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Preface

Table of Contents

Observation Data

Abstractions

Problem Formulations

Discretizations

Interpolation

Non-Parametric Interpolators

Coordinate-Based Parametric Interpolators

Field-Based Parametric Interpolators

Parametric Dynamical Models

X-Casting

Operator Learning


Extended Table of Contents

Observation Data

  • Geoscience Data Anatomy - Spatiotemporal Field + Coordinates + Domain
  • Data Types Whirlwind - L2, L3, L4, L5
  • Missingness Characterization - MAR, MNAR, MCAR
  • Case Study
    • Remote Sensing —> LST/SST
    • AlongTrack —> SSH

Abstractions

  • Geoscience Objectives - Estimation, Learning
  • Geoscience Tasks - Interpolation, Extrapolation, Variable Transformation
    • Extrapolation - Data Drift, Distribution Shift, Bad Generalization
    • Interpolation - Missingness
    • Variable Transformation - Multivariate, High Correlation
  • Operator Learning - A Space, Time, Quantity & Shape Perspective
  • Quadrant of Things That Can Go Wrong - Measurements, Shape, Model, Solution Procedure
  • An Abstraction of Designing Models for Learning - A Hierarchical Sequence of Decisions
  • Data-Driven Model Elements w/ PGMs - Measurements, State, QoI, Latent Variable
  • Bayesian Modeling - Data Likelihood, Prior, Posterior, Marginal Likelihood
  • ML Algorithm Abstractions - DataModule, Model, Criteria, Optimizer, Learner
  • Software - Hardware Agnostic Tensor Library, AutoDiff, Deep Learning, PPL

Problem Formulations

The overview can be viewed through the lens of operator learning.

f:{x:Ωx×Tx}×Θ{u:Ωu×Tu}\boldsymbol{f}: \left\{ \boldsymbol{x}:\boldsymbol{\Omega}_x\times\mathcal{T}_x \right\} \times \boldsymbol{\Theta}\rightarrow \left\{\boldsymbol{u}:\boldsymbol{\Omega}_u\times\mathcal{T}_u \right\}
  • Interpolation
  • Extrapolation
  • Variable Transformation

Discretization

To go from observations to models, we almost always need to have some sort of structure. We will look at the tried and true classic of the discretization methods: histogram binning. We will also look at some extra things we can do when creating histograms like defining specifying the binning from prior knowledge. We will also look at more adaptive binning methods for more irregular structures.

  • Histogram Formulation (TODO)
  • Equidistant Binning 4 Cartesian Grids (TODO)
  • Adaptive Binning 4 Rectilinear & Curvilinear Grids (TODO)
  • Graph-Node Binning (TODO)

Nonparametric Interpolation

In this section, we will look at some of the staple methods for nonparametric interpolation. We will outline each

  • Naive Whirlwind Tour with applications for Data Assimilation
  • Nearest Neighbours
    • K-NN
    • Weighted Distances
    • Scaling the Algorithm - KDTree + BallTree
    • Scaling the hardware - parallelization, GPU hardware
  • Kernel Density Estimation
    • KDE
    • FFT for Equidistant Grids
    • scaling the hardware - GPU hardware
    • Regression
  • Gaussian Processes
    • Appendix: Playing with All things Gaussian
    • Spatial Autocorrelation with (Semi-)Variograms
    • 3 Views of GPs
    • GP with Numpyro
    • Scaling - Kernel Approximations
    • Scaling - Inducing Points
    • Scaling -
    • Appendix GPs in practice
      • From Scratch
      • With TinyGP & GPJax
      • With PPL Numpyro
      • Customizing the Numpyro Implementation
      • Distances
      • Kernel Matrices
      • Kernel Matrix Derivatives
  • Improved Gaussian Processes
    • Moment-Based
      • Sparse GPs
      • SVGPs
      • Structured GPs
      • Deep Kernel Learning
    • Basis Functions
      • Fourier Features GP
      • Spherical Harmonics GP
      • Sparse Spherical Harmonics GPs

Coordinate-Based Parametric Interpolator

f:RDs×R+×RDθRDz\boldsymbol{f} : \mathbb{R}^{D_s}\times\mathbb{R}^+\times\mathbb{R}^{D_\theta}\rightarrow\mathbb{R}^{D_z}
  • Functa: A Physics-Informed Introduction
  • Why naive MLPs don’t work - FF, SIREN
  • Spatial Coordinate Encoders
  • Temporal Coordinate Encoders
  • PINNs
  • How to Train your Functa
  • Modulation
  • Scaling
    • Hashing

Field-Based Parametric Interpolators

f:RDΩ×R+×RDθRDΩ\boldsymbol{f} : \mathbb{R}^{D_\Omega}\times\mathbb{R}^+\times\mathbb{R}^{D_\theta}\rightarrow\mathbb{R}^{D_\Omega}
  • Interpolation Operator: A Physics-Informed Approach (Spatiotemporal Decomposition)
  • Abstraction: Amortization vs Objective-Based
  • Whirlwind Tour for 3 Architectures - CNNs, Transformers, Graphs
  • Convolutions
    • Explaining Convolutions via Finite Differences
    • More on Convolutions - FOV, Separable,
    • FFT Convolutions via Pseudospectral Methods
    • Missing Values & Masks
    • Partial Convolutions
  • Transformers
    • Attention is All You Need
    • Transformers & Kernels
    • Missing Data - Masked Transformers
  • Graphical Models
    • Graphs and Finite Element Methods
    • Missing Data
  • Dimension Reduction
    • Dimensionality Reduction - What is it and why we need it? (SWM vs Linear SWM vs ROM)
    • AutoEncoders I - PCA/EOF/SVD/POD
    • AutoEncoders II - CNNs
    • AutoEncoders III - Transformers (MAE)
    • AutoEncoders IV - Graphs
  • Multiscale
    • Introduction to Multiscale - Power Spectrum Approach
    • U-Net I - CNN
    • U-Net II - Transformers
    • U-Net III - Graphs
  • Objective-Based Approaches
    • Implicit Models I - Fixed Point/Root Finding
    • Implicit Models II - Argmin Differentiation
    • Implicit Models III - Deep Equilibrium Models
    • From Scratch
    • Packages - JaxOpt, optimistix
  • Conditional Generative Models
    • Latent Variable Models
    • Bijective Flows
    • Stochastic Flows
    • Surjective Flows
    • Stochastic Interpolants

Parametric Dynamical Models

f:RDΩ×R+×RDθRDΩ\boldsymbol{f} : \mathbb{R}^{D_\Omega}\times\mathbb{R}^+\times\mathbb{R}^{D_\theta}\rightarrow\mathbb{R}^{D_\Omega}
  • Operator Learning Revisited - Universal Differential Equations
  • Whirlwind Tour - Spatial Operators
  • Training
    • Experimental Setup - OSSE vs OSE
    • Online
    • Offline
  • Spatial Operators Deep Dive
    • Linear Spatial Operator & MLP
    • Convolutions
    • FFT Convolutions
    • Spectral Convolutions
    • Transformers
    • Graphical Models
  • Bayesian Filtering
    • State Space Models
    • Parameter & State Inference in SSMs
    • Linear Models + Exact Inference - KF
    • Non-Linear Model + “Exact” Inference - EKF, UKF, ADF
    • Whirlwind Tour of Deterministic Inference for SSMs
    • Amortized Variational Posteriors (Encoders)
    • Whirlwind Tour of Stochastic Inference for SSMs
  • Nonparametric Revisited
    • Markovian Gaussian Processes
    • Sparse Markovian Gaussian Processes
  • Latent Generative Dynamical Models
    • Latent State Space Models
    • Conjugate Transforms - Conditional Markov Flows
    • Stochastic Transform Filters
    • Observation Operator Encoders
    • Stochastic Differential Equations
    • Neural Stochastic Differential Equations