Imperial College London

 Many optimal control, estimation and design problems can be formulated as so-called dynamic optimization problems, which are optimization problems with differential equations and other constraints. State-of-the-art methods based on collocation, which enforce the differential equations at only a finite set of points, can struggle to solve certain dynamic optimization problems, such as those with high-index differential algebraic equations, consistent overdetermined constraints or problems with singular arcs. We show how numerical methods based on integrating the differential equation residuals can be used to solve dynamic optimization problems where collocation methods fail. Furthermore, we show that integrated residual methods can be computationally more efficient than direct collocation.

This seminar takes place at RAL (Rutherford Appleton Lab). 

Persistent homology is infeasible to compute when a dataset is very large. Inspired by the bootstrapping method, Chazal et al. (2014) proposed a multiple subsampling approach to approximate the persistence landscape of a massive dataset. In this talk, I will present an extension of the multiple subsampling method to a broader class of vectorizations of persistence diagrams and to persistence diagrams directly. First, I will review the statistical foundation of the multiple subsampling approach as applied to persistence landscapes in Chazal et al. (2014). Next, I will talk about how this analysis extends to a class of vectorized persistence diagrams called Hölder continuous vectorizations. Finally, I will address the challenges in applying this method to raw persistence diagrams for two measures of centrality: the mean persistence measure and the Fréchet mean of persistence diagrams. I will demonstrate these methods through simulation results and applications in estimating data shapes. 

Let $K$ be an unramified extension of $\mathbb{Q}_p$ for a prime $p > 3$. The reduced part of the Emerton-Gee stack for $\mathrm{GL}_{2}$ can be viewed as parameterizing two-dimensional mod $p$ Galois representations of the absolute Galois group of $K$. In this talk, we will consider the extremely non-generic irreducible components of this reduced part and see precisely which ones are smooth or normal, and which have Gorenstein normalizations. We will see that the normalizations of the irreducible components admit smooth-local covers by resolution-rational schemes. We will also determine the singular loci on the components, and use these results to update expectations about the conjectural categorical $p$-adic Langlands correspondence. This is based on recent joint work with Ben Savoie.

In this talk, I will describe recent work in the application of machine learning to explore questions in algebraic geometry, specifically in the context of the study of Q-Fano varieties. These are Q-factorial terminal Fano varieties, and they are the key players in the Minimal Model Program. In this work, we ask and answer if machine learning can determine if a toric Fano variety has terminal singularities. We build a high-accuracy neural network that detects this, which has two consequences. Firstly, it inspires the formulation and proof of a new global, combinatorial criterion to determine if a toric variety of Picard rank two has terminal singularities. Secondly, the machine learning model is used directly to give the first sketch of the landscape of Q-Fano varieties in dimension eight. This is joint work with Tom Coates and Al Kasprzyk.

We introduce a novel approach to global optimization  via continuous-time dynamic programming and Hamilton-Jacobi-Bellman (HJB) PDEs. For non-convex, non-smooth objective functions,  we reformulate global optimization as an infinite horizon, optimal asymptotic stabilization control problem. The solution to the associated HJB PDE provides a value function which corresponds to a (quasi)convexification of the original objective.  Using the gradient of the value function, we obtain a  feedback law driving any initial guess towards the global optimizer without requiring derivatives of the original objective. We then demonstrate that this HJB control law can be integrated into other global optimization frameworks to improve its performance and robustness. 

We present a spectral method that converges exponentially for a variety of fractional integral equations on a closed interval. The method uses an orthogonal fractional polynomial basis that is obtained from an appropriate change of variable in classical Jacobi polynomials. For a problem arising from time-fractional heat and wave equations, we elaborate the complexities of three spectral methods, among which our method is the most performant due to its superior stability. We present algorithms for building the fractional integral operators, which are applied to the orthogonal fractional polynomial basis as matrices. 

We review progress made by our group on soft matter at interfaces and related physics from the nano- to macroscopic lengthscales. Specifically, to capture nanoscale properties very close to interfaces and to establish a link to the macroscale behaviour, we employ elements from the statistical mechanics of classical fluids, namely density-functional theory (DFT). We formulate a new and general dynamic DFT that carefully and systematically accounts for the fundamental elements of any classical fluid and soft matter system, a crucial step towards the accurate and predictive modelling of physically relevant systems. In a certain limit, our DDFT reduces to a non-local Navier-Stokes-like equation that we refer to as hydrodynamic DDFT: an inherently multiscale model, bridging the micro- to the macroscale, and retaining the relevant fundamental microscopic information (fluid temperature, fluid-fluid and wall-fluid interactions) at the macroscopic level.

Work analysing the moving contact line in both equilibrium and dynamics will be presented. This has been a longstanding problem for fluid dynamics with a major challenge being its multiscale nature, whereby nanoscale phenomena manifest themselves at the macroscale. A key property captured by DFT at equilibrium, is the fluid layering on the wall-fluid interface, amplified as the contact angle decreases. DFT also allows us to unravel novel phase transitions of fluids in confinement. In dynamics, hydrodynamic DDFT allows us to benchmark existing phenomenological models and reproduce some of their key ingredients. But its multiscale nature also allows us to unravel the underlying physics of moving contact lines, not possible with any of the previous approaches, and indeed show that the physics is much more intricate than the previous models suggest.

We will close with recent efforts on machine learning and DFT. In particular, the development of a novel data-driven physics-informed framework for the solution of the inverse problem of statistical mechanics: given experimental data on the collective motion of a classical many-body system, obtain the state functions, such as free-energy functionals.