Papers
Topics
Authors
Recent
Gemini 2.5 Flash
Gemini 2.5 Flash
119 tokens/sec
GPT-4o
56 tokens/sec
Gemini 2.5 Pro Pro
43 tokens/sec
o3 Pro
6 tokens/sec
GPT-4.1 Pro
47 tokens/sec
DeepSeek R1 via Azure Pro
28 tokens/sec
2000 character limit reached

Multi-fidelity Gaussian process surrogate modeling for regression problems in physics (2404.11965v2)

Published 18 Apr 2024 in stat.ML, cs.LG, and physics.data-an

Abstract: One of the main challenges in surrogate modeling is the limited availability of data due to resource constraints associated with computationally expensive simulations. Multi-fidelity methods provide a solution by chaining models in a hierarchy with increasing fidelity, associated with lower error, but increasing cost. In this paper, we compare different multi-fidelity methods employed in constructing Gaussian process surrogates for regression. Non-linear autoregressive methods in the existing literature are primarily confined to two-fidelity models, and we extend these methods to handle more than two levels of fidelity. Additionally, we propose enhancements for an existing method incorporating delay terms by introducing a structured kernel. We demonstrate the performance of these methods across various academic and real-world scenarios. Our findings reveal that multi-fidelity methods generally have a smaller prediction error for the same computational cost as compared to the single-fidelity method, although their effectiveness varies across different scenarios.

Definition Search Book Streamline Icon: https://streamlinehq.com
References (67)
  1. Surrogate-model-based design and optimization. Springer, 2020.
  2. Surrogate model-based optimization framework: a case study in aerospace design. Evolutionary computation in dynamic and uncertain environments, pages 323–342, 2007.
  3. Recent advances in surrogate modeling methods for uncertainty quantification and propagation. Symmetry, 14(6):1219, 2022.
  4. Nonintrusive uncertainty analysis of fluid-structure interaction with spatially adaptive sparse grids and polynomial chaos expansion. SIAM Journal on Scientific Computing, 40(2):B457–B482, 2018.
  5. A review on design of experiments and surrogate models in aircraft real-time and many-query aerodynamic analyses. Progress in aerospace sciences, 96:23–61, 2018.
  6. Physics-aware machine learning surrogates for real-time manufacturing digital twin. Manufacturing Letters, 34:71–74, 2022.
  7. Survey of multifidelity methods in uncertainty propagation, inference, and optimization. Siam Review, 60(3):550–591, 2018.
  8. Michael B Giles. Multilevel monte carlo methods. Acta numerica, 24:259–328, 2015.
  9. Leo Wai-Tsun Ng and Michael Eldred. Multifidelity uncertainty quantification using non-intrusive polynomial chaos and stochastic collocation. In 53rd aiaa/asme/asce/ahs/asc structures, structural dynamics and materials conference 20th aiaa/asme/ahs adaptive structures conference 14th aiaa, page 1852, 2012.
  10. Context-aware learning of hierarchies of low-fidelity models for multi-fidelity uncertainty quantification. Computer Methods in Applied Mechanics and Engineering, 406:115908, 2023.
  11. Optimized multifidelity machine learning for quantum chemistry. Machine Learning: Science and Technology, 2023.
  12. Multi-fidelity no-u-turn sampling. arXiv preprint arXiv:2310.02703, 2023.
  13. Multilevel delayed acceptance mcmc. SIAM/ASA Journal on Uncertainty Quantification, 11(1):1–30, 2023.
  14. Multifidelity approximate bayesian computation. SIAM/ASA Journal on Uncertainty Quantification, 8(1):114–138, 2020.
  15. Multi-fidelity constrained optimization for stochastic black box simulators. arXiv preprint arXiv:2311.15137, 2023.
  16. Leveraging trust for joint multi-objective and multi-fidelity optimization. Technical report.
  17. High-dimensional multi-fidelity bayesian optimization for quantum control. Machine Learning: Science and Technology, 4(4):045014, 2023.
  18. Overview of collaborative multi-fidelity multidisciplinary design optimization activities in the dlr project victoria. In AIAA Aviation Forum 2020, editor, AIAA Aviation 2020 Forum, June 2020.
  19. Sensitivity-based multifidelity multidisciplinary optimization of a powered aircraft subject to a comprehensive set of loads. In AIAA Aviation 2020 Forum, June 2020.
  20. Multi-fidelity aerodynamic design process for moveables at dlr virtual product house. In AIAA, editor, AIAA Aviation 2022 Forum. American Institute of Aeronautics and Astronautics, Inc., June 2022. Video Presentation: https://doi.org/10.2514/6.2022-3938.vid.
  21. Gaussian processes for machine learning, volume 2. MIT press Cambridge, MA, 2006.
  22. Predicting the output from a complex computer code when fast approximations are available. Biometrika, 87(1):1–13, 2000.
  23. Loic Le Gratiet. Multi-fidelity Gaussian process regression for computer experiments. PhD thesis, Université Paris-Diderot-Paris VII, 2013.
  24. Linking gaussian process regression with data-driven manifold embeddings for nonlinear data fusion. Interface focus, 9(3):20180083, 2019.
  25. Nonlinear information fusion algorithms for data-efficient multi-fidelity modelling. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 473(2198):20160751, 2017.
  26. Deep gaussian processes for multi-fidelity modeling. arXiv preprint arXiv:1903.07320, 2019.
  27. Daniel G Krige. A statistical approach to some basic mine valuation problems on the witwatersrand. Journal of the Southern African Institute of Mining and Metallurgy, 52(6):119–139, 1951.
  28. An introduction to kernel-based learning algorithms. In Handbook of neural network signal processing, pages 4–1. CRC Press, 2018.
  29. Kernel flows: From learning kernels from data into the abyss. Journal of Computational Physics, 389:22–47, 2019.
  30. Automated kernel search for gaussian processes on data streams. In 2021 IEEE International Conference on Big Data (Big Data), pages 3584–3588. IEEE, 2021.
  31. Structure discovery in nonparametric regression through compositional kernel search. In International Conference on Machine Learning, pages 1166–1174. PMLR, 2013.
  32. Surrogates for hierarchical search spaces: The wedge-kernel and an automated analysis. In Proceedings of the genetic and evolutionary computation conference, pages 916–924, 2019.
  33. On the limited memory bfgs method for large scale optimization. Mathematical programming, 45(1):503–528, 1989.
  34. Gaussian process uniform error bounds with unknown hyperparameters for safety-critical applications. In International Conference on Machine Learning, pages 2609–2624. PMLR, 2022.
  35. Sharp calibrated gaussian processes. arXiv preprint arXiv:2302.11961, 2023.
  36. Parametric and multivariate uncertainty calibration for regression and object detection. In European Conference on Computer Vision, pages 426–442. Springer, 2022.
  37. Distribution calibration for regression. In International Conference on Machine Learning, pages 5897–5906. PMLR, 2019.
  38. Accurate uncertainties for deep learning using calibrated regression. In International conference on machine learning, pages 2796–2804. PMLR, 2018.
  39. Evaluating and calibrating uncertainty prediction in regression tasks. Sensors, 22(15):5540, 2022.
  40. The frontier of simulation-based inference. Proceedings of the National Academy of Sciences, 117(48):30055–30062, 2020.
  41. Deep gaussian processes. In Artificial intelligence and statistics, pages 207–215. PMLR, 2013.
  42. Bayesian gaussian process latent variable model. In Proceedings of the thirteenth international conference on artificial intelligence and statistics, pages 844–851. JMLR Workshop and Conference Proceedings, 2010.
  43. Predictive low-rank decomposition for kernel methods. In Proceedings of the 22nd international conference on Machine learning, pages 33–40, 2005.
  44. Understanding probabilistic sparse gaussian process approximations. Advances in neural information processing systems, 29, 2016.
  45. A unifying view of sparse approximate gaussian process regression. The Journal of Machine Learning Research, 6:1939–1959, 2005.
  46. Rates of convergence for sparse variational gaussian process regression. In International Conference on Machine Learning, pages 862–871. PMLR, 2019.
  47. Doubly stochastic variational inference for deep gaussian processes. Advances in neural information processing systems, 30, 2017.
  48. An informational approach to the global optimization of expensive-to-evaluate functions. Journal of Global Optimization, 44:509–534, 2009.
  49. Daniel Busby. Hierarchical adaptive experimental design for gaussian process emulators. Reliability Engineering & System Safety, 94(7):1183–1193, 2009.
  50. Gaussian process based expected information gain computation for bayesian optimal design. Entropy, 22(2):258, 2020.
  51. A quantitative description of membrane current and its application to conduction and excitation in nerve. The Journal of physiology, 117(4):500, 1952.
  52. Mieczyslaw Gregory Bekker. Introduction to terrain-vehicle systems. part i: The terrain. part ii: The vehicle. 1969.
  53. Fabian Buse. Development and Validation of a Deformable Soft Soil Contact Model for Dynamic Rover Simulations. PhD thesis, Tohoku University, 2022.
  54. Multi-fidelity machine learning modeling for wheel locomotion. In 11th Asia-Pacific Regional Conference of the International society for terrain-vehicle systems, ISTVS 2022. ISTVS, 2022.
  55. Stefan Barthelmes. Terra: Terramechanics for real-time application. In 5th Joint International Conference on Multibody System Dynamics, June 2018.
  56. The dlr terramechanics robotics locomotion lab. In International Symposium on Artificial Intelligence, Robotics and Automation in Space, June 2018.
  57. Mmx rover simulation-robotic simulations for phobos operations. In 2022 IEEE Aerospace Conference (AERO), pages 1–14. IEEE, 2022.
  58. Toolchain for a mobile robot applied on the dlr scout rover. In 2022 IEEE Aerospace Conference (AERO), pages 1–15. IEEE, 2022.
  59. Fast calibrated additive quantile regression. Journal of the American Statistical Association, 116(535):1402–1412, 2021.
  60. Quality of uncertainty quantification for bayesian neural network inference. arXiv preprint arXiv:1906.09686, 2019.
  61. Jana Huhne. Uncertainty quantification for gaussian processes. 2023.
  62. Gregorij V Pereverzev and PN Yushmanov. Astra. automated system for transport analysis in a tokamak. 2002.
  63. Novel free-boundary equilibrium and transport solver with theory-based models and its validation against asdex upgrade current ramp scenarios. Plasma Physics and Controlled Fusion, 55(12):124028, 2013.
  64. FL Hinton and Richard D Hazeltine. Theory of plasma transport in toroidal confinement systems. Reviews of Modern Physics, 48(2):239, 1976.
  65. Clarisse Bourdelle. Turbulent transport in tokamak plasmas: bridging theory and experiment. PhD thesis, Aix Marseille Université, 2015.
  66. Neural network surrogate of qualikiz using jet experimental data to populate training space. Physics of Plasmas, 28(3), 2021.
  67. Fast modeling of turbulent transport in fusion plasmas using neural networks. Physics of Plasmas, 27(2), 2020.
User Edit Pencil Streamline Icon: https://streamlinehq.com
Authors (7)
  1. Kislaya Ravi (3 papers)
  2. Vladyslav Fediukov (1 paper)
  3. Felix Dietrich (46 papers)
  4. Tobias Neckel (8 papers)
  5. Fabian Buse (2 papers)
  6. Michael Bergmann (4 papers)
  7. Hans-Joachim Bungartz (24 papers)
Citations (4)

Summary

We haven't generated a summary for this paper yet.