Deep surrogate accelerated delayed-acceptance HMC for Bayesian inference
of spatio-temporal heat fluxes in rotating disc systems
- URL: http://arxiv.org/abs/2204.02272v2
- Date: Mon, 5 Jun 2023 14:59:18 GMT
- Title: Deep surrogate accelerated delayed-acceptance HMC for Bayesian inference
of spatio-temporal heat fluxes in rotating disc systems
- Authors: Teo Deveney, Eike Mueller, Tony Shardlow
- Abstract summary: We introduce a deep learning accelerated to methodology to solve PDE-based inverse problems with guaranteed accuracy.
This is motivated by the ill-posed problem inferring a heat-temporal parameter known as the Biot number data.
- Score: 0.0
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: We introduce a deep learning accelerated methodology to solve PDE-based
Bayesian inverse problems with guaranteed accuracy. This is motivated by the
ill-posed problem of inferring a spatio-temporal heat-flux parameter known as
the Biot number given temperature data, however the methodology is
generalisable to other settings. To accelerate Bayesian inference, we develop a
novel training scheme that uses data to adaptively train a neural-network
surrogate simulating the parametric forward model. By simultaneously
identifying an approximate posterior distribution over the Biot number, and
weighting a physics-informed training loss according to this, our approach
approximates forward and inverse solution together without any need for
external solves. Using a random Chebyshev series, we outline how to approximate
a Gaussian process prior, and using the surrogate we apply Hamiltonian Monte
Carlo (HMC) to sample from the posterior distribution. We derive convergence of
the surrogate posterior to the true posterior distribution in the Hellinger
metric as our adaptive loss approaches zero. Additionally, we describe how this
surrogate-accelerated HMC approach can be combined with traditional PDE solvers
in a delayed-acceptance scheme to a-priori control the posterior accuracy. This
overcomes a major limitation of deep learning-based surrogate approaches, which
do not achieve guaranteed accuracy a-priori due to their non-convex training.
Biot number calculations are involved in turbo-machinery design, which is
safety critical and highly regulated, therefore it is important that our
results have such mathematical guarantees. Our approach achieves fast mixing in
high dimensions whilst retaining the convergence guarantees of a traditional
PDE solver, and without the burden of evaluating this solver for proposals that
are likely to be rejected. Numerical results are given using real and simulated
data.
Related papers
- Total Uncertainty Quantification in Inverse PDE Solutions Obtained with Reduced-Order Deep Learning Surrogate Models [50.90868087591973]
We propose an approximate Bayesian method for quantifying the total uncertainty in inverse PDE solutions obtained with machine learning surrogate models.
We test the proposed framework by comparing it with the iterative ensemble smoother and deep ensembling methods for a non-linear diffusion equation.
arXiv Detail & Related papers (2024-08-20T19:06:02Z) - Offline Bayesian Aleatoric and Epistemic Uncertainty Quantification and Posterior Value Optimisation in Finite-State MDPs [3.1139806580181006]
We address the challenge of quantifying Bayesian uncertainty in offline use cases of finite-state Markov Decision Processes (MDPs) with unknown dynamics.
We use standard Bayesian reinforcement learning methods to capture the posterior uncertainty in MDP parameters.
We then analytically compute the first two moments of the return distribution across posterior samples and apply the law of total variance.
We highlight the real-world impact and computational scalability of our method by applying it to the AI Clinician problem.
arXiv Detail & Related papers (2024-06-04T16:21:14Z) - Leveraging viscous Hamilton-Jacobi PDEs for uncertainty quantification in scientific machine learning [1.8175282137722093]
Uncertainty (UQ) in scientific machine learning (SciML) combines the powerful predictive power of SciML with methods for quantifying the reliability of the learned models.
We provide a new interpretation for UQ problems by establishing a new theoretical connection between some Bayesian inference problems arising in SciML and viscous Hamilton-Jacobi partial differential equations (HJ PDEs)
We develop a new Riccati-based methodology that provides computational advantages when continuously updating the model predictions.
arXiv Detail & Related papers (2024-04-12T20:54:01Z) - Conformal Approach To Gaussian Process Surrogate Evaluation With
Coverage Guarantees [47.22930583160043]
We propose a method for building adaptive cross-conformal prediction intervals.
The resulting conformal prediction intervals exhibit a level of adaptivity akin to Bayesian credibility sets.
The potential applicability of the method is demonstrated in the context of surrogate modeling of an expensive-to-evaluate simulator of the clogging phenomenon in steam generators of nuclear reactors.
arXiv Detail & Related papers (2024-01-15T14:45:18Z) - Adaptive operator learning for infinite-dimensional Bayesian inverse problems [7.716833952167609]
We develop an adaptive operator learning framework that can reduce modeling error gradually by forcing the surrogate to be accurate in local areas.
We present a rigorous convergence guarantee in the linear case using the UKI framework.
The numerical results show that our method can significantly reduce computational costs while maintaining inversion accuracy.
arXiv Detail & Related papers (2023-10-27T01:50:33Z) - Calibrating Neural Simulation-Based Inference with Differentiable
Coverage Probability [50.44439018155837]
We propose to include a calibration term directly into the training objective of the neural model.
By introducing a relaxation of the classical formulation of calibration error we enable end-to-end backpropagation.
It is directly applicable to existing computational pipelines allowing reliable black-box posterior inference.
arXiv Detail & Related papers (2023-10-20T10:20:45Z) - An Optimization-based Deep Equilibrium Model for Hyperspectral Image
Deconvolution with Convergence Guarantees [71.57324258813675]
We propose a novel methodology for addressing the hyperspectral image deconvolution problem.
A new optimization problem is formulated, leveraging a learnable regularizer in the form of a neural network.
The derived iterative solver is then expressed as a fixed-point calculation problem within the Deep Equilibrium framework.
arXiv Detail & Related papers (2023-06-10T08:25:16Z) - Sharp Calibrated Gaussian Processes [58.94710279601622]
State-of-the-art approaches for designing calibrated models rely on inflating the Gaussian process posterior variance.
We present a calibration approach that generates predictive quantiles using a computation inspired by the vanilla Gaussian process posterior variance.
Our approach is shown to yield a calibrated model under reasonable assumptions.
arXiv Detail & Related papers (2023-02-23T12:17:36Z) - Posterior temperature optimized Bayesian models for inverse problems in
medical imaging [59.82184400837329]
We present an unsupervised Bayesian approach to inverse problems in medical imaging using mean-field variational inference with a fully tempered posterior.
We show that an optimized posterior temperature leads to improved accuracy and uncertainty estimation.
Our source code is publicly available at calibrated.com/Cardio-AI/mfvi-dip-mia.
arXiv Detail & Related papers (2022-02-02T12:16:33Z)
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.