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This paper introduces a formulation of the variable density incompressible Navier-Stokes equations by modifying the nonlinear terms in a consistent way. For Galerkin discretizations, the formulation leads to full discrete conservation of mass, squared density, momentum, angular momentum and kinetic energy without the divergence-free constraint being strongly enforced. In addition to favorable conservation properties, the formulation is shown to make the density field invariant to global shifts. The effect of viscous regularizations on conservation properties is also investigated. Numerical tests validate the theory developed in this work. The new formulation shows superior performance compared to other formulations from the literature, both in terms of accuracy for smooth problems and in terms of robustness.

Atmospheric aerosols influence the Earth's climate, primarily by affecting cloud formation and scattering visible radiation. However, aerosol-related physical processes in climate simulations are highly uncertain. Constraining these processes could help improve model-based climate predictions. We propose a scalable statistical framework for constraining parameters in expensive climate models by comparing model outputs with observations. Using the C3.ai Suite, a cloud computing platform, we use a perturbed parameter ensemble of the UKESM1 climate model to efficiently train a surrogate model. A method for estimating a data-driven model discrepancy term is described. The strict bounds method is applied to quantify parametric uncertainty in a principled way. We demonstrate the scalability of this framework with two weeks' worth of simulated aerosol optical depth data over the South Atlantic and Central African region, written from the model every three hours and matched in time to twice-daily MODIS satellite observations. When constraining the model using real satellite observations, we establish constraints on combinations of two model parameters using much higher time-resolution outputs from the climate model than previous studies. This result suggests that, within the limits imposed by an imperfect climate model, potentially very powerful constraints may be achieved when our framework is scaled to the analysis of more observations and for longer time periods.

This study examines the identifiability of interaction kernels in mean-field equations of interacting particles or agents, an area of growing interest across various scientific and engineering fields. The main focus is identifying data-dependent function spaces where a quadratic loss functional possesses a unique minimizer. We consider two data-adaptive $L^2$ spaces: one weighted by a data-adaptive measure and the other using the Lebesgue measure. In each $L^2$ space, we show that the function space of identifiability is the closure of the RKHS associated with the integral operator of inversion. Alongside prior research, our study completes a full characterization of identifiability in interacting particle systems with either finite or infinite particles, highlighting critical differences between these two settings. Moreover, the identifiability analysis has important implications for computational practice. It shows that the inverse problem is ill-posed, necessitating regularization. Our numerical demonstrations show that the weighted $L^2$ space is preferable over the unweighted $L^2$ space, as it yields more accurate regularized estimators.

Markov Switching models have had increasing success in time series analysis due to their ability to capture the existence of unobserved discrete states in the dynamics of the variables under study. This result is generally obtained thanks to the inference on states derived from the so--called Hamilton filter. One of the open problems in this framework is the identification of the number of states, generally fixed a priori; it is in fact impossible to apply classical tests due to the problem of the nuisance parameters present only under the alternative hypothesis. In this work we show, by Monte Carlo simulations, that fuzzy clustering is able to reproduce the parametric state inference derived from the Hamilton filter and that the typical indices used in clustering to determine the number of groups can be used to identify the number of states in this framework. The procedure is very simple to apply, considering that it is performed (in a nonparametric way) independently of the data generation process and that the indicators we use are present in most statistical packages. A final application on real data completes the analysis.

Series of univariate distributions indexed by equally spaced time points are ubiquitous in applications and their analysis constitutes one of the challenges of the emerging field of distributional data analysis. To quantify such distributional time series, we propose a class of intrinsic autoregressive models that operate in the space of optimal transport maps. The autoregressive transport models that we introduce here are based on regressing optimal transport maps on each other, where predictors can be transport maps from an overall barycenter to a current distribution or transport maps between past consecutive distributions of the distributional time series. Autoregressive transport models and their associated distributional regression models specify the link between predictor and response transport maps by moving along geodesics in Wasserstein space. These models emerge as natural extensions of the classical autoregressive models in Euclidean space. Unique stationary solutions of autoregressive transport models are shown to exist under a geometric moment contraction condition of Wu and Shao (2004), using properties of iterated random functions. We also discuss an extension to a varying coefficient model for first order autoregressive transport models. In addition to simulations, the proposed models are illustrated with distributional time series of house prices across U.S. counties and annual summer temperature distributions.

When estimating quantities and fields that are difficult to measure directly, such as the fluidity of ice, from point data sources, such as satellite altimetry, it is important to solve a numerical inverse problem that is formulated with Bayesian consistency. Otherwise, the resultant probability density function for the difficult to measure quantity or field will not be appropriately clustered around the truth. In particular, the inverse problem should be formulated by evaluating the numerical solution at the true point locations for direct comparison with the point data source. If the data are first fitted to a gridded or meshed field on the computational grid or mesh, and the inverse problem formulated by comparing the numerical solution to the fitted field, the benefits of additional point data values below the grid density will be lost. We demonstrate, with examples in the fields of groundwater hydrology and glaciology, that a consistent formulation can increase the accuracy of results and aid discourse between modellers and observationalists. To do this, we bring point data into the finite element method ecosystem as discontinuous fields on meshes of disconnected vertices. Point evaluation can then be formulated as a finite element interpolation operation (dual-evaluation). This new abstraction is well-suited to automation, including automatic differentiation. We demonstrate this through implementation in Firedrake, which generates highly optimised code for solving Partial Differential Equations (PDEs) with the finite element method. Our solution integrates with dolfin-adjoint/pyadjoint, allowing PDE-constrained optimisation problems, such as data assimilation, to be solved through forward and adjoint mode automatic differentiation.

A centerpiece of the ever-popular reinforcement learning from human feedback (RLHF) approach to fine-tuning autoregressive language models is the explicit training of a reward model to emulate human feedback, distinct from the language model itself. This reward model is then coupled with policy-gradient methods to dramatically improve the alignment between language model outputs and desired responses. In this work, we adopt a novel perspective wherein a pre-trained language model is itself simultaneously a policy, reward function, and transition function. An immediate consequence of this is that reward learning and language model fine-tuning can be performed jointly and directly, without requiring any further downstream policy optimization. While this perspective does indeed break the traditional agent-environment interface, we nevertheless maintain that there can be enormous statistical benefits afforded by bringing to bear traditional algorithmic concepts from reinforcement learning. Our experiments demonstrate one concrete instance of this through efficient exploration based on the representation and resolution of epistemic uncertainty. In order to illustrate these ideas in a transparent manner, we restrict attention to a simple didactic data generating process and leave for future work extension to systems of practical scale.

In this work, we propose a novel framework for estimating the dimension of the data manifold using a trained diffusion model. A diffusion model approximates the score function i.e. the gradient of the log density of a noise-corrupted version of the target distribution for varying levels of corruption. We prove that, if the data concentrates around a manifold embedded in the high-dimensional ambient space, then as the level of corruption decreases, the score function points towards the manifold, as this direction becomes the direction of maximal likelihood increase. Therefore, for small levels of corruption, the diffusion model provides us with access to an approximation of the normal bundle of the data manifold. This allows us to estimate the dimension of the tangent space, thus, the intrinsic dimension of the data manifold. To the best of our knowledge, our method is the first estimator of the data manifold dimension based on diffusion models and it outperforms well established statistical estimators in controlled experiments on both Euclidean and image data.

We introduce an approach which allows inferring causal relationships between variables for which the time evolution is available. Our method builds on the ideas of Granger Causality and Transfer Entropy, but overcomes most of their limitations. Specifically, our approach tests whether the predictability of a putative driven system Y can be improved by incorporating information from a potential driver system X, without making assumptions on the underlying dynamics and without the need to compute probability densities of the dynamic variables. Causality is assessed by a rigorous variational scheme based on the Information Imbalance of distance ranks, a recently developed statistical test capable of inferring the relative information content of different distance measures. This framework makes causality detection possible even for high-dimensional systems where only few of the variables are known or measured. Benchmark tests on coupled dynamical systems demonstrate that our approach outperforms other model-free causality detection methods, successfully handling both unidirectional and bidirectional couplings, and it is capable of detecting the arrow of time when present. We also show that the method can be used to robustly detect causality in electroencephalography data in humans.

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.