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Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems: Hybrids Rosemary Renaut Colorado State Fort Collins July 8, 2009 National Science Foundation: Division of Computational Mathematics 1 / 18

Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

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Page 1: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Statistical Regularization Approaches forLinear/Nonlinear Inverse Problems: Hybrids

Rosemary Renaut

Colorado State Fort Collins

July 8, 2009

National Science Foundation: Division of Computational Mathematics 1 / 18

Page 2: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Least Squares for Ax = b: A Quick Review

Consider discrete systems: A ∈ Rm×n, b ∈ Rm, x ∈ Rn

Ax = b + e,

Classical Approach Linear Least Squares (A full rank)

xLS = arg minx||Ax− b||22

Difficulty xLS sensitive to changes in right hand side b when A isill-conditioned.

Regularization is used

National Science Foundation: Division of Computational Mathematics 2 / 18

Page 3: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Example Signal Restoration

(a) Original (b) Noisy

(c) Unregularized (d) Regularized

National Science Foundation: Division of Computational Mathematics 3 / 18

Page 4: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Introduce Generalized Tikhonov Regularization

Weighted Fidelity with Regularization

xRLS(λ) = arg minx{‖b− Ax‖2

Wb+ λ2‖D(x− x0)‖2},

Weighting matrix Wb

D is a suitable operator, often derivative approximation.

Assume N (A) ∩N (D) = {0}x0 is a reference solution, often x0 = 0.

• λ is a regularization parameter which is unknown.

Solution xRLS(λ) depends on λ, D and Wb

Having found λ posterior inverse covariance matrix is

W̃x = ATWbA + λ2I

National Science Foundation: Division of Computational Mathematics 4 / 18

Page 5: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Choice of λ crucial

Different algorithms yield different solutions.

Discrepancy Principle

L-Curve

Generalized Cross Validation (GCV)

Unbiased Predictive Risk (UPRE)

χ2 Method

Residual Periodogram and related approaches (O’Leary et al)

National Science Foundation: Division of Computational Mathematics 5 / 18

Page 6: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Some standard approaches I: L-curve - Find the corner

Let r(λ) = (A(λ)− A)b:Influence MatrixA(λ) = A(ATWbA+λ2DTD)−1AT

Plot

log(‖Dx‖), log(‖r(λ)‖)

Trade off contributions.

Expensive - requires range of λ.

GSVD makes calculationsefficient.

Not statistically based

Find corner

No cornerNational Science Foundation: Division of Computational Mathematics 6 / 18

Page 7: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Generalized Cross-Validation (GCV)

LetA(λ) = A(ATWbA+λ2DTD)−1AT

Can pick Wb = I.

Minimize GCV function

‖b− Ax(λ)‖2Wb

[trace(Im − A(λ))]2,

which estimates predictive risk.

Expensive - requires range of λ.

GSVD makes calculationsefficient.

Requires minimum

Multiple minima

Sometimes flat

National Science Foundation: Division of Computational Mathematics 7 / 18

Page 8: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Unbiased Predictive Risk Estimation (UPRE)

Minimize expected value ofpredictive risk: Minimize UPREfunction

‖b− Ax(λ)‖2Wb

+2 trace(A(λ))− m

Expensive - requires range of λ.

GSVD makes calculationsefficient.

Need estimate of traceMinimum needed

National Science Foundation: Division of Computational Mathematics 8 / 18

Page 9: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

phillips Fredholm integral equation (Hansen)

1 Add noise to b2 Standard deviation σbi = .01|bi|+ .1bmax

3 Covariance matrix Cb = σ2bIm

4 σ2b average of σ2

bi

5 Uncertainty estimates shown

National Science Foundation: Division of Computational Mathematics 9 / 18

Page 10: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

phillips Fredholm integral equation (Hansen)

Comparison

National Science Foundation: Division of Computational Mathematics 10 / 18

Page 11: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Solutions with Uncertainty

(e) L-curve Solution (f) GCV Solution

(g) UPRE Solution (h) χ2 curve SolutionNational Science Foundation: Division of Computational Mathematics 11 / 18

Page 12: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

The Discrepancy Principle

Suppose noise is white: Cb = σ2bI.

Find λ such that the regularized residual satisfies

σ2b =

1m‖b− Ax(λ)‖2

2. (1)

Can be implemented by a Newton root finding algorithm.

But discrepancy principle typically oversmooths.

National Science Foundation: Division of Computational Mathematics 12 / 18

Page 13: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

The χ2 Method

Solve for χ2 Distribution

‖b− Ax(λ)‖2Wb

+λ2‖D(x− x0)‖2 = m

Newton root finding -efficient

Small Problems use GSVD

Estimate of average x0

Noise Distribution Wb needed

But extends for x0 not known.The χ2 curve

Monotonic - fast convergence

National Science Foundation: Division of Computational Mathematics 13 / 18

Page 14: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Relation Discrepancy and χ2

χ2 Method:

‖b− Ax(λ)‖2Wb

+ λ2‖D(x− x0)‖2 = m

Discrepancym = ‖b− Ax(λ)‖2

Wb.

Both are quick for given A - use a Newton algorithm and converge in fewiterations.

National Science Foundation: Division of Computational Mathematics 14 / 18

Page 15: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Large Scale Problems

Solve global problem using LSQR algorithm: use only A and AT .

Projects problem to a small subproblem

Hybrids solve the regularization on projected problem.Definition of the regularization on projected problem - careful -

Nagy needs a weighted GCV.χ2 number of degrees of freedom is reduced.

Approach is viable

National Science Foundation: Division of Computational Mathematics 15 / 18

Page 16: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Observations

1 χ2 principle is similar in spirit to discrepancy2 Can be used for large scale problems3 Uses statistical information on errors in right hand side4 Finds solution efficiently5 May be used to provide uncertainty estimates.6 Remember it uses a weighted norm.

National Science Foundation: Division of Computational Mathematics 16 / 18

Page 17: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

Nonlinear Least Squares for inverse problems- well-known

Solve for parameters q which are potentially defined by solution of a pdeNonlinear least squares for residual vector R(q)

qopt =12

arg minq

R(q)2 = arg min f (q)

Basic damped Gauss Newton algorithm

q(k+1) = q(k) + δp(k+1)

where δ is line search and p is a search directionp solves for Jacobian system

J(q)p ≈ −∇R(q)

But Jacobian is usually ill-conditioned - Levenberg Marquardt -introduce regularizationTypical approaches use Morozov discrepancy principle for estimate ofacceptable solution

National Science Foundation: Division of Computational Mathematics 17 / 18

Page 18: Statistical Regularization Approaches for Linear/Nonlinear ...rosie/mypresentations/fortcollins.pdf · Statistical Regularization Approaches for Linear/Nonlinear Inverse Problems:

For Discussion

Suggest using LSQR with χ2 principle. - replace discrepancy

Solve on projected problem. Projected problem has to be updated eachouter iteration.

Cost of finding projected problem though is cheap.

Size of projected problem is generally small.

Provides alternative to trust region based approaches.

Can still introduce sufficient decrease conditions.

Use weighted norm based on errors in estimates.

National Science Foundation: Division of Computational Mathematics 18 / 18