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Claire E. Heaney

Publications and source records attributed to Claire E. Heaney.

15 recordsLinked to original sources

Parameter estimation for land-surface models using Neural Physics

We propose a novel inverse-modelling approach that estimates the parameters of a simple land-surface model (LSM) by assimilating data into a differentiable, physics-based forward model formulated using convolutional operations. The governing equations are expressed within the Neural Physics framework, allowing direct gradient-based optimisation of time-dependent parameters without the need to derive and maintain adjoint formulations. The model parameters are estimated by minimising the mismatch between model predictions and synthetic or observational data. Although differentiability is enabled through machine-learning libraries, the forward model itself remains entirely physics-based and neither the forward model nor the parameter estimation procedure involve training. To evaluate the approach, we first generate synthetic observations of soil temperature by running the forward model with known parameter values and subsequently treat these parameters as unknown in an inverse problem. We show that observations of soil temperature at a single depth are insufficient to reliably constrain the model parameters. Using observations at two depths, however, does yield reliable parameter estimates, although the individual contributions of latent and sensible heat fluxes cannot be distinguished. We also apply the approach to urban flux tower data from Phoenix, United States, and show that the thermal conductivity, volumetric heat capacity and the combined sensible-latent heat transfer coefficient can be reliably estimated whilst using an observed value for the effective surface albedo. The resulting model accurately predicts the outgoing longwave radiation, conductive soil fluxes and the combined sensible-latent heat fluxes, demonstrating that the Neural Physics framework can be used to accurately determine the parameters of the particular LSM used here...

physics.ao-ph↗

Inpainting U-Net for seamless pedestrian-level wind prediction across urban morphologies

Pedestrian-level wind prediction is essential for urban design and wind-comfort assessment, but high-fidelity simulations such as LES remain computationally expensive for rapid evaluation. This study develops a two-stage U-Net framework for efficient prediction of time-averaged pedestrian-level wind speed over realistic urban morphologies. The model is trained and evaluated using the UrbanTALES dataset, which contains realistic city configurations under different approaching wind directions. In the first stage, a baseline U-Net model (M1) predicts wind fields patch-by-patch from normalised building height and fetch information. This formulation allows application to urban domains of arbitrary size, but independent patch inference can introduce discontinuities at patch boundaries. To address this, a second U-Net model (M2) is introduced as an inpainting-based refinement model. M2 uses a larger contextual window containing the initial M1 prediction and local morphology to reduce discontinuities using neighbouring flow information. During full-field inference, M2 is applied iteratively using a Gauss-Seidel scheme until convergence. Results show that M1 captures the main spatial distribution of pedestrian-level wind speed and performs well in low- and moderate-velocity regions, although high-velocity peaks are less accurate. M2 substantially reduces patch-boundary artefacts and improves spatial coherence. Across unseen urban cases, the framework reproduces mean velocity and spatial variability reasonably well, while maximum velocities remain underestimated. Overall, the proposed framework provides an efficient and flexible surrogate model for high-resolution pedestrian-level wind prediction across realistic urban morphologies.

cs.CV↗

Surrogate models for Rock-Fluid Interaction: A Grid-Size-Invariant Approach

Modelling rock-fluid interaction requires solving a set of partial differential equations (PDEs) to predict the flow behaviour and the reactions of the fluid with the rock on the interfaces. Conventional high-fidelity numerical models require a high resolution to obtain reliable results, resulting in huge computational expense. This restricts the applicability of these models for multi-query problems, such as uncertainty quantification and optimisation, which require running numerous scenarios. As a cheaper alternative to high-fidelity models, this work develops eight surrogate models for predicting the fluid flow in porous media. Four of these are reduced-order models (ROM) based on one neural network for compression and another for prediction. The other four are single neural networks with the property of grid-size invariance; a term which we use to refer to image-to-image models that are capable of inferring on computational domains that are larger than those used during training. In addition to the novel grid-size-invariant framework for surrogate models, we compare the predictive performance of UNet and UNet++ architectures, and demonstrate that UNet++ outperforms UNet for surrogate models. Furthermore, we show that the grid-size-invariant approach is a reliable way to reduce memory consumption during training, resulting in good correlation between predicted and ground-truth values and outperforming the ROMs analysed. The application analysed is particularly challenging because fluid-induced rock dissolution results in a non-static solid field and, consequently, it cannot be used to help in adjustments of the future prediction.

cs.LG↗

Quantum Neural Physics: Solving Partial Differential Equations on Quantum Simulators using Quantum Convolutional Neural Networks

Neural Physics recasts local discretisations of partial differential equations (PDEs) as fixed convolutional operators, providing a physics-preserving alternative to data-driven surrogate modelling in scientific machine learning. However, existing realizations remain largely confined to classical AI hardware and do not directly connect to quantum structured operator design. To bridge this gap, we introduce a \emph{Quantum Neural Physics} framework and develop a Hybrid Quantum-Classical CNN Multigrid Solver (HQC-CNNMG). The proposed method maps analytically prescribed stencil operators to local quantum convolutional primitives and embeds them within a classical multilevel W-cycle architecture, combining the operator-centric view of scientific ML with the numerical rigor of multigrid solvers. Using amplitude encoding together with the Linear Combination of Unitaries (LCU) and the Quantum Fourier Transform (QFT), the resulting local quantum operators admit logarithmic-depth implementation, with circuit depth scaling as $\mathcal{O}(\log K)$ for an encoded block of size $K$ under the idealized parallel circuit model considered here. Numerical experiments on Poisson, transient diffusion, convection--diffusion, and incompressible Navier--Stokes problems demonstrate numerical consistency, stable multilevel behaviour, and workflow-level feasibility on noiseless simulators. Comparisons with representative quantum linear solver paradigms further show that the main strength of HQC-CNNMG lies in its balanced trade-off among local circuit depth, numerical robustness, and compatibility with PDE structure, rather than in fully quantum global inversion.

quant-ph↗

NeuralFVM: Neural-physics-based Finite Volume Method for Turbulent Flows Using the $k$-$ω$ Model

In this work, we develop a neural-physics solver based on finite volume method (FVM), namely NeuralFVM, for turbulent flows by implementing the standard $k$-$ω$ model designed for efficient Graphics Processing Unit (GPU) execution. The governing equations for fluid flow and heat transfer are reformulated as local tensor operations using convolution-based stencil operators, which enables compatibility with deep learning libraries while preserving the conservative properties of the FVM. A key challenge in implementing the turbulent model within such a framework is the treatment of the stiff destruction terms in the $k$ and $ω$ transport equations. To address this issue, an operator-splitting strategy is introduced in which the stiff destruction terms are handled semi-implicitly while the remaining terms are advanced explicitly. This formulation avoids global matrix assembly and allows the entire solver to be implemented using local tensor operations. In addition, the pressure-velocity coupling is solved using a convolution-based geometric multigrid algorithm embedded within a neural network architecture. The resulting NeuralFVM solver is validated through comparison with simulations conducted using the commercial CFD software ANSYS Fluent for several channel-flow configurations and an indoor airflow scenario. The results demonstrate close agreement in velocity, temperature, and turbulence quantities, confirming the accuracy of the proposed approach. The developed GPU framework achieves a speedup of around 19-46 times compared with its Central Processing Unit (CPU) counterpart under different meshes. Moreover, the proposed solver naturally integrates with machine learning workflows, providing a promising foundation for future data-driven turbulence modeling and optimization.

physics.flu-dyn↗

An AI-driven framework for the prediction of personalised health response to air pollution

Air pollution is a growing global health threat, exacerbated by climate change and linked to cardiovascular and respiratory diseases. While personal sensing devices enable real-time physiological monitoring, their integration with environmental data for individualised health prediction remains underdeveloped. Here, we present a modular, cloud-based framework that predicts personalised physiological responses to pollution by combining wearable-derived data with real-time environmental exposures. At its core is an Adversarial Autoencoder (AAE), initially trained on high-resolution pollution-health data from the INHALE study and fine-tuned using smartwatch data via transfer learning to capture individual-specific patterns. Consistent with changes in pollution levels commonly observed in the real-world, simulated pollution spikes (+100%) revealed modest but measurable increases in vital signs (e.g., +2.5% heart rate, +3.5% breathing rate). To assess clinical relevance, we analysed U-BIOPRED data and found that individuals with such subclinical vital sign elevations had higher asthma burden scores or elevated Fractional Exhaled Nitric Oxide (FeNO), supporting the physiological validity of these AI-predicted responses. This integrative approach demonstrates the feasibility of anticipatory, personalised health modelling in response to environmental challenges, offering a scalable and secure infrastructure for AI-driven environmental health monitoring.

cs.LG↗

Neural Physics: Using AI Libraries to Develop Physics-Based Solvers for Incompressible Computational Fluid Dynamics

Numerical discretisations of partial differential equations (PDEs) can be written as discrete convolutions, which, themselves, are a key tool in AI libraries and used in convolutional neural networks (CNNs). We therefore propose to implement numerical discretisations as convolutional layers of a neural network, where the weights or filters are determined analytically rather than by training. Furthermore, we demonstrate that these systems can be solved entirely by functions in AI libraries, either by using Jacobi iteration or multigrid methods, the latter realised through a U-Net architecture. Some advantages of the Neural Physics approach are that (1) the methods are platform agnostic; (2) the resulting solvers are fully differentiable, ideal for optimisation tasks; and (3) writing CFD solvers as (untrained) neural networks means that they can be seamlessly integrated with trained neural networks to form hybrid models. We demonstrate the proposed approach on a number of test cases of increasing complexity from advection-diffusion problems, the non-linear Burgers equation to the Navier-Stokes equations. We validate the approach by comparing our results with solutions obtained from traditionally written code and common benchmarks from the literature. We show that the proposed methodology can solve all these problems using repurposed AI libraries in an efficient way, without training, and presents a new avenue to explore in the development of methods to solve PDEs with implicit methods.

physics.flu-dyn↗

Solving the Discretised Multiphase Flow Equations with Interface Capturing on Structured Grids Using Machine Learning Libraries

This paper solves the discretised multiphase flow equations using tools and methods from machine-learning libraries. The idea comes from the observation that convolutional layers can be used to express a discretisation as a neural network whose weights are determined by the numerical method, rather than by training, and hence, we refer to this approach as Neural Networks for PDEs (NN4PDEs). To solve the discretised multiphase flow equations, a multigrid solver is implemented through a convolutional neural network with a U-Net architecture. Immiscible two-phase flow is modelled by the 3D incompressible Navier-Stokes equations with surface tension and advection of a volume fraction field, which describes the interface between the fluids. A new compressive algebraic volume-of-fluids method is introduced, based on a residual formulation using Petrov-Galerkin for accuracy and designed with NN4PDEs in mind. High-order finite-element based schemes are chosen to model a collapsing water column and a rising bubble. Results compare well with experimental data and other numerical results from the literature, demonstrating that, for the first time, finite element discretisations of multiphase flows can be solved using an approach based on (untrained) convolutional neural networks. A benefit of expressing numerical discretisations as neural networks is that the code can run, without modification, on CPUs, GPUs or the latest accelerators designed especially to run AI codes.

physics.flu-dyn↗

Generative Network-Based Reduced-Order Model for Prediction, Data Assimilation and Uncertainty Quantification

We propose a new method in which a generative network (GN) integrate into a reduced-order model (ROM) framework is used to solve inverse problems for partial differential equations (PDE). The aim is to match available measurements and estimate the corresponding uncertainties associated with the states and parameters of a numerical physical simulation. The GN is trained using only unconditional simulations of the discretized PDE model. We compare the proposed method with the golden standard Markov chain Monte Carlo. We apply the proposed approaches to a spatio-temporal compartmental model in epidemiology. The results show that the proposed GN-based ROM can efficiently quantify uncertainty and accurately match the measurements and the golden standard, using only a few unconditional simulations of the full-order numerical PDE model.

cs.LG↗

An AI-based Domain-Decomposition Non-Intrusive Reduced-Order Model for Extended Domains applied to Multiphase Flow in Pipes

The modelling of multiphase flow in a pipe presents a significant challenge for high-resolution computational fluid dynamics (CFD) models due to the high aspect ratio (length over diameter) of the domain. In subsea applications, the pipe length can be several hundreds of kilometres versus a pipe diameter of just a few inches. In this paper, we present a new AI-based non-intrusive reduced-order model within a domain decomposition framework (AI-DDNIROM) which is capable of making predictions for domains significantly larger than the domain used in training. This is achieved by using domain decomposition; dimensionality reduction; training a neural network to make predictions for a single subdomain; and by using an iteration-by-subdomain technique to converge the solution over the whole domain. To find the low-dimensional space, we explore several types of autoencoder networks, known for their ability to compress information accurately and compactly. The performance of the autoencoders is assessed on two advection-dominated problems: flow past a cylinder and slug flow in a pipe. To make predictions in time, we exploit an adversarial network which aims to learn the distribution of the training data, in addition to learning the mapping between particular inputs and outputs. This type of network has shown the potential to produce realistic outputs. The whole framework is applied to multiphase slug flow in a horizontal pipe for which an AI-DDNIROM is trained on high-fidelity CFD simulations of a pipe of length 10 m with an aspect ratio of 13:1, and tested by simulating the flow for a pipe of length 98 m with an aspect ratio of almost 130:1. Statistics of the flows obtained from the CFD simulations are compared to those of the AI-DDNIROM predictions to demonstrate the success of our approach.

physics.flu-dyn↗

Data Assimilation Predictive GAN (DA-PredGAN): applied to determine the spread of COVID-19

We propose the novel use of a generative adversarial network (GAN) (i) to make predictions in time (PredGAN) and (ii) to assimilate measurements (DA-PredGAN). In the latter case, we take advantage of the natural adjoint-like properties of generative models and the ability to simulate forwards and backwards in time. GANs have received much attention recently, after achieving excellent results for their generation of realistic-looking images. We wish to explore how this property translates to new applications in computational modelling and to exploit the adjoint-like properties for efficient data assimilation. To predict the spread of COVID-19 in an idealised town, we apply these methods to a compartmental model in epidemiology that is able to model space and time variations. To do this, the GAN is set within a reduced-order model (ROM), which uses a low-dimensional space for the spatial distribution of the simulation states. Then the GAN learns the evolution of the low-dimensional states over time. The results show that the proposed methods can accurately predict the evolution of the high-fidelity numerical simulation, and can efficiently assimilate observed data and determine the corresponding model parameters.

cs.LG↗

Digital twins based on bidirectional LSTM and GAN for modelling the COVID-19 pandemic

The outbreak of the coronavirus disease 2019 (COVID-19) has now spread throughout the globe infecting over 150 million people and causing the death of over 3.2 million people. Thus, there is an urgent need to study the dynamics of epidemiological models to gain a better understanding of how such diseases spread. While epidemiological models can be computationally expensive, recent advances in machine learning techniques have given rise to neural networks with the ability to learn and predict complex dynamics at reduced computational costs. Here we introduce two digital twins of a SEIRS model applied to an idealised town. The SEIRS model has been modified to take account of spatial variation and, where possible, the model parameters are based on official virus spreading data from the UK. We compare predictions from a data-corrected Bidirectional Long Short-Term Memory network and a predictive Generative Adversarial Network. The predictions given by these two frameworks are accurate when compared to the original SEIRS model data. Additionally, these frameworks are data-agnostic and could be applied to towns, idealised or real, in the UK or in other countries. Also, more compartments could be included in the SEIRS model, in order to study more realistic epidemiological behaviour.

cs.LG↗

Applying Convolutional Neural Networks to Data on Unstructured Meshes with Space-Filling Curves

This paper presents the first classical Convolutional Neural Network (CNN) that can be applied directly to data from unstructured finite element meshes or control volume grids. CNNs have been hugely influential in the areas of image classification and image compression, both of which typically deal with data on structured grids. Unstructured meshes are frequently used to solve partial differential equations and are particularly suitable for problems that require the mesh to conform to complex geometries or for problems that require variable mesh resolution. Central to the approach are space-filling curves, which traverse the nodes or cells of a mesh tracing out a path that is as short as possible (in terms of numbers of edges) and that visits each node or cell exactly once. The space-filling curves (SFCs) are used to find an ordering of the nodes or cells that can transform multi-dimensional solutions on unstructured meshes into a one-dimensional (1D) representation, to which 1D convolutional layers can then be applied. Although developed in two dimensions, the approach is applicable to higher dimensional problems. To demonstrate the approach, the network we choose is a convolutional autoencoder (CAE) although other types of CNN could be used. The approach is tested by applying CAEs to data sets that have been reordered with an SFC. Sparse layers are used at the input and output of the autoencoder, and the use of multiple SFCs is explored. We compare the accuracy of the SFC-based CAE with that of a classical CAE applied to two idealised problems on structured meshes, and then apply the approach to solutions of flow past a cylinder obtained using the finite-element method and an unstructured mesh.

math.NA↗

An autoencoder-based reduced-order model for eigenvalue problems with application to neutron diffusion

Using an autoencoder for dimensionality reduction, this paper presents a novel projection-based reduced-order model for eigenvalue problems. Reduced-order modelling relies on finding suitable basis functions which define a low-dimensional space in which a high-dimensional system is approximated. Proper orthogonal decomposition (POD) and singular value decomposition (SVD) are often used for this purpose and yield an optimal linear subspace. Autoencoders provide a nonlinear alternative to POD/SVD, that may capture, more efficiently, features or patterns in the high-fidelity model results. Reduced-order models based on an autoencoder and a novel hybrid SVD-autoencoder are developed. These methods are compared with the standard POD-Galerkin approach and are applied to two test cases taken from the field of nuclear reactor physics.

math.NA↗

On stability, convergence and accuracy of bES-FEM and bFS-FEM for nearly incompressible elasticity

We present in this paper a rigorous theoretical framework to show stability, convergence and accuracy of improved edge-based and face-based smoothed finite element methods (bESFEM and bFS-FEM) for nearly-incompressible elasticity problems. The crucial idea is that the space of piecewise linear polynomials used for the displacements is enriched with bubble functions on each element, while the pressure is a piecewise constant function. The meshes of triangular or tetrahedral elements required by these methods can be generated automatically. The enrichment induces a softening in the bilinear form allowing the weakened weak (W2)procedure to produce a high-quality solution, free from locking and that does not oscillate. We prove theoretically that both methods confirm the uniform inf-sup and convergence conditions. Four numerical examples are given to validate the reliability of the bES-FEM and bFS-FEM.

math.NA↗