Uncertainty Quantification and Scientific Machine Learning for Complex Engineering Systems

By Guang Lin

Department of Mathematics, Purdue University, West Lafayette, IN

Published on

Abstract

Experience suggests that uncertainties often play an important role in quantifying the performance of complex systems. Therefore, uncertainty needs to be treated as a core element in the modeling, simulation, and optimization of complex systems. In this talk, I will first present a review of the novel UQ techniques I developed to conduct stochastic simulations for very large-scale complex systems. First, I will present how to employ deep neural network to build a Processing-Microstructure-Mechanical Properties Relationship. In particular, we will use a fibre-reinforced polymer composite material as an example on predicting stress field based on material?s microstructure and loading condition. In addition, a robust data-driven discovery of physical laws with confidence will be introduced. Discovering governing physical laws from noisy data is a grand challenge in many science and engineering research areas. I will present a new Bayesian approach to data-driven discovery of ODEs and PDEs. The new approach will be demonstrated through a wide range of problems, including Navier-Stokes equations. In addition, solving PDEs and predicting material fracture in a fundamentally different way will be discussed. I will present a new paradigm in solving linear and nonlinear PDEs on varied domains without the use of the classical numerical discretization. Instead, we infer the solution of PDEs using a convolutional neural network with quantified uncertainty. The proposed neural network can predict the solution and its uncertainty simultaneously on-the-fly. Finally, I will introduce a new convolutional neural network named Peri-Net we developed to predict and analyze fracture patterns on a disk in real time. I will present and validate the results using the molecular dynamic collision simulations.

Bio

Guang Lin Guang Lin received his M.S. and Ph.D. degrees in applied mathematics from Brown University. He was a Senior Research Scientist at Pacific Northwest National Laboratory from 2008 to 2014. He is currently Director of Data Science Consulting Service, Dean?s Fellow at College of Science, University Scholar, an Associate Professor at the Department of Mathematics, school of Mechanical Engineering, Department of Statistics (Courtesy), Department of Earth, Atmospheric, and Planetary Sciences (Courtesy) at Purdue University. He received NSF faculty early career development award (NSF, 2016), Mid-Career Sigma Xi Award, University Faculty Scholar award (Purdue, 2019), Mathematical Biosciences Institute Early Career Award (MBI, 2015), Ronald L. Brodzinski Award for Early Career Exception Achievement, Department of Energy Pacific Northwest National Laboratory Early Career Award (PNNL, 2012), and Department of Energy Advanced Scientific Computing Research Leadership Computing Challenge award (DOE, 2010). He has had in-depth involvement in developing big data analysis, deep learning and uncertainty quantification tools for a large variety of domains including energy and environment. His research interests include diverse topics in computational science both on algorithms and applications, uncertainty quantification, large-scale data analysis, and multiscale modeling in a large variety of domains. Dr. Lin is currently Associate Editor of Society for Industrial and Applied Mathematics Multiscale Modeling and Simulations.

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Cite this work

Researchers should cite this work as follows:

  • Guang Lin (2020), "Uncertainty Quantification and Scientific Machine Learning for Complex Engineering Systems," https://nanohub.org/resources/32565.

    BibTex | EndNote

Time

Location

Room 2001, Birck Nanotechnology Center, Purdue University, West Lafayette, IN

Tags

Uncertainty Quantification and Scientific Machine Learning for Complex Engineering Systems
  • Uncertainty Quantification and Scientific Machine Learning for Complex Engineering Systems 1. Uncertainty Quantification and… 0
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  • Why Uncertainty Quantification? 2. Why Uncertainty Quantificatio… 19.61961961961962
    00:00/00:00
  • UQ for Decision Making: Hurricane Forecasting 3. UQ for Decision Making: Hurric… 67.567567567567565
    00:00/00:00
  • Sensitivity Analysis of Reaction Networks 4. Sensitivity Analysis of Reacti… 91.458124791458133
    00:00/00:00
  • Sensitivity Analysis of Reaction Networks 5. Sensitivity Analysis of Reacti… 164.46446446446447
    00:00/00:00
  • Deep Learning for Material Science 6. Deep Learning for Material Sci… 186.95362028695362
    00:00/00:00
  • Deep Learning for Material Science 7. Deep Learning for Material Sci… 228.52852852852854
    00:00/00:00
  • Results 8. Results 285.55221888555224
    00:00/00:00
  • Deep Learning for Material Science 9. Deep Learning for Material Sci… 308.80880880880881
    00:00/00:00
  • Outline: 10. Outline: 347.04704704704704
    00:00/00:00
  • Generalized Polynomial Chaos - gPC 11. Generalized Polynomial Chaos -… 402.4024024024024
    00:00/00:00
  • Implementation of gPC method 12. Implementation of gPC method 459.62629295962631
    00:00/00:00
  • Computational Speed-Up 13. Computational Speed-Up 463.63029696363031
    00:00/00:00
  • Advantage of gPC 14. Advantage of gPC 490.35702369035704
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  • Limitations of gPC 15. Limitations of gPC 514.014014014014
    00:00/00:00
  • Outline: 16. Outline: 553.1531531531532
    00:00/00:00
  • Open Issue 1: Parametric Discontinuities/Bifurcations 17. Open Issue 1: Parametric Disco… 558.15815815815813
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  • Outline: 18. Outline: 580.74741408074749
    00:00/00:00
  • Open Issue 2: Curse of Dimensionality 19. Open Issue 2: Curse of Dimensi… 589.05572238905575
    00:00/00:00
  • Compressive sensing for gPC expansion 20. Compressive sensing for gPC ex… 606.07273940607274
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  • Outline: 21. Outline: 618.81881881881884
    00:00/00:00
  • Uncertainty Quantification and Bayesian Parameter Estimation 22. Uncertainty Quantification and… 624.62462462462463
    00:00/00:00
  • Bayesian Parameter Estimation of Convection Scheme 23. Bayesian Parameter Estimation … 625.35869202535866
    00:00/00:00
  • Motivation on Parameter Tuning in Deep Convective Precipitation 24. Motivation on Parameter Tuning… 696.2962962962963
    00:00/00:00
  • Methodology: Selected 12 parameters in ZM scheme 25. Methodology: Selected 12 param… 715.68234901568235
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  • Bayesian Parameter Estimation of Deep Convection Scheme 26. Bayesian Parameter Estimation … 723.22322322322327
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  • Outline: 27. Outline: 741.40807474140809
    00:00/00:00
  • ConvPDE-UQ 28. ConvPDE-UQ 748.3483483483484
    00:00/00:00
  • Overview of Problem Setups 29. Overview of Problem Setups 780.28028028028029
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  • Network Architecture 30. Network Architecture 835.06840173506839
    00:00/00:00
  • Probabilistic Predictions 31. Probabilistic Predictions 903.57023690357028
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  • Numerical Results 32. Numerical Results 929.52952952952955
    00:00/00:00
  • Qualitative Results 33. Qualitative Results 968.6353019686353
    00:00/00:00
  • Peri-Net 34. Peri-Net 1070.437103770437
    00:00/00:00
  • Why do we need this study? 35. Why do we need this study? 1161.7951284617952
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  • What is the objective of this study? 36. What is the objective of this … 1174.3076409743078
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  • Set up for damage in LAMMPS (Forward problem) 37. Set up for damage in LAMMPS (F… 1226.1594928261595
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  • Architecture of CNN 38. Architecture of CNN 1254.3877210543878
    00:00/00:00
  • Result 39. Result 1265.7323990657324
    00:00/00:00
  • Getting Data (Forward problem) 40. Getting Data (Forward problem) 1349.6496496496497
    00:00/00:00
  • Set up for damage in LAMMPS (Forward problem) 41. Set up for damage in LAMMPS (F… 1352.952952952953
    00:00/00:00
  • Results 42. Results 1383.1164497831164
    00:00/00:00
  • Results 43. Results 1396.3963963963965
    00:00/00:00
  • Getting Data (Inverse problem) 44. Getting Data (Inverse problem) 1399.0990990990992
    00:00/00:00
  • Set up for damage in LAMMPS (Inverse problem) 45. Set up for damage in LAMMPS (I… 1402.0353687020354
    00:00/00:00
  • Architecture of CNN 46. Architecture of CNN 1419.285952619286
    00:00/00:00
  • Results 47. Results 1425.2585919252585
    00:00/00:00
  • Outline: 48. Outline: 1446.4464464464465
    00:00/00:00
  • Question 49. Question 1460.694027360694
    00:00/00:00
  • Motivation 50. Motivation 1472.0720720720722
    00:00/00:00
  • General version 51. General version 1480.3803803803805
    00:00/00:00
  • General version 52. General version 1551.6850183516851
    00:00/00:00
  • Navier-Stokes Equation 53. Navier-Stokes Equation 1580.3470136803471
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  • Untitled: Slide 54 54. Untitled: Slide 54 1595.528862195529
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  • Untitled: Slide 55 55. Untitled: Slide 55 1599.2992992992993
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  • Untitled: Slide 56 56. Untitled: Slide 56 1616.1494828161497
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  • Merits 57. Merits 1999.8998998999
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  • Outline: 58. Outline: 2043.4100767434102
    00:00/00:00
  • Data Science & Modeling Challenges in Mesoscale Science 59. Data Science & Modeling Challe… 2045.0784117450785
    00:00/00:00
  • Data-Driven Stochastic Multiscale Challenges in Mesoscale Science 60. Data-Driven Stochastic Multisc… 2070.4037370704036
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  • Data-Driven Stochastic Multiscale Challenges in Mesoscale Science 61. Data-Driven Stochastic Multisc… 2084.9516182849516
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  • Deep Learning with Collaborative Neural Network Groups 62. Deep Learning with Collaborati… 2103.7037037037039
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  • Outline: 63. Outline: 2142.0754087420755
    00:00/00:00
  • DATA SCIENCE CONSULTING SERVICE 64. DATA SCIENCE CONSULTING SERVIC… 2143.51017684351
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  • Mission Statement 65. Mission Statement 2146.9469469469468
    00:00/00:00
  • Data Science Consulting Expertise 66. Data Science Consulting Expert… 2188.7887887887887
    00:00/00:00
  • Case Studies 67. Case Studies 2202.6026026026025
    00:00/00:00
  • Case Study: Deep Learning for Electron Cryo-Microscopy (Cryo-EM) Images 68. Case Study: Deep Learning for … 2235.1685018351686
    00:00/00:00
  • Case Studies: Frequent Problems-Preferred Views 69. Case Studies: Frequent Problem… 2250.5171838505171
    00:00/00:00
  • Case Studies: Deep Generative Models 70. Case Studies: Deep Generative … 2273.0063396730066
    00:00/00:00
  • Case Studies: Deep Generative Models 71. Case Studies: Deep Generative … 2281.0143476810144
    00:00/00:00
  • Conclusion 72. Conclusion 2301.9352686019351
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