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We propose a new approach to learning the subgrid-scale model when simulating partial differential equations (PDEs) solved by the method of lines and their representation in chaotic ordinary differential equations, based on neural ordinary differential equations (NODEs). Solving systems with fine temporal and spatial grid scales is an ongoing computational challenge, and closure models are generally difficult to tune. Machine learning approaches have increased the accuracy and efficiency of computational fluid dynamics solvers. In this approach neural networks are used to learn the coarse- to fine-grid map, which can be viewed as subgrid-scale parameterization. We propose a strategy that uses the NODE and partial knowledge to learn the source dynamics at a continuous level. Our method inherits the advantages of NODEs and can be used to parameterize subgrid scales, approximate coupling operators, and improve the efficiency of low-order solvers. Numerical results with the two-scale Lorenz 96 ODE, the convection-diffusion PDE, and the viscous Burgers' PDE are used to illustrate this approach.

We investigate the convergence and convergence rate of stochastic training algorithms for Neural Networks (NNs) that have been inspired by Dropout (Hinton et al., 2012). With the goal of avoiding overfitting during training of NNs, dropout algorithms consist in practice of multiplying the weight matrices of a NN componentwise by independently drawn random matrices with $\{0, 1 \}$-valued entries during each iteration of Stochastic Gradient Descent (SGD). This paper presents a probability theoretical proof that for fully-connected NNs with differentiable, polynomially bounded activation functions, if we project the weights onto a compact set when using a dropout algorithm, then the weights of the NN converge to a unique stationary point of a projected system of Ordinary Differential Equations (ODEs). After this general convergence guarantee, we go on to investigate the convergence rate of dropout. Firstly, we obtain generic sample complexity bounds for finding $\epsilon$-stationary points of smooth nonconvex functions using SGD with dropout that explicitly depend on the dropout probability. Secondly, we obtain an upper bound on the rate of convergence of Gradient Descent (GD) on the limiting ODEs of dropout algorithms for NNs with the shape of arborescences of arbitrary depth and with linear activation functions. The latter bound shows that for an algorithm such as Dropout or Dropconnect (Wan et al., 2013), the convergence rate can be impaired exponentially by the depth of the arborescence. In contrast, we experimentally observe no such dependence for wide NNs with just a few dropout layers. We also provide a heuristic argument for this observation. Our results suggest that there is a change of scale of the effect of the dropout probability in the convergence rate that depends on the relative size of the width of the NN compared to its depth.

We consider stochastic approximations of sampling algorithms, such as Stochastic Gradient Langevin Dynamics (SGLD) and the Random Batch Method (RBM) for Interacting Particle Dynamcs (IPD). We observe that the noise introduced by the stochastic approximation is nearly Gaussian due to the Central Limit Theorem (CLT) while the driving Brownian motion is exactly Gaussian. We harness this structure to absorb the stochastic approximation error inside the diffusion process, and obtain improved convergence guarantees for these algorithms. For SGLD, we prove the first stable convergence rate in KL divergence without requiring uniform warm start, assuming the target density satisfies a Log-Sobolev Inequality. Our result implies superior first-order oracle complexity compared to prior works, under significantly milder assumptions. We also prove the first guarantees for SGLD under even weaker conditions such as H\"{o}lder smoothness and Poincare Inequality, thus bridging the gap between the state-of-the-art guarantees for LMC and SGLD. Our analysis motivates a new algorithm called covariance correction, which corrects for the additional noise introduced by the stochastic approximation by rescaling the strength of the diffusion. Finally, we apply our techniques to analyze RBM, and significantly improve upon the guarantees in prior works (such as removing exponential dependence on horizon), under minimal assumptions.

Three asymptotic limits exist for the Euler equations at low Mach number - purely convective, purely acoustic, and mixed convective-acoustic. Standard collocated density-based numerical schemes for compressible flow are known to fail at low Mach number due to the incorrect asymptotic scaling of the artificial diffusion. Previous studies of this class of schemes have shown a variety of behaviours across the different limits and proposed guidelines for the design of low-Mach schemes. However, these studies have primarily focused on specific discretisations and/or only the convective limit. In this paper, we review the low-Mach behaviour using the modified equations - the continuous Euler equations augmented with artificial diffusion terms - which are representative of a wide range of schemes in this class. By considering both convective and acoustic effects, we show that three diffusion scalings naturally arise. Single- and multiple-scale asymptotic analysis of these scalings shows that many of the important low-Mach features of this class of schemes can be reproduced in a straightforward manner in the continuous setting. As an example, we show that many existing low-Mach Roe-type finite-volume schemes match one of these three scalings. Our analysis corroborates previous analysis of these schemes, and we are able to refine previous guidelines on the design of low-Mach schemes by including both convective and acoustic effects. Discrete analysis and numerical examples demonstrate the behaviour of minimal Roe-type schemes with each of the three scalings for convective, acoustic, and mixed flows.

The imsets of \citet{studeny2006probabilistic} are an algebraic method for representing conditional independence models. They have many attractive properties when applied to such models, and they are particularly nice for working with directed acyclic graph (DAG) models. In particular, the `standard' imset for a DAG is in one-to-one correspondence with the independences it induces, and hence is a label for its Markov equivalence class. We first present a proposed extension to standard imsets for maximal ancestral graph (MAG) models, using the parameterizing set representation of \citet{hu2020faster}. We show that for many such graphs our proposed imset is \emph{perfectly Markovian} with respect to the graph, including \emph{simple} MAGs, as well as for a large class of purely bidirected models. Thus providing a scoring criteria by measuring the discrepancy for a list of independences that define the model; this gives an alternative to the usual BIC score that is much easier to compute. We also show that, of independence models that do represent the MAG, the one we give is the simplest possible, in a manner we make precise. Unfortunately, for some graphs the representation does not represent all the independences in the model, and in certain cases does not represent any at all. For these general MAGs, we refine the reduced ordered local Markov property \citep{richardlocalmarkov} by a novel graphical tool called \emph{power DAGs}, and this results in an imset that induces the correct model and which, under a mild condition, can be constructed in polynomial time.

Hierarchical learning algorithms that gradually approximate a solution to a data-driven optimization problem are essential to decision-making systems, especially under limitations on time and computational resources. In this study, we introduce a general-purpose hierarchical learning architecture that is based on the progressive partitioning of a possibly multi-resolution data space. The optimal partition is gradually approximated by solving a sequence of optimization sub-problems that yield a sequence of partitions with increasing number of subsets. We show that the solution of each optimization problem can be estimated online using gradient-free stochastic approximation updates. As a consequence, a function approximation problem can be defined within each subset of the partition and solved using the theory of two-timescale stochastic approximation algorithms. This simulates an annealing process and defines a robust and interpretable heuristic method to gradually increase the complexity of the learning architecture in a task-agnostic manner, giving emphasis to regions of the data space that are considered more important according to a predefined criterion. Finally, by imposing a tree structure in the progression of the partitions, we provide a means to incorporate potential multi-resolution structure of the data space into this approach, significantly reducing its complexity, while introducing hierarchical variable-rate feature extraction properties similar to certain classes of deep learning architectures. Asymptotic convergence analysis and experimental results are provided for supervised and unsupervised learning problems.

Nonlinear feedback design via state-dependent Riccati equations is well established but unfeasible for large-scale systems because of computational costs. If the system can be embedded in the class of linear parameter-varying (LPV) systems with the parameter dependency being affine-linear, then the nonlinear feedback law has a series expansion with constant and precomputable coefficients. In this work, we propose a general method to approximating nonlinear systems such that the series expansion is possible and efficient even for high-dimensional systems. We lay out the stabilization of incompressible Navier-Stokes equations as application, discuss the numerical solution of the involved matrix-valued equations, and confirm the performance of the approach in a numerical example.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

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.

This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.