arXiv subjects

Vignesh Gopakumar

Publications and source records attributed to Vignesh Gopakumar.

15 recordsLinked to original sources

arXiv2026

Data-Efficient Neural Operator Training via Physics-Based Active Learning

Solving partial differential equations with neural operators significantly reduces computational costs but remains bottlenecked by high training data requirements. Active learning offers a natural framework to mitigate this by selectively acquiring the most informative samples in an iterative manner. We introduce physics-based acquisition - a novel physics-informed active learning algorithm that leverages the partial differential equation residual to guide data selection. We validate the method by presenting numerical experiments for the 1D Burgers equation and the 2D compressible Navier-Stokes equations. We show that, in our experiments, physics-based acquisition consistently outperforms random acquisition and matches the state of the art in data efficiency. At the same time, it has the unique advantage of injecting a physics inductive bias into the training process, ensuring that simulation cost is spent where the model's physical understanding is weakest.

cs.LG↗

arXiv2026

Learning Physical Operators using Neural Operators

Neural operators have emerged as promising surrogate models for solving partial differential equations (PDEs), but struggle to generalise beyond training distributions and are often constrained to a fixed temporal discretisation. This work introduces a physics-informed training framework that addresses these limitations by decomposing PDEs using operator splitting methods, training separate neural operators to learn individual non-linear physical operators while approximating linear operators with fixed finite-difference convolutions. This modular mixture-of-experts architecture enables generalisation to novel physical regimes by explicitly encoding the underlying operator structure. We formulate the modelling task as a neural ordinary differential equation (ODE) where these learned operators constitute the right-hand side, enabling continuous-in-time predictions through standard ODE solvers and implicitly enforcing PDE constraints. Demonstrated on incompressible and compressible Navier--Stokes equations, our approach achieves better convergence and superior performance when generalising to unseen physics. The method remains parameter-efficient, enabling temporal extrapolation beyond training horizons, and provides interpretable components whose behaviour can be verified against known physics.

cs.LG↗

arXiv2025

Leveraging AI modelling for FDS with Simvue: monitor and optimise for more sustainable simulations

There is high demand on fire simulations, in both scale and quantity. We present a multi-pronged approach to improving the time and energy required to meet these demands. We show the ability of a custom machine learning surrogate model to predict the dynamics of heat propagation orders of magnitude faster than state-of-the-art CFD software for this application. We also demonstrate how a guided optimisation procedure can decrease the number of simulations required to meet an objective; using lightweight models to decide which simulations to run, we see a tenfold reduction when locating the most dangerous location for a fire to occur within a building based on the impact of smoke on visibility. Finally we present a framework and product, Simvue, through which we access these tools along with a host of automatic organisational and tracking features which enables future reuse of data and more savings through better management of simulations and combating redundancy.

cs.LG↗

arXiv2025

Bayesian optimisation of poloidal field coil positions in tokamaks

The tokamak is a world-leading concept for producing sustainable energy via magnetically-confined nuclear fusion. Identifying where to position the magnets within a tokamak, specifically the poloidal field (PF) coils, is a design problem which requires balancing a number of competing economic, physical, and engineering objectives and constraints. In this paper, we show that multi-objective Bayesian optimisation (BO), an iterative optimisation technique utilising probabilistic machine learning models, can effectively explore this complex design space and return several optimal PF coil sets. These solutions span the Pareto front, a subset of the objective space that optimally satisfies the specified objective functions. We outline an easy-to-use BO framework and demonstrate that it outperforms alternative optimisation techniques while using significantly fewer computational resources. Our results show that BO is a promising technique for fusion design problems that rely on computationally demanding high-fidelity simulations.

physics.plasm-ph↗

arXiv2025

Calibrated Physics-Informed Uncertainty Quantification

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on solving partial differential equations (PDEs) using numerical methods, which are computationally expensive and often prohibitively slow for real-time applications or large-scale simulations. Neural PDEs have emerged as efficient alternatives to these costly numerical solvers, offering significant computational speed-ups. However, their lack of robust uncertainty quantification (UQ) limits deployment in critical applications. We introduce a model-agnostic, physics-informed conformal prediction (CP) framework that provides guaranteed uncertainty estimates without requiring labelled data. By utilising a physics-based approach, we can quantify and calibrate the model's inconsistencies with the physics rather than the uncertainty arising from the data. Our approach utilises convolutional layers as finite-difference stencils and leverages physics residual errors as nonconformity scores, enabling data-free UQ with marginal and joint coverage guarantees across prediction domains for a range of complex PDEs. We further validate the efficacy of our method on neural PDE models for plasma modelling and shot design in fusion reactors.

cs.LG↗

arXiv2025

Guaranteed prediction sets for functional surrogate models

We propose a method for obtaining statistically guaranteed prediction sets for functional machine learning methods: surrogate models which map between function spaces, motivated by the need to build reliable PDE emulators. The method constructs nested prediction sets on a low-dimensional representation (an SVD) of the surrogate model's error, and then maps these sets to the prediction space using set-propagation techniques. This results in prediction sets for functional surrogate models with conformal prediction coverage guarantees. We use zonotopes as basis of the set construction, which allow an exact linear propagation and are closed under Cartesian products, making them well-suited to this high-dimensional problem. The method is model agnostic and can thus be applied to complex Sci-ML models, including Neural Operators, but also in simpler settings. We also introduce a technique to capture the truncation error of the SVD, preserving the guarantees of the method.

cs.LG↗

arXiv2024

Uncertainty Quantification of Surrogate Models using Conformal Prediction

Data-driven surrogate models offer quick approximations to complex numerical and experimental systems but typically lack uncertainty quantification, limiting their reliability in safety-critical applications. While Bayesian methods provide uncertainty estimates, they offer no statistical guarantees and struggle with high-dimensional spatio-temporal problems due to computational costs. We present a conformal prediction (CP) framework that provides statistically guaranteed marginal coverage for surrogate models in a model-agnostic manner with near-zero computational cost. Our approach handles high-dimensional spatio-temporal outputs by performing cell-wise calibration while preserving the tensorial structure of predictions. Through extensive empirical evaluation across diverse applications including fluid dynamics, magnetohydrodynamics, weather forecasting, and fusion diagnostics, we demonstrate that CP achieves empirical coverage with valid error bars regardless of model architecture, training regime, or output dimensionality. We evaluate three nonconformity scores (conformalised quantile regression, absolute error residual, and standard deviation) for both deterministic and probabilistic models, showing that guaranteed coverage holds even for out-of-distribution predictions where models are deployed on physics regimes different from training data. Calibration requires only seconds to minutes on standard hardware. The framework enables rigorous validation of pre-trained surrogate models for downstream applications without retraining. While CP provides marginal rather than conditional coverage and assumes exchangeability between calibration and test data, our method circumvents the curse of dimensionality inherent in traditional uncertainty quantification approaches, offering a practical tool for trustworthy deployment of machine learning in physical sciences.

cs.AI↗

arXiv2024

Valid Error Bars for Neural Weather Models using Conformal Prediction

Neural weather models have shown immense potential as inexpensive and accurate alternatives to physics-based models. However, most models trained to perform weather forecasting do not quantify the uncertainty associated with their forecasts. This limits the trust in the model and the usefulness of the forecasts. In this work we construct and formalise a conformal prediction framework as a post-processing method for estimating this uncertainty. The method is model-agnostic and gives calibrated error bounds for all variables, lead times and spatial locations. No modifications are required to the model and the computational cost is negligible compared to model training. We demonstrate the usefulness of the conformal prediction framework on a limited area neural weather model for the Nordic region. We further explore the advantages of the framework for deterministic and probabilistic models.

cs.LG↗

arXiv2023

Plasma Surrogate Modelling using Fourier Neural Operators

Predicting plasma evolution within a Tokamak reactor is crucial to realizing the goal of sustainable fusion. Capabilities in forecasting the spatio-temporal evolution of plasma rapidly and accurately allow us to quickly iterate over design and control strategies on current Tokamak devices and future reactors. Modelling plasma evolution using numerical solvers is often expensive, consuming many hours on supercomputers, and hence, we need alternative inexpensive surrogate models. We demonstrate accurate predictions of plasma evolution both in simulation and experimental domains using deep learning-based surrogate modelling tools, viz., Fourier Neural Operators (FNO). We show that FNO has a speedup of six orders of magnitude over traditional solvers in predicting the plasma dynamics simulated from magnetohydrodynamic models, while maintaining a high accuracy (MSE in the normalised domain $\approx$ $10^{-5}$). Our modified version of the FNO is capable of solving multi-variable Partial Differential Equations (PDE), and can capture the dependence among the different variables in a single model. FNOs can also predict plasma evolution on real-world experimental data observed by the cameras positioned within the MAST Tokamak, i.e., cameras looking across the central solenoid and the divertor in the Tokamak. We show that FNOs are able to accurately forecast the evolution of plasma and have the potential to be deployed for real-time monitoring. We also illustrate their capability in forecasting the plasma shape, the locations of interactions of the plasma with the central solenoid and the divertor for the full (available) duration of the plasma shot within MAST. The FNO offers a viable alternative for surrogate modelling as it is quick to train and infer, and requires fewer data points, while being able to do zero-shot super-resolution and getting high-fidelity solutions.

physics.plasm-ph↗

arXiv2023

Multi-objective Bayesian optimization for design of Pareto-optimal current drive profiles in STEP

The safety factor profile is a key property in determining the stability of tokamak plasmas. To design the safety factor profile in the United Kingdom's proposed Spherical Tokamak for Energy Production (STEP), we apply multi-objective Bayesian optimisation to design electron-cyclotron heating profiles. Bayesian optimisation is an iterative machine learning technique that uses an uncertainty-aware predictive model to choose the next designs to evaluate based on the data gathered during optimisation. By taking a multi-objective approach, the optimiser generates sets of solutions that represent optimal tradeoffs between objectives, enabling decision makers to understand the compromises made in each design. The solutions from our method score higher than those generated in previous work by a genetic algorithm; however, the key result is that our method returns a purposefully diverse range of optimal solutions, providing more information to tokamak designers without incurring additional computational cost.

physics.plasm-ph↗

arXiv2023

Shaping of Magnetic Field Coils in Fusion Reactors using Bayesian Optimisation

Nuclear fusion using magnetic confinement holds promise as a viable method for sustainable energy. However, most fusion devices have been experimental and as we move towards energy reactors, we are entering into a new paradigm of engineering. Curating a design for a fusion reactor is a high-dimensional multi-output optimisation process. Through this work we demonstrate a proof-of-concept of an AI-driven strategy to help explore the design search space and identify optimum parameters. By utilising a Multi-Output Bayesian Optimisation scheme, our strategy is capable of identifying the Pareto front associated with the optimisation of the toroidal field coil shape of a tokamak. The optimisation helps to identify design parameters that would minimise the costs incurred while maximising the plasma stability by way of minimising magnetic ripples.

physics.plasm-ph↗

arXiv2023

Fourier-RNNs for Modelling Noisy Physics Data

Classical sequential models employed in time-series prediction rely on learning the mappings from the past to the future instances by way of a hidden state. The Hidden states characterise the historical information and encode the required temporal dependencies. However, most existing sequential models operate within finite-dimensional Euclidean spaces which offer limited functionality when employed in modelling physics relevant data. Alternatively recent work with neural operator learning within the Fourier space has shown efficient strategies for parameterising Partial Differential Equations (PDE). In this work, we propose a novel sequential model, built to handle Physics relevant data by way of amalgamating the conventional RNN architecture with that of the Fourier Neural Operators (FNO). The Fourier-RNN allows for learning the mappings from the input to the output as well as to the hidden state within the Fourier space associated with the temporal data. While the Fourier-RNN performs identical to the FNO when handling PDE data, it outperforms the FNO and the conventional RNN when deployed in modelling noisy, non-Markovian data.

cs.LG↗

arXiv2023

Fourier Neural Operator for Plasma Modelling

Predicting plasma evolution within a Tokamak is crucial to building a sustainable fusion reactor. Whether in the simulation space or within the experimental domain, the capability to forecast the spatio-temporal evolution of plasma field variables rapidly and accurately could improve active control methods on current tokamak devices and future fusion reactors. In this work, we demonstrate the utility of using Fourier Neural Operator (FNO) to model the plasma evolution in simulations and experiments. Our work shows that the FNO is capable of predicting magnetohydrodynamic models governing the plasma dynamics, 6 orders of magnitude faster than the traditional numerical solver, while maintaining considerable accuracy (NMSE $\sim 10^{-5})$. Our work also benchmarks the performance of the FNO against other standard surrogate models such as Conv-LSTM and U-Net and demonstrate that the FNO takes significantly less time to train, requires less parameters and outperforms other models. We extend the FNO approach to model the plasma evolution observed by the cameras positioned within the MAST spherical tokamak. We illustrate its capability in forecasting the formation of filaments within the plasma as well as the heat deposits. The FNO deployed to model the camera is capable of forecasting the full length of the plasma shot within half the time of the shot duration.

physics.plasm-ph↗

arXiv2022

Loss Landscape Engineering via Data Regulation on PINNs

Physics-Informed Neural Networks have shown unique utility in parameterising the solution of a well-defined partial differential equation using automatic differentiation and residual losses. Though they provide theoretical guarantees of convergence, in practice the required training regimes tend to be exacting and demanding. Through the course of this paper, we take a deep dive into understanding the loss landscapes associated with a PINN and how that offers some insight as to why PINNs are fundamentally hard to optimise for. We demonstrate how PINNs can be forced to converge better towards the solution, by way of feeding in sparse or coarse data as a regulator. The data regulates and morphs the topology of the loss landscape associated with the PINN to make it easily traversable for the minimiser. Data regulation of PINNs helps ease the optimisation required for convergence by invoking a hybrid unsupervised-supervised training approach, where the labelled data pushes the network towards the vicinity of the solution, and the unlabelled regime fine-tunes it to the solution.

cs.LG↗

arXiv2021

Fast Regression of the Tritium Breeding Ratio in Fusion Reactors

The tritium breeding ratio (TBR) is an essential quantity for the design of modern and next-generation D-T fueled nuclear fusion reactors. Representing the ratio between tritium fuel generated in breeding blankets and fuel consumed during reactor runtime, the TBR depends on reactor geometry and material properties in a complex manner. In this work, we explored the training of surrogate models to produce a cheap but high-quality approximation for a Monte Carlo TBR model in use at the UK Atomic Energy Authority. We investigated possibilities for dimensional reduction of its feature space, reviewed 9 families of surrogate models for potential applicability, and performed hyperparameter optimisation. Here we present the performance and scaling properties of these models, the fastest of which, an artificial neural network, demonstrated $R^2=0.985$ and a mean prediction time of $0.898\ \mu\mathrm{s}$, representing a relative speedup of $8\cdot 10^6$ with respect to the expensive MC model. We further present a novel adaptive sampling algorithm, Quality-Adaptive Surrogate Sampling, capable of interfacing with any of the individually studied surrogates. Our preliminary testing on a toy TBR theory has demonstrated the efficacy of this algorithm for accelerating the surrogate modelling process.

physics.comp-ph↗