Calibrated Physics-Informed Uncertainty Quantification
- URL: http://arxiv.org/abs/2502.04406v1
- Date: Thu, 06 Feb 2025 09:23:06 GMT
- Title: Calibrated Physics-Informed Uncertainty Quantification
- Authors: Vignesh Gopakumar, Ander Gray, Lorenzo Zanisi, Timothy Nunn, Stanislas Pamela, Daniel Giles, Matt J. Kusner, Marc Peter Deisenroth,
- Abstract summary: We introduce a model-agnostic, physics-informed conformal prediction (CP) framework that provides guaranteed uncertainty estimates without requiring labelled data.
We are able to quantify and calibrate the model's inconsistencies with the PDE rather than the uncertainty arising from the data.
- Score: 16.985414812517252
- License:
- Abstract: Neural PDEs offer efficient alternatives to computationally expensive numerical PDE solvers for simulating complex physical systems. 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 are able to quantify and calibrate the model's inconsistencies with the PDE rather than the uncertainty arising from the data. Our approach uses 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.
Related papers
- Adaptation of uncertainty-penalized Bayesian information criterion for parametric partial differential equation discovery [1.1049608786515839]
We introduce an extension of the uncertainty-penalized Bayesian information criterion (UBIC) to solve parametric PDE discovery problems efficiently.
UBIC uses quantified PDE uncertainty over different temporal or spatial points to prevent overfitting in model selection.
We show that our extended UBIC can identify the true number of terms and their varying coefficients accurately, even in the presence of noise.
arXiv Detail & Related papers (2024-08-15T12:10:50Z) - Physics-Aware Neural Implicit Solvers for multiscale, parametric PDEs with applications in heterogeneous media [1.8416014644193066]
We propose a novel, data-driven framework for learning surrogates for parametrized Partial Differential Equations (PDEs)
It consists of a probabilistic, learning objective in which weighted residuals are used to probe the PDE and provide a source of em virtual data i.e. the actual PDE never needs to be solved.
This is combined with a physics-aware implicit solver that consists of a much coarser, discretized version of the original PDE.
arXiv Detail & Related papers (2024-05-29T12:01:49Z) - Unisolver: PDE-Conditional Transformers Are Universal PDE Solvers [55.0876373185983]
We present the Universal PDE solver (Unisolver) capable of solving a wide scope of PDEs.
Our key finding is that a PDE solution is fundamentally under the control of a series of PDE components.
Unisolver achieves consistent state-of-the-art results on three challenging large-scale benchmarks.
arXiv Detail & Related papers (2024-05-27T15:34:35Z) - Uncertainty Quantification for Forward and Inverse Problems of PDEs via
Latent Global Evolution [110.99891169486366]
We propose a method that integrates efficient and precise uncertainty quantification into a deep learning-based surrogate model.
Our method endows deep learning-based surrogate models with robust and efficient uncertainty quantification capabilities for both forward and inverse problems.
Our method excels at propagating uncertainty over extended auto-regressive rollouts, making it suitable for scenarios involving long-term predictions.
arXiv Detail & Related papers (2024-02-13T11:22:59Z) - Deep Equilibrium Based Neural Operators for Steady-State PDEs [100.88355782126098]
We study the benefits of weight-tied neural network architectures for steady-state PDEs.
We propose FNO-DEQ, a deep equilibrium variant of the FNO architecture that directly solves for the solution of a steady-state PDE.
arXiv Detail & Related papers (2023-11-30T22:34:57Z) - Adaptive Uncertainty-Guided Model Selection for Data-Driven PDE
Discovery [3.065513003860786]
We propose a new parameter-adaptive uncertainty-penalized Bayesian information criterion (UBIC) to prioritize the parsimonious partial differential equation (PDE)
We numerically affirm the successful application of the UBIC in identifying the true governing PDE.
We reveal an interesting effect of denoising the observed data on improving the trade-off between the BIC score and model complexity.
arXiv Detail & Related papers (2023-08-20T14:36:45Z) - Monte Carlo Neural PDE Solver for Learning PDEs via Probabilistic Representation [59.45669299295436]
We propose a Monte Carlo PDE solver for training unsupervised neural solvers.
We use the PDEs' probabilistic representation, which regards macroscopic phenomena as ensembles of random particles.
Our experiments on convection-diffusion, Allen-Cahn, and Navier-Stokes equations demonstrate significant improvements in accuracy and efficiency.
arXiv Detail & Related papers (2023-02-10T08:05:19Z) - MAgNet: Mesh Agnostic Neural PDE Solver [68.8204255655161]
Climate predictions require fine-temporal resolutions to resolve all turbulent scales in the fluid simulations.
Current numerical model solveers PDEs on grids that are too coarse (3km to 200km on each side)
We design a novel architecture that predicts the spatially continuous solution of a PDE given a spatial position query.
arXiv Detail & Related papers (2022-10-11T14:52:20Z) - Physics-Informed Neural Operator for Learning Partial Differential
Equations [55.406540167010014]
PINO is the first hybrid approach incorporating data and PDE constraints at different resolutions to learn the operator.
The resulting PINO model can accurately approximate the ground-truth solution operator for many popular PDE families.
arXiv Detail & Related papers (2021-11-06T03:41:34Z) - Bayesian neural networks for weak solution of PDEs with uncertainty
quantification [3.4773470589069473]
A new physics-constrained neural network (NN) approach is proposed to solve PDEs without labels.
We write the loss function of NNs based on the discretized residual of PDEs through an efficient, convolutional operator-based, and vectorized implementation.
We demonstrate the capability and performance of the proposed framework by applying it to steady-state diffusion, linear elasticity, and nonlinear elasticity.
arXiv Detail & Related papers (2021-01-13T04:57:51Z) - APIK: Active Physics-Informed Kriging Model with Partial Differential
Equations [6.918364447822299]
We present a PDE Informed Kriging model (PIK), which introduces PDE information via a set of PDE points and conducts posterior prediction similar to the standard kriging method.
To further improve learning performance, we propose an Active PIK framework (APIK) that designs PDE points to leverage the PDE information based on the PIK model and measurement data.
arXiv Detail & Related papers (2020-12-22T02:31:26Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.