Taming Score-Based Diffusion Priors for Infinite-Dimensional Nonlinear Inverse Problems (2405.15676v1)
Abstract: This work introduces a sampling method capable of solving Bayesian inverse problems in function space. It does not assume the log-concavity of the likelihood, meaning that it is compatible with nonlinear inverse problems. The method leverages the recently defined infinite-dimensional score-based diffusion models as a learning-based prior, while enabling provable posterior sampling through a Langevin-type MCMC algorithm defined on function spaces. A novel convergence analysis is conducted, inspired by the fixed-point methods established for traditional regularization-by-denoising algorithms and compatible with weighted annealing. The obtained convergence bound explicitly depends on the approximation error of the score; a well-approximated score is essential to obtain a well-approximated posterior. Stylized and PDE-based examples are provided, demonstrating the validity of our convergence analysis. We conclude by presenting a discussion of the method's challenges related to learning the score and computational complexity.
- A. Tarantola. Inverse problem theory and methods for model parameter estimation. SIAM, 2005.
- J. Hadamard. Lectures on Cauchy’s problem in linear partial differential equations. Courier Corporation, 2003.
- Linear inverse problems for generalised random variables. Inverse Problems, 5(4):599, 1989.
- A. M. Stuart. Uncertainty quantification in bayesian inversion. ICM2014. Invited Lecture, 1279, 2014.
- A. M. Stuart. Inverse problems: a bayesian perspective. Acta numerica, 19:451–559, 2010.
- Bayesian inverse problems with gaussian priors. 2011.
- Uncertainty quantification and weak approximation of an elliptic inverse problem. SIAM Journal on Numerical Analysis, 49(6):2524–2542, 2011.
- Deep unsupervised learning using nonequilibrium thermodynamics. In International conference on machine learning, pages 2256–2265. PMLR, 2015.
- Denoising diffusion probabilistic models. Advances in neural information processing systems, 33:6840–6851, 2020.
- Diffusion models beat gans on image synthesis. Advances in neural information processing systems, 34:8780–8794, 2021.
- Photorealistic text-to-image diffusion models with deep language understanding. Advances in neural information processing systems, 35:36479–36494, 2022.
- Video diffusion models. Advances in Neural Information Processing Systems, 35:8633–8646, 2022.
- Diffusion probabilistic modeling for video generation. Entropy, 25(10):1469, 2023a.
- Geodiff: A geometric diffusion model for molecular conformation generation. arXiv preprint arXiv:2203.02923, 2022.
- Diffusion models: A comprehensive survey of methods and applications. ACM Computing Surveys, 56(4):1–39, 2023b.
- Score-based generative modeling through stochastic differential equations. arXiv preprint arXiv:2011.13456, 2020.
- B. D. Anderson. Reverse-time diffusion equation models. Stochastic Processes and their Applications, 12(3):313–326, 1982.
- P. Vincent. A connection between score matching and denoising autoencoders. Neural computation, 23(7):1661–1674, 2011.
- Generative modeling by estimating gradients of the data distribution. Advances in neural information processing systems, 32, 2019.
- Improved techniques for training score-based generative models. Advances in neural information processing systems, 33:12438–12448, 2020.
- Solving inverse problems in medical imaging with score-based generative models. arXiv preprint arXiv:2111.08005, 2021.
- Score-based diffusion models as principled priors for inverse imaging. In Proceedings of the IEEE/CVF International Conference on Computer Vision, pages 10520–10531, 2023.
- Diffusion posterior sampling for general noisy inverse problems. arXiv preprint arXiv:2209.14687, 2022.
- Pseudoinverse-guided diffusion models for inverse problems. In International Conference on Learning Representations, 2022.
- Efficient bayesian computational imaging with a surrogate score-based prior. arXiv preprint arXiv:2309.01949, 2023.
- Conditional image generation with score-based diffusion models. arXiv preprint arXiv:2111.13606, 2021.
- Robust compressed sensing mri with deep generative priors. Advances in Neural Information Processing Systems, 34:14938–14954, 2021.
- Provably robust score-based diffusion posterior sampling for plug-and-play image reconstruction. arXiv preprint arXiv:2403.17042, 2024.
- Snips: Solving noisy inverse problems stochastically. Advances in Neural Information Processing Systems, 34:21757–21769, 2021.
- Provable probabilistic imaging using score-based generative priors. arXiv preprint arXiv:2310.10835, 2023.
- The inverse problem for the local geodesic ray transform. Inventiones mathematicae, 205(1):83–120, 2016.
- A. Dynin. Inversion problem for singular integral operators: C*-approach. Proceedings of the National Academy of Sciences, 75(10):4668–4670, 1978.
- Generative modeling with denoising auto-encoders and langevin sampling. arXiv preprint arXiv:2002.00107, 2020.
- Sampling is as easy as learning the score: theory for diffusion models with minimal data assumptions. arXiv preprint arXiv:2209.11215, 2022.
- Time reversal of infinite-dimensional diffusions. Stochastic processes and their applications, 22(1):59–77, 1986.
- Time reversal for infinite-dimensional diffusions. Probability theory and related fields, 82(3):315–347, 1989.
- G. Da Prato. An introduction to infinite-dimensional analysis. Springer Science & Business Media, 2006.
- Stochastic equations in infinite dimensions. Cambridge university press, 2014.
- Diffusion generative models in infinite dimensions. arXiv preprint arXiv:2212.00886, 2022.
- Score-based diffusion models in function space. arXiv preprint arXiv:2302.07400, 2023.
- Continuous-time functional diffusion processes. Advances in Neural Information Processing Systems, 36, 2024.
- Infinite-dimensional diffusion models for function spaces. arXiv preprint arXiv:2302.10130, 2023.
- Multilevel diffusion: Infinite dimensional score-based diffusion models for image generation. arXiv preprint arXiv:2303.04772, 2023.
- ∞\infty∞-diff: Infinite resolution diffusion with subsampled mollified states. arXiv preprint arXiv:2303.18242, 2023.
- Score-based generative modeling through stochastic evolution equations in hilbert spaces. Advances in Neural Information Processing Systems, 36, 2024.
- Conditional score-based diffusion models for bayesian inference in infinite dimensions. Advances in Neural Information Processing Systems, 36, 2024.
- Conditional optimal transport on function spaces. arXiv preprint arXiv:2311.05672, 2023.
- A. P. Calderón. On an inverse boundary value problem. Computational & Applied Mathematics, 25:133–138, 2006.
- L. Borcea. Electrical impedance tomography. Inverse problems, 18(6):R99, 2002.
- G. Uhlmann. Electrical impedance tomography and calderón’s problem. Inverse problems, 25(12):123011, 2009.
- Data assimilation. Cham, Switzerland: Springer, 214:52, 2015.
- Multi-source quantitative photoacoustic tomography in a diffusive regime. Inverse Problems, 27(7):075003, 2011.
- Inverse diffusion theory of photoacoustics. Inverse Problems, 26(8):085010, 2010.
- Inverse boundary spectral problems. Chapman and Hall/CRC, 2001.
- Exponential convergence of langevin distributions and their discrete approximations. Bernoulli, pages 341–363, 1996.
- Optimization by simulated annealing. science, 220(4598):671–680, 1983.
- R. M. Neal. Annealed importance sampling. Statistics and computing, 11:125–139, 2001.
- Geometric mcmc for infinite-dimensional inverse problems. Journal of Computational Physics, 335:327–351, 2017.
- Infinite dimensional adaptive mcmc for gaussian processes. arXiv preprint arXiv:1804.04859, 2018.
- High-dimensional bayesian inference via the unadjusted langevin algorithm. 2019.
- Nonasymptotic convergence analysis for the unadjusted langevin algorithm. 2017.
- A. S. Dalalyan. Theoretical guarantees for approximate sampling from smooth and log-concave densities. Journal of the Royal Statistical Society Series B: Statistical Methodology, 79(3):651–676, 2017.
- Spectral gaps for a metropolis–hastings algorithm in infinite dimensions. 2014.
- Mcmc methods for functions: modifying old algorithms to make them faster. 2013.
- Dimension-independent likelihood-informed mcmc. Journal of Computational Physics, 304:109–137, 2016.
- Multilevel dimension-independent likelihood-informed mcmc for large-scale inverse problems. Inverse Problems, 40(3):035005, 2024.
- Multilevel sequential monte carlo with dimension-independent likelihood-informed proposals. SIAM/ASA Journal on Uncertainty Quantification, 6(2):762–786, 2018.
- Localization for mcmc: sampling high-dimensional posterior distributions with local structure. Journal of Computational Physics, 380:1–28, 2019.
- Dimension-free convergence rates for gradient langevin dynamics in rkhs. In Conference on Learning Theory, pages 1356–1420. PMLR, 2022.
- Mcmc methods for diffusion bridges. Stochastics and Dynamics, 8(03):319–350, 2008.
- Regularization by denoising: Clarifications and new interpretations. IEEE transactions on computational imaging, 5(1):52–67, 2018.
- The little engine that could: Regularization by denoising (red). SIAM Journal on Imaging Sciences, 10(4):1804–1844, 2017.
- Plug-and-play unplugged: Optimization-free reconstruction using consensus equilibrium. SIAM Journal on Imaging Sciences, 11(3):2001–2020, 2018.
- Plug-and-play priors for model based reconstruction. In 2013 IEEE global conference on signal and information processing, pages 945–948. IEEE, 2013.
- What regularized auto-encoders learn from the data-generating distribution. The Journal of Machine Learning Research, 15(1):3563–3593, 2014.
- Agem: Solving linear inverse problems via deep priors and sampling. Advances in Neural Information Processing Systems, 32, 2019.
- Stochastic solutions for linear inverse problems using the prior implicit in a denoiser. Advances in Neural Information Processing Systems, 34:13242–13254, 2021.
- Bayesian imaging using plug & play priors: when langevin meets tweedie. SIAM Journal on Imaging Sciences, 15(2):701–737, 2022.
- On polynomial-time computation of high-dimensional posterior measures by langevin-type algorithms. Journal of the European Mathematical Society, 2022.
- Bernstein–von mises theorems for statistical inverse problems ii: Compound poisson processes. 2019.
- R. Nickl. Bernstein–von mises theorems for statistical inverse problems i: Schrödinger equation. Journal of the European Mathematical Society, 22(8):2697–2750, 2020.
- K. Abraham. Nonparametric bayesian posterior contraction rates for scalar diffusions with high-frequency data. 2019.
- Consistency of the bayes method for the inverse scattering problem. Inverse Problems, 40(5):055001, 2024.
- Consistency of bayesian inference with gaussian process priors in an elliptic inverse problem. Inverse Problems, 36(8):085001, 2020.
- On log-concave approximations of high-dimensional posterior measures and stability properties in non-linear inverse problems. arXiv preprint arXiv:2105.07835, 2021.
- The attenuated ray transform for connections and higgs fields. Geometric and functional analysis, 22(5):1460–1489, 2012.
- Consistent inversion of noisy non-abelian x-ray transforms. Communications on Pure and Applied Mathematics, 74(5):1045–1099, 2021a.
- Diffusion coefficients estimation for elliptic partial differential equations. SIAM Journal on Mathematical Analysis, 49(2):1570–1592, 2017.
- On some information-theoretic aspects of non-linear statistical inverse problems. 2021.
- R. Vershynin. High-dimensional probability: An introduction with applications in data science, volume 47. Cambridge university press, 2018.
- Convergence rates for penalized least squares estimators in pde constrained regression problems. SIAM/ASA Journal on Uncertainty Quantification, 8(1):374–413, 2020.
- Nonparametric bayesian posterior contraction rates for discretely observed scalar diffusions. 2017.
- Statistical guarantees for bayesian uncertainty quantification in nonlinear inverse problems with gaussian process priors. The Annals of Statistics, 49(6):3255–3298, 2021b.
- V. Spokoiny. Bayesian inference for nonlinear inverse problems. arXiv preprint arXiv:1912.12694, 2019.
- R. Nickl. Bayesian non-linear statistical inverse problems. EMS press, 2023.
- Diffusion schrödinger bridge with applications to score-based generative modeling. Advances in Neural Information Processing Systems, 34:17695–17709, 2021.
- A fast iterative shrinkage-thresholding algorithm for linear inverse problems. SIAM journal on imaging sciences, 2(1):183–202, 2009a.
- Distributed optimization and statistical learning via the alternating direction method of multipliers. Foundations and Trends® in Machine learning, 3(1):1–122, 2011.
- Fast gradient-based algorithms for constrained total variation image denoising and deblurring problems. IEEE transactions on image processing, 18(11):2419–2434, 2009b.
- Gradient flows: in metric spaces and in the space of probability measures. Springer Science & Business Media, 2005.
- Soft truncation: A universal training technique of score-based diffusion model for high precision score estimation. In International Conference on Machine Learning, pages 11201–11228. PMLR, 2022.
- Preconditioned Stochastic Gradient Langevin Dynamics for Deep Neural Networks. In Proceedings of the Thirtieth AAAI Conference on Artificial Intelligence, pages 1788–1794, 2016.
- Devito (V3.1.0): An embedded domain-specific language for finite differences and geophysical exploration. Geoscientific Model Development, 12(3):1165–1187, 2019.
- Architecture and performance of Devito, a system for automated stencil computation. ACM Transactions on Mathematical Software, 46(1), 2020.
- An n-dimensional Rosenbrock distribution for Markov chain Monte Carlo testing. Scandinavian Journal of Statistics, 49(2):657–680, 2022.
- Building Complex Synthetic Models to Evaluate Acquisition Geometries and Velocity Inversion Technologies. In 74th EAGE Conference and Exhibition. Extended Abstracts, 2012.
- A. Tarantola. Inversion of seismic reflection data in the acoustic approximation. Geophysics, 49(8):1259–1266, 1984.
- An overview of full-waveform inversion in exploration geophysics. Geophysics, 74(6):WCC1–WCC26, 2009.
- Iterative asymptotic inversion in the acoustic approximation. Geophysics, 57(9):1138–1154, 1992.
- Least-squares migration of incomplete reflection data. Geophysics, 64(1):208–221, 1999.
- Constraints versus penalties for edge-preserving full-waveform inversion. The Leading Edge, 36(1):94–100, 2017.
- Nonlinear total variation based noise removal algorithms. Physica D: Nonlinear Phenomena, 60(1):259–268, 1992.
- Consistency and fluctuations for stochastic gradient Langevin dynamics. The Journal of Machine Learning Research, 17(1):193–225, 2016.
- Bayesian learning via stochastic gradient Langevin dynamics. In Proceedings of the 28th International Conference on Machine Learning, pages 681–688, 2011.
- Towards a theory of non-log-concave sampling: first-order stationarity guarantees for langevin monte carlo. In Conference on Learning Theory, pages 2896–2923. PMLR, 2022.
- Rapid convergence of the unadjusted langevin algorithm: Isoperimetry suffices. Advances in neural information processing systems, 32, 2019.