Spectral element methods for fractional differential equations, with applications in applied analysis and medical imaging

Lead Research Organisation: Imperial College London
Department Name: Mathematics

Abstract

Fractional differential equations are of increasing importance in a wide-range of applications, including medical imagining, collective behaviours, finance, image analysis, and elsewhere. These equations are challenging to solve numerically as they involve nonlocal interactions, which if tackled naively lead to dense discretisations that are too computationally difficult to solve, thereby limiting the scope of feasible numerical simulations. This project will develop a state-of-the-art spectral element method for simulating these models based on reducing the equations to highly structured linear systems, using a key observation that singular behaviour can be captured exactly in the development of numerical schemes. This will lead to faster and more accurate simulations facilitating progress in a wide range of applications.

We will apply the results to challenging problems arising in applied analysis. Fractional differential equations arise in collective behaviour models such as swarming of animal species, cell movement by chemotaxis, granular media interaction and self-assembly of particles, and give important information about the equilibrium behaviour of such systems. These equations are difficult to solve numerically due to possible blow-up behaviour, where the model develops a singularity in finite time. The proposed scheme will allow for refinement near singularities to concentrate computational power in these difficult regions while keeping control on computational cost, allowing for high performance simulations.

We will also tackle real world applications in medical imaging, including ultrasound imagining of the brain. Fractional differential equations have proven powerful tools in designing modern models that capture nonlocal behaviour caused by memory effects in the tissue. The developed spectral element method will facilitate more accurate simulations involving non-trivial geometries, for example ellipsoidal models of the skull, while avoiding inaccuracies in current schemes caused by sharp transitions between the skull and tissue.

Planned Impact

Societal impact: Fractional differential equation are of increasing importance in a wide-range of areas with direct relevance to society. The project will directly produce simulations for medical imagining of the brain, which will lead to higher accuracy simulations and more efficient image reconstruction. We will also investigate simulations of collective behaviour models which will lead to deeper understanding of behaviour of systems with complicated interactions such as swarming of animals or cell movement. Going beyond the applications pursued in this proposal, the results may also lead to more efficient methods for image processing, where fractional differential equations have proven effective for image denoising in a way that sharp edges are preserved.

Economic impact: The proposed tools are relevant to a wide range of industries, including healthcare, image processing, and elsewhere. Fractional differential equations arise naturally in stochastic models with heavy tails which may facilitate more sophisticated financial models that better capture so-called black swan events. The results of the project will be released in open-source software to facilitate direct impact in industry, and consulting with industry will be pursued to increase uptake by potential users.

Academic impact: The project tackles state-of-the-art models in fractional differential equations which are attracting significant interest in pure, applied, and computational mathematics. It will lead to deeper understanding of difficult models, and provide a new computational tool to effectively model such equations. It will help fuel collaboration between numerical analysts, applied analysts, and practitioners in medical imagining, and help to establish and deepen links between researchers at Imperial and UCL.

Human resources: The appointed postdoctoral researchers will be trained in a wide range of mathematical areas such as numerical analysis, spectral methods, and fractional calculus, that will provide them with unique skills that are useful inside academia and in industry. They will further have the opportunity to develop an independent research program building on this proposal, increasing their employability. They will have access to a wide range of seminars in both pure and applied mathematics at Imperial, such as the Imperial-UCL Numerics Seminar, the Applied PDE Seminar, the Pure Analysis Seminar, and the Department Colloquium, that will expose them to a range of research areas.

Publications

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Carrillo J (2023) An invariance principle for gradient flows in the space of probability measures in Journal of Differential Equations

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Carrillo J (2023) Convergence of a particle method for a regularized spatially homogeneous Landau equation in Mathematical Models and Methods in Applied Sciences

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Carrillo J (2022) From radial symmetry to fractal behavior of aggregation equilibria for repulsive-attractive potentials in Calculus of Variations and Partial Differential Equations

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Carrillo J (2021) Equilibria of an anisotropic nonlocal interaction equation: Analysis and numerics in Discrete & Continuous Dynamical Systems

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Carrillo J (2022) Controlling Swarms toward Flocks and Mills in SIAM Journal on Control and Optimization

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Carrillo J (2023) Global minimizers of a large class of anisotropic attractive-repulsive interaction energies in 2D in Communications on Pure and Applied Mathematics

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Carrillo J (2022) Consensus-based sampling in Studies in Applied Mathematics

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Carrillo J (2023) Asymptotic Simplification of Aggregation-Diffusion Equations Towards the Heat kernel in Archive for Rational Mechanics and Analysis

 
Title ApproxFun.jl 
Description ApproxFun is a package for approximating functions. It is in a similar vein to the Matlab package Chebfun and the Mathematica package RHPackage. 
Type Of Technology Software 
Year Produced 2021 
Open Source License? Yes  
Impact ApproxFun.jl is a highly used package with almost 400 Github stars, and 37 contributors. 
URL https://zenodo.org/record/6327592
 
Title ClassicalOrthogonalPolynomials.jl v0.5.1 
Description A Julia package for classical orthogonal polynomials and expansions 
Type Of Technology Software 
Year Produced 2021 
Open Source License? Yes  
Impact Forms the basis for the grant by giving convenient framework for manipulating orthogonal polynomials. 
URL https://github.com/JuliaApproximation/ClassicalOrthogonalPolynomials.jl
 
Title JuliaApproximation/ContinuumArrays.jl: v0.10.0 
Description ContinuumArrays v0.10.0 Diff since v0.9.6 Merged pull requests: Support transforms with quasi matrices (#122) (@dlfivefifty) 
Type Of Technology Software 
Year Produced 2021 
Impact Lays the basis for working with continuum arrays as used in ClassicalOrthogonalPolynomials.jl, needed for the grant. 
URL https://zenodo.org/record/5151530
 
Title RadialPiecewisePolynomials.jl 
Description Implements a spectral element method for disks and annuli. To be combined with spectral methods for a fractional time derivative in a plug-and-play manner. 
Type Of Technology Software 
Year Produced 2023 
Open Source License? Yes  
Impact The first sparse spectral element method for weak formulations on disks and annuli. 
URL https://github.com/ioannisPApapadopoulos/RadialPiecewisePolynomials.jl
 
Title SemiclassicalOrthogonalPolynomials.jl v0.3.3 
Description Computes Semiclassical Jacobi Polynomials and related operators. 
Type Of Technology Software 
Year Produced 2022 
Open Source License? Yes  
Impact Used in constructing multivariate orthogonal polynomials, including on annuli needed for the project. 
URL https://github.com/JuliaApproximation/SemiclassicalOrthogonalPolynomials.jl
 
Title ioannisPApapadopoulos/SumSpaces.jl: v0.0.1 
Description No description provided. 
Type Of Technology Software 
Year Produced 2022 
Open Source License? Yes  
Impact Used in constructing frames in 1D which allows for solving fractional PDEs required in the project. 
URL https://zenodo.org/record/7185131
 
Title j-Wave: Differentiable acoustic simulations in JAX 
Description j-Wave is a library of simulators for acoustic applications. Is heavily inspired by k-Wave (a big portion of j-Wave is a port of k-Wave in JAX), and its intended to be used as a collection of modular blocks that can be easily included into any machine learning pipeline. Following the philosophy of JAX, j-Wave is developed with the following principles in mind: to be differentiable, to be fast via jit compilation, easy to run on GPUs, easy to customize. 
Type Of Technology Software 
Year Produced 2022 
Open Source License? Yes  
Impact j-Wave was used in a recent modelling intercomparison, and to study uncertainty in transcranial ultrasound simulation. 
URL https://github.com/ucl-bug/jwave
 
Title jaxdf - JAX-based Discretization Framework 
Description jaxdf is a JAX-based package defining a coding framework for writing differentiable numerical simulators with arbitrary discretizations. The intended use is to build numerical models of physical systems, such as wave propagation, or the numerical solution of partial differential equations, that are easy to customize to the user's research needs. Such models are pure functions that can be included into arbitrary differentiable programs written in JAX: for example, they can be used as layers of neural networks, or to build a physics loss function. 
Type Of Technology Software 
Year Produced 2022 
Open Source License? Yes  
Impact jaxdf is being used by researchers interested in differentiable models, and forms the basis for the j-Wave acoustic simulation software. 
URL https://github.com/ucl-bug/jaxdf
 
Description Minisymposium at CSE23 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Organisation of a minisymposium involving 8 talks at CSE23 titled "Applications and implementations of fast spectral methods". The audience was around 50 people and the talks were received very well.
Year(s) Of Engagement Activity 2023
URL https://www.siam.org/conferences/cm/conference/cse23
 
Description Numerics & Acoustics Workshop, Imperial, 2022 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact A 3-day workshop with around 25 people on numerics and acoustics. There was an open-ended format that encouraged thorough conversations.
Year(s) Of Engagement Activity 2022
 
Description Presented at CSE23 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Presented at CSE23 on "sparse spectral methods for fractional PDEs".
Year(s) Of Engagement Activity 2023
URL https://www.siam.org/conferences/cm/conference/cse23
 
Description Presented at Young Researcher's minisymposium at GAMM 2022 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Presentation at GAMM 2022.
Year(s) Of Engagement Activity 2022
URL https://jahrestagung.gamm-ev.de/annual-meeting-2022/annual-meeting/
 
Description Presented at the University of Leicester CSE Mathematics Seminar 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Professional Practitioners
Results and Impact Presented the work on sparse spectral methods for fractional PDEs at the University of Leicester CSE Mathematics Seminar
Year(s) Of Engagement Activity 2022