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Week 13 Summary: Physics-informed and constrained ML

Cross-Book Summary

1. Physics-Informed Neural Networks (PINNs)

  • Embedding Laws: Enforce ODEs/PDEs via the loss function for physical consistency.
  • Automatic Differentiation: Exact derivative calculations enable NNs to evaluate physical equations.
  • Boundary Conditions: Methods like Lagaris substitution guarantee boundary compliance.

2. Governing Equation Discovery

  • Dictionary-Based Regression: Build a dictionary of candidate math functions.
  • Sparse Identification: Use regularized regression (Lasso) to discover physical laws from noisy data.
  • Dimensional Reasoning: Unit analysis ensures physically plausible discoveries.

3. Constraints in Materials Science

  • Monotonicity: Enforce required physical trends (e.g., hardness vs. alloying).
  • Hybrid Modeling: Combine physical "White-Box" models with data-driven "Black-Boxes" (Grey-Box).

90-Minute Lecture Strategy

Part 1: Why Physics Matters

  • Limits of unconstrained Black-Box models.
  • Accurate but Physical models.
  • PINNs need less data.

Part 2: Automatic Differentiation

  • GradientTape mechanics.
  • Derivatives as ML architecture components.

Part 3: Solving Physics with NNs

  • PINN Architectures: Data Loss + Physics Loss.
  • Enforcing Boundary Conditions.
  • 3D printing heat transfer case study.

Part 4: Equation Discovery

  • Sparse Regression and candidate dictionaries.
  • Damped pendulum equation case study.
  • Unit Analysis search pruning.

Part 5: The Grey-Box Future

  • Hybrid architectures vs. FEA.
  • Building industrial trust.

Quarto Website Update (Summary)

Summary for ML-PC Week 13:

  • Combines neural networks with physical laws via Physics-Informed ML.
  • Introduces PINNs and automatic differentiation.
  • Details Governing Equation Discovery using sparse regression.
  • Applies physical constraints to build data-efficient Grey-Box models.