate their impact on the convergence of these methods applied to general-state RL problems with either finite-action or continuous-action spaces. To the best of our knowledge, the development of these algorithmic frameworks as well as their convergence analysis appear to be new in the literature.

We propose policy gradient algorithms for solving a risk-sensitive reinforcement learning problem in on-policy as well as off-policy settings. We consider episodic Markov decision processes, and model the risk using the broad class of smooth risk measures of the cumulative discounted reward. We propose two template policy gradient algorithms that optimize a smooth risk measure in on-policy and off-policy RL settings, respectively. We derive non-asymptotic bounds that quantify the rate of convergence to our proposed algorithms to a stationary point of the smooth risk measure. As special cases, we establish that our algorithms apply to the optimization of mean-variance and distortion risk measures, respectively.

We consider problems of minimizing functionals $\mathcal{F}$ of probability measures on the Euclidean space. To propose an accelerated gradient descent algorithm for such problems, we consider gradient flow of transport maps that give push-forward measures of an initial measure. Then we propose a deterministic accelerated algorithm by extending Nesterov's acceleration technique with momentum. This algorithm do not based on the Wasserstein geometry. Furthermore, to estimate the convergence rate of the accelerated algorithm, we introduce new convexity and smoothness for $\mathcal{F}$ based on transport maps. As a result, we can show that the accelerated algorithm converges faster than a normal gradient descent algorithm. Numerical experiments support this theoretical result.

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from fully being explored in the field of physics-informed machine learning. We believe that this study will encourage researchers in the machine learning community to actively participate in the interdisciplinary research of physics-informed machine learning.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.