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Multidimensional scaling

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1 Multidimensional scaling
© Alexander & Michael Bronstein, © Michael Bronstein, 2010 tosca.cs.technion.ac.il/book Advanced topics in vision Processing and Analysis of Geometric Shapes EE Technion, Spring 2010 1

2 If it doesn’t fit, you must acquit!
Image: Associated Press

3 Metric model Shape = metric space Similarity = isometry w.r.t.
EXTRINSIC GEOMETRY Euclidean metric Invariant to rigid motion Extrinsic geometry is not invariant under inelastic deformations

4 Similarity = isometry w.r.t.
Metric model Shape = metric space Similarity = isometry w.r.t. EXTRINSIC GEOMETRY INTRINSIC GEOMETRY Euclidean metric Invariant to rigid motion Geodesic metric Invariant to inelastic deformation

5 in a common metric space
Intrinsic vs. extrinsic similarity EXTRINSIC SIMILARITY INTRINSIC SIMILARITY Part of the same metric space Two different metric spaces SOLUTION: Find a representation of and in a common metric space

6 Canonical forms Isometric embedding

7 ? Canonical form distance INTRINSIC SIMILARITY Compute canonical forms
EXTRINSIC SIMILARITY OF CANONICAL FORMS = INTRINSIC SIMILARITY

8 Mapmaker’s problem ?

9 Mapmaker’s problem A sphere has non-zero curvature, therefore, it is not isometric to the plane (a consequence of Theorema egregium) Karl Friedrich Gauss ( )

10 Conclusion: generally, isometric embedding does not exist!
Linial’s example A A 1 1 C D 2 A C D 1 B C A 1 1 C D B B 2 C D D 1 1 B Conclusion: generally, isometric embedding does not exist! No contradiction to Nash embedding theorem: Nash guarantees that any Riemannian structure can be realized as a length metric induced by Euclidean metric. We try to realize it using restricted Euclidean metric

11 Minimum distortion embedding

12 Multidimensional scaling
Find an embedding into that distorts the distances the least by solving the optimization problem where are the coordinates of the canonical form The function measuring the distortion of distances is called stress The problem is called multidimensional scaling (MDS)

13 Stress The stress is a function of the canonical form coordinates and the distances L2-stress Lp-stress L-stress (distortion)

14 Matrix expression of L2-stress
Some notation: - an matrix of canonical form coordinates (each row corresponds to a point) Shorthand notation for Euclidean distances Write the stress as 1 2

15 Term 1

16 Term 1 Matrices commute under trace operator
where is and matrix with elements

17 Term 2 For and zero otherwise

18 Term 2 where is and matrix-valued function with elements

19 LS-MDS Minimization of L2-stress is called least squares MDS (LS-MDS)
variables Non-linear Non-convex (thus liable to local convergence) Optimum defined up to Euclidean transformation

20 Gradient of L2-stress Quadratic in Nonlinear in Constant in
Recall exercise in optimization

21 Complexity Stress computation complexity:
Stress gradient computation complexity: Steepest descent with line search may be prohibitively expensive (requires multiple evaluations of the stress and the gradient)

22 Observation By Cauchy-Schwarz inequality for all and
Equality is achieved for Write it differently:

23 Observation Consider the nonlinear term in the stress

24 Majorizing inequality
Equality is achieved for [de Leeuw, 1977] We have a quadratic majorizing function to use in iterative majorization algorithm! Jan de Leeuw

25 Iterative majorization
Construct a majorizing function satisfying . Majorizing inequality: for all is convex

26 Iterative majorization
Start with some Find such that Update iterate Increment iteration counter Solution Until convergence

27 Analytic expression for
Iterative majorization The majorizing function is quadratic! Analytic expression for the minimim Analytic expression for pseudoinverse:

28 SMACOF algorithm Start with some Update iterate
Increment iteration counter Solution Until convergence The algorithm is called SMACOF (Scaling by Minimizing A COnvex Function)

29 SMACOF algorithm vs steepest descent
SMACOF is a constant-step gradient descent! Majorization guarantees monotonically decreasing sequence of stress values (untypical behavior for constant-step steepest descent) No guarantee of global convergence Iteration cost:

30 MATLAB® intermezzo SMACOF algorithm Canonical forms

31 Near-isometric deformations of a shape
Examples of canonical forms Near-isometric deformations of a shape Canonical forms

32 Visualization of intrinsic similarity
Examples of canonical forms Visualization of intrinsic similarity

33 Weighted stress where are some fixed weights Matrix expression
where is and matrix with elements SMACOF algorithm can be used to minimize weighted stress!

34 Variations on the stress theme
Generic form of the stress where is some norm For example, gives the Lp-stress The necessary condition for to be the minimizer of is

35 Variations on the stress theme
Idea: minimize weighted stress instead of the generic stress and choose the weights such that the two are equivalent If the weights are selected as the minimizers of and will coincide Since is unknown in advance, iterate!

36 Iteratively reweighted LS
Start with some and Find using as an initialization Update weights Increment iteration counter Until convergence The algorithm is called Iteratively Reweighted Least Squares (IRLS)

37 L-stress Optimization problem
can be written equivalently as a constrained problem is called an artificial variable

38 Complexity, bis MDS N=1000 points x5 less points x25 lower complexity

39 Multiresolution MDS Bottom-up approach: solve coarse level MDS problem to initialize fine level problem Reduce complexity (less fine-level iterations) Reduce the risk of local convergence (good initialization) Can be performed on multiple resolution levels

40 Solve coarse level problem
Two-resolution MDS Grid Data Interpolation operator to transfer solution from coarse level to fine level Can be represented as an sparse matrix Solve fine level problem Interpolate Solve coarse level problem

41 Solve -st level problem Solve coarsest level problem
Multiresolution MDS Solve finest level problem Interpolate Solve st level problem Interpolate Solve coarsest level problem

42 Multiresolution MDS algorithm
Hierarchy of grids Hierarchy of data Interpolation operators Start with coarsest-level initialization Solve the l-th level MDS problem using as initialization Interpolate to next level For Solve finest level problem using as initialization

43 Top-down approach Start with a fine-level initialization
Decimate fine-level initialization to the coarse grid Solve the coarse-level MDS problem using as initialization Improve the fine-level solution propagating the coarse-level error Typically

44 A problem Fine level Coarse level

45 Correction The fine- and the coarse-level minimizers do not coincide!
is called a residual Force consistency of the coarse- and fine-level problems by introducing a correction term into the stress which gives the gradient

46 Correction Fine level Coarse level

47 Correction In order to guarantee consistency, must satisfy at
Chain rule which gives the correction term Verify: is the minimizer of coarse-level problem with correction,

48 Modified stress Another problem: the coarse grid problem
Can grow arbitrarily is unbounded for Fix the translation ambiguity by adding a quadratic penalty to the stress is called the modified stress [Bronstein et al., 05] The modified coarse grid problem is bounded

49 Solve corrected coarse level problem
Two-grid MDS Iteratively improve the fine-level solution using coarse grid residual External iteration is called cycle Correct fine level solution Decimate Interpolate Solve corrected coarse level problem

50 Solve corrected coarse level problem
Two-grid MDS Perform a few optimization iterations at fine level between cycles (relaxation) Correct fine level solution Relax Decimate Interpolate Solve corrected coarse level problem

51 Two-grid MDS algorithm
Start with fine-level initialization Produce an improved fine-level solution by making a few iterations on initialized with Decimate fine-level solution Correction: Solve the coarse-level corrected MDS problem using as initialization Transfer residual: Update iterate Solution Until convergence

52 Solve coarsest level problem
Multigrid MDS Apply the two-grid algorithm recursively Different cycles possible, e.g. V-cycle Relax Relax Decimate Interpolate correct Relax Relax Decimate Interpolate correct Solve coarsest level problem

53 MATLAB® intermezzo Multigrid MDS

54 Convergence of SMACOF and Multigrid MDS (N=2145)
Convergence example Stress Time (sec) Convergence of SMACOF and Multigrid MDS (N=2145)

55 How to accelerate convergence?
Let be a sequence of iterates produced by some optimization algorithms converging to Denote by the remainder Construct a new sequence converging faster to in the sense

56 Vector extrapolation Construct the new sequence as a transformation of iterates Particular choice: linear combination Question: how to choose the coefficients ? Ideally, hence

57 Reduced rank extrapolation (RRE)
Problem: depends on unknown Eliminate this dependence by considering the difference which ideally should vanish. Result: solve the constrained linear system of equations in variables Typically hence the system is over-determined and must be solved approximately using least-squares

58 Optimization with vector extrapolation
Start with some and Generate iterates using optimization on initialized by Extrapolate from Update Increment iteration counter Until convergence

59 Safeguarded optimization with vector extrapolation
Start with some and Generate iterates using optimization on initialized by Extrapolate from If else Increment iteration counter Until convergence

60 MATLAB® intermezzo RRE MDS


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