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Learning Distributions on Manifolds with Free-Form Flows

Published 15 Dec 2023 in cs.LG and stat.ML | (2312.09852v3)

Abstract: We propose Manifold Free-Form Flows (M-FFF), a simple new generative model for data on manifolds. The existing approaches to learning a distribution on arbitrary manifolds are expensive at inference time, since sampling requires solving a differential equation. Our method overcomes this limitation by sampling in a single function evaluation. The key innovation is to optimize a neural network via maximum likelihood on the manifold, possible by adapting the free-form flow framework to Riemannian manifolds. M-FFF is straightforwardly adapted to any manifold with a known projection. It consistently matches or outperforms previous single-step methods specialized to specific manifolds. It is typically two orders of magnitude faster than multi-step methods based on diffusion or flow matching, achieving better likelihoods in several experiments. We provide our code at https://github.com/vislearn/FFF.

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References (47)
  1. Matching normalizing flows and probability paths on manifolds. In International Conference on Machine Learning, pages 1749–1763. PMLR, 2022.
  2. Latent variable modelling with hyperbolic normalizing flows. In International Conference on Machine Learning, pages 1045–1055. PMLR, 2020.
  3. Sampling using SU⁢(n)SU𝑛\mathrm{SU}(n)roman_SU ( italic_n ) gauge equivariant flows. Phys. Rev. D, 103:074504, 2021.
  4. G Brakenridge. Global active archive of large flood events. http://floodobservatory.colorado.edu/Archives/index.html, 2017.
  5. Manifold density estimation via generalized dequantization. arXiv preprint arXiv:2102.07143, 2021.
  6. Language models are few-shot learners. Advances in neural information processing systems, 33:1877–1901, 2020.
  7. The power spherical distribution, 2020.
  8. Riemannian flow matching on general geometries. arXiv preprint arXiv:2302.03660, 2023.
  9. Hyperspherical variational auto-encoders. 34th Conference on Uncertainty in Artificial Intelligence (UAI-18), 2018.
  10. Riemannian score-based generative modelling. Advances in Neural Information Processing Systems, 35:2406–2422, 2022.
  11. Free-form flows: Make any architecture a normalizing flow. arXiv preprint arXiv:2310.16624, 2023.
  12. EOSDIS. Land, atmosphere near real-time capability for eos (lance) system operated by nasa’s earth science data and information system (esdis). https://earthdata.nasa.gov/earth-observation-data/near-real-time/firms/active-fire-data, 2020.
  13. William Falcon and The PyTorch Lightning team. PyTorch lightning, 2019.
  14. Luca Falorsi. Continuous normalizing flows on manifolds. arXiv preprint arXiv:2104.14959, 2021.
  15. Neural ordinary differential equations on manifolds. arXiv preprint arXiv:2006.06663, 2020.
  16. Reparameterizing distributions on lie groups. In The 22nd International Conference on Artificial Intelligence and Statistics, pages 3244–3253. PMLR, 2019.
  17. Normalizing flows on riemannian manifolds. arXiv preprint arXiv:1611.02304, 2016.
  18. A Girard. A fast ‘Monte-Carlo cross-validation’ procedure for large least squares problems with noisy data. Numerische Mathematik, 56:1–23, 1989.
  19. Array programming with NumPy. Nature, 585(7825):357–362, 2020.
  20. Riemannian diffusion models. Advances in Neural Information Processing Systems, 35:2750–2761, 2022.
  21. J. D. Hunter. Matplotlib: A 2D graphics environment. Computing in Science & Engineering, 9(3):90–95, 2007.
  22. Jürgen Jost. Riemannian geometry and geometric analysis. Springer, 2008.
  23. Density estimation on smooth manifolds with normalizing flows. arXiv preprint arXiv:2106.03500, 2021.
  24. Equivariant flow-based sampling for lattice gauge theory. Physical Review Letters, 125(12), 2020.
  25. Lightning trainable, 2023.
  26. A purely algebraic justification of the kabsch-umeyama algorithm. Journal of research of the National Institute of Standards and Technology, 124:1, 2019.
  27. Delving into discrete normalizing flows on so (3) manifold for probabilistic rotation modeling. In Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition, pages 21264–21273, 2023.
  28. Neural manifold ordinary differential equations. Advances in Neural Information Processing Systems, 33:17548–17558, 2020.
  29. Structure validation by cα𝛼\alphaitalic_α geometry: ϕitalic-ϕ\phiitalic_ϕ,ψ𝜓\psiitalic_ψ and cβ𝛽\betaitalic_β deviation. Proteins: Structure, Function, and Bioinformatics, 50(3):437–450, 2003.
  30. Riemannian continuous normalizing flows. Advances in Neural Information Processing Systems, 33:2503–2515, 2020.
  31. Wes McKinney. Data Structures for Statistical Computing in Python. In 9th Python in Science Conference, 2010.
  32. Geomstats: A python package for riemannian geometry in machine learning. Journal of Machine Learning Research, 21(223):1–9, 2020.
  33. geomstats/geomstats: Geomstats v2.7.0, 2023.
  34. Implicit-pdf: Non-parametric representation of probability distributions on the rotation manifold. In International Conference on Machine Learning, pages 7882–7893. PMLR, 2021.
  35. Rna backbone is rotameric. Proceedings of the National Academy of Sciences of the United States of America, 100:13904–9, 2003.
  36. John Nash. The imbedding problem for riemannian manifolds. Annals of mathematics, 63(1):20–63, 1956.
  37. National Geophysical Data Center / World Data Service (NGDC/WDS). Ncei/wds global significant earthquake database. https://www.ncei.noaa.gov/access/metadata/landing-page/bin/iso?id=gov.noaa.ngdc.mgg.hazards:G012153, 2022a.
  38. National Geophysical Data Center / World Data Service (NGDC/WDS). Ncei/wds global significant volcanic eruptions database. https://www.ncei.noaa.gov/access/metadata/landing-page/bin/iso?id=gov.noaa.ngdc.mgg.hazards:G10147, 2022b.
  39. Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning. Science, 365(6457):eaaw1147, 2019.
  40. Pytorch: An imperative style, high-performance deep learning library. Advances in neural information processing systems, 32, 2019.
  41. Fitting mixtures of kent distributions to aid in joint set identification. Journal of the American Statistical Association, 96(453):56–63, 2001.
  42. Stereochemistry of polypeptide chain configurations. Journal of Molecular Biology, 7(1):95–99, 1963.
  43. Normalizing flows on tori and spheres. In International Conference on Machine Learning, pages 8083–8092. PMLR, 2020.
  44. High-resolution image synthesis with latent diffusion models. In Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition, pages 10684–10695, 2022.
  45. Moser flow: Divergence-based generative modeling on manifolds. Advances in Neural Information Processing Systems, 34:17669–17680, 2021.
  46. Lifting architectural constraints of injective flows. arXiv:2306.01843, 2023.
  47. The pandas development team. Pandas-dev/pandas: Pandas, 2020.
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