Computational Mathematics and Applications Seminar

 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). 

In this talk I will review some recent results concerning the qualitative behaviour of symplectic integrators applied to Hamiltonian PDEs, such as the nonlinear wave equation or Schrödinger equations. 

Additionally, I will discuss the problem of numerical resonances, the existence of modified energy and the existence and stability of numerical solitons over long times. 

These are works with B. Grébert, D. Bambusi, G. Maierhofer and K. Schratz. 

The Landau equation stands as one of the fundamental equations in kinetic theory and plays a key role in plasma physics. However, computing it presents significant challenges due to the complexity of the Landau operator,  the dimensionality, and the need to preserve the physical properties of the solution. In this presentation, I will introduce deep learning assisted particle methods aimed at addressing some of these challenges. These methods combine the benefits of traditional structure-preserving techniques with the approximation power of neural networks, aiming to handle high dimensional problems with minimal training. 

There is a mystery at the heart of operator learning: how can one recover a non-self-adjoint operator from data without probing the adjoint? Current practical approaches suggest that one can accurately recover an operator while only using data generated by the forward action of the operator without access to the adjoint. However, naively, it seems essential to sample the action of the adjoint for learning time-dependent PDEs. 

In this talk, we will first explore connections with low-rank matrix recovery problems in numerical linear algebra. Then, we will show that one can approximate a family of non-self-adjoint infinite-dimensional compact operators via projection onto a Fourier basis without querying the adjoint.

Can one recover a matrix from only matrix-vector products? If so, how many are needed? We will consider the matrix recovery problem for the class of hierarchical rank-structured matrices. This problem arises in scientific machine learning, where one wishes to recover the solution operator of a PDE from only input-output pairs of forcing terms and solutions. Peeling algorithms are the canonical method for recovering a hierarchical matrix from matrix-vector products, however their recursive nature poses a potential stability issue which may deteriorate the overall quality of the approximation. Our work resolves the open question of the stability of peeling. We introduce a robust version of peeling and prove that it achieves low error with respect to the best possible hierarchical approximation to any matrix, allowing us to analyze the performance of the algorithm on general matrices, as opposed to exactly hierarchical ones. This analysis relies on theory for low-rank approximation, as well as the surprising result that the Generalized Nystrom method is more accurate than the randomized SVD algorithm in this setting. 

Deflation is a technique to remove a solution to a problem so that other solutions to this problem can subsequently be found. The most prominent instance is deflation we see in eigenvalue solvers, but recent interest has been in deflation of rootfinding problems from nonlinear PDEs with many isolated solutions (spearheaded by Farrell and collaborators). 

In this talk I’ll show you recent results on deflation techniques for optimisation algorithms with many local minima, focusing on the Gauss—Newton algorithm for nonlinear least squares problems.  I will demonstrate advantages of these techniques instead of the more obvious approach of applying deflated Newton’s method to the first order optimality conditions and present some proofs that these algorithms will avoid the deflated solutions. Along the way we will see an interesting generalisation of Woodbury’s formula to least squares problems, something that should be more well known in Numerical Linear Algebra (joint work with Güttel, Nakatsukasa and Bloor Riley).

Main preprint: https://arxiv.org/abs/2409.14438. 

WoodburyLS preprint: https://arxiv.org/abs/2406.15120

In this informal talk I will review some theoretical and practical aspects related to the finite element approximation of eigenvalue problems arising from PDEs.
The review will cover elliptic eigenvalue problems and eigenvalue problems in mixed form, with particular emphasis on the Maxwell eigenvalue problem.
Other topics can be discussed depending on the interests of the audience, including adaptive schemes, approximation of parametric problems, reduced order models.
 

We present an exponential-integrator-based multi-index Monte Carlo (MIMC) method for the weak approximation of mild solutions to semilinear stochastic partial differential equations (SPDEs). Theoretical results on multi-index coupled solutions of the SPDE are provided, demonstrating their stability and the satisfaction of multiplicative error estimates. Leveraging this theory, we develop a tractable MIMC algorithm. Numerical experiments illustrate that MIMC outperforms alternative approaches, such as multilevel Monte Carlo, particularly in low-regularity settings.

In this seminar I will begin by giving an overview of some problems in stochastic simulation and uncertainty quantification. I will then outline the Multilevel Monte Carlo for situations in which accurate simulations are very costly, but it is possible to perform much cheaper, less accurate simulations.  Inspired by the multigrid method, it is possible to use a combination of these to achieve the desired overall accuracy at a much lower cost.