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Treelets--An adaptive multi-scale basis for sparse unordered data

Ann B. Lee, Boaz Nadler, Larry Wasserman

arXiv:0707.0481v3stat.ME

TL;DR

Noisy, high-dimensional data may be unordered and contain correlated groups that are difficult to capture with standard global representations. Treelets adaptively construct a multiscale basis and tree; the paper reports that their functions reflect localized structure and are stable to noise.

  • Problem

    The paper asks whether a simple method can capture localized structure at multiple scales in noisy, high-dimensional unordered data and improve inference when samples are small.

    Source: §1 · p. 2
  • Method

    Treelets use adaptive local rotations to construct a multiscale orthogonal basis together with a data-driven hierarchical tree.

    Source: §1 · p. 4
  • Results

    Treelet functions reflect localized data structure and are stable to noise, with dominant basis functions acting like indicators of groups of co-varying variables.

    Source: §1 · p. 5
  • Takeaways & Limitations

    The paired tree and basis provide coordinates whose functions encode data geometry and whose coefficients indicate coordinate importance.

    Source: §1 · p. 4

    Sample fluctuations can make the empirical treelet transformation differ substantially from the population transformation, though both may be reasonable under the stated conditions.

    Source: §3.1 · p. 11

Abstract

from arXiv · show

In many modern applications, including analysis of gene expression and text documents, the data are noisy, high-dimensional, and unordered--with no particular meaning to the given order of the variables. Yet, successful learning is often possible due to sparsity: the fact that the data are typically redundant with underlying structures that can be represented by only a few features. In this paper we present treelets--a novel construction of multi-scale bases that extends wavelets to nonsmooth signals. The method is fully adaptive, as it returns a hierarchical tree and an orthonormal basis which both reflect the internal structure of the data. Treelets are especially well-suited as a dimensionality reduction and feature selection tool prior to regression and classification, in situations where sample sizes are small and the data are sparse with unknown groupings of correlated or collinear variables. The method is also simple to implement and analyze theoretically. Here we describe a variety of situations where treelets perform better than principal component analysis, as well as some common variable selection and cluster averaging schemes. We illustrate treelets on a blocked covariance model and on several data sets (hyperspectral image data, DNA microarray data, and internet advertisements) with highly complex dependencies between variables.

1. Introduction.

High-dimensional data can be noisy and unordered, yet often contain redundant structure representable with few features. Treelets adaptively construct a multiscale basis and hierarchy to reveal that structure and support regression and classification.

  • High-dimensional data may be noisy and unordered, while sparsity can arise when redundant variables reflect a few underlying features.The paper distinguishes this data-structure sparsity from sparsity in learning parameters or covariance quantities.Source: §1 · p. 2
  • PCA uses a global representation that can obscure localized groups, while standard wavelets assume smoothness and are not suited to unordered data.Reordering variables before applying fixed wavelets has also been proposed.Source: §1 · pp. 3–4
  • Treelets adaptively build a multiscale orthogonal basis and hierarchical tree for variables in any order.The method targets data representation and dimensionality reduction before learning in large-p, small-n settings.Source: §1 · p. 4
  • The basis functions encode data geometry, while their expansion coefficients indicate coordinate importance.The simultaneous basis and tree construction is the approach's stated novelty.Source: §1 · pp. 4–5
  • Treelets are designed to reflect localized structure and remain stable to noise; correlated groups can yield sparse bases with dominant functions acting like group indicators.For more complex structure, the loadings can instead be continuous-valued; discriminant functions may compute differences between variable groups.Source: §1 · p. 5

2. The treelet transform.

Treelets combine a hierarchical tree with a multiscale orthonormal basis. Their algorithm repeatedly groups similar variables and applies local two-variable PCA rotations.

2. The treelet transform.

  • Treelets construct both variable groupings and functions on a hierarchical tree, yielding scaling functions on nested subspaces and orthogonal detail functions on residual spaces.The resulting decomposition is technically not a wavelet transform.Source: §2 · p. 6
  • The similarity between variables is measured using correlation, with other similarity measures also possible.Options include absolute correlation or a weighted combination of absolute correlation and covariance.Source: §2 · p. 6

2.1. The algorithm: Jacobi rotations on pairs of similar variables.

  • At each level, the algorithm groups the most similar variables and replaces them with a coarse sum and a residual difference computed by local two-dimensional PCA.Difference variables are retained, while only sum variables are processed at higher levels.Source: §2.1 · p. 6

1. Find the two most similar sum variables according to the similarity matrix ˆ M (ℓ−1).

At each level, the algorithm selects a pair among the sum variables using the similarity matrix; difference variables are not processed further.

  • The pair search is restricted to sum variables, leaving difference variables out of subsequent processing.Source: §1 · p. 7

2. Perform a local PCA on this pair.

The selected pair is transformed by a Jacobi rotation that decorrelates its coordinates and updates the basis and transformed data.

  • A Jacobi rotation chooses an angle that decorrelates the selected pair, then updates the covariance, basis, coordinates, and similarity matrix.The rotation angle is constrained to |θℓ| ≤ π/4.Source: §2 · p. 7

3. Multi-resolution analysis.

Treelets build an orthonormal multi-scale representation through local rotations of similar variables, yielding coarse sums and detail differences. A best K-basis can be selected by how much normalized energy its K coordinates capture.

3. Multi-resolution analysis.

  • A treelet basis is built by repeatedly rotating the two most similar sum variables into sum and difference coordinates, producing scaling and detail projections.The sums give a coarse-grained representation; the differences capture residuals at different scales.Source: §3 · pp. 7–8
  • With stored similarity matrices and tracked local updates, treelet computation costs m + O(Lp), comparable to hierarchical clustering.A naive exhaustive pair search costs m + O(Lp^2), where m is the sample-covariance computation cost.Source: §3 · p. 8
  • The default tree has maximum height L = p − 1; shorter levels retain coarse sums for clusters and differences for finer detail.Alternative stopping rules include a similarity threshold or cluster-homogeneity tests.Source: §2.2 · pp. 8–9

2.2. Selecting the height L of the tree and a “best K-basis.”

  • For a chosen dimension K, the best K-basis is the treelet basis whose K highest-energy coordinates maximize explained variance.Cross-validation estimates the score on independent test sets to avoid overfitting.Source: §2.2 · p. 9
  • The energy score can be replaced by criteria suited to the task, including discriminant scores, classification error, entropy, or sparsity measures.For classification, the paper proposes a discriminant score measuring how well a coordinate separates classes.Source: §2.2 · p. 10

3. Theory.

The theory analyzes treelets’ large-sample behavior and their recovery of structured groupings. Under stated conditions, the analysis gives a logarithmic sample-size consistency bound and characterizes how block structure and sampling variability affect the resulting transforms.

3.1. Large sample properties of the treelet transform.

  • A bootstrap procedure can quantify treelet stability, with the stated confidence-set result applying when the distribution has finite fourth moments and p is fixed.The paper also states large-sample assumptions on finite variance and dimension growth, including bounded variables, multivariate normality, or a moment condition.Source: §3 · p. 10, §3.1 · pp. 10–11
  • Correlation-based treelet transforms need not converge to the transform of the population covariance: sample fluctuations can select different rotations, which the authors regard as reasonable alternatives.Near-tied correlations between pairs with different covariance submatrices illustrate this instability.Source: §3.1 · pp. 10–11

3.2.1. An exact analysis in the limit n →∞.

  • For statistically indistinguishable variables, treelets produce scaling functions constant on groups, including an indicator-like function for a full block; this relies on adaptive bases and tree structure.The paper contrasts this with fixed wavelets on data-driven trees [Murtagh (2007)] and adaptive bases on fixed trees [Coifman and Saito (1996)].Source: §3.2.1 · p. 12
  • Uncorrelated additive noise may alter grouping order without changing the lemma’s asymptotic results; after correct coarse variables form, the transform has a denoising effect.The analysis treats within-block correlations at singleton merges as a worst case.Source: §3.2.1 · pp. 12, 14
  • With weak between-block correlations and sufficiently small noise, the K maximum-variance scaling functions are constant on their respective blocks.In a full decomposition, block-constant scaling and detail functions reflect between-block structure, while the earlier detail coefficients reflect only noise; energy distribution can identify K without a parameter choice.Source: §3.2.1 · pp. 13–14

3.2.2. Convergence rates.

  • Treelets are consistent for finding variable groupings when n ≫ O(log p), compared with PCA consistency only when p/n → 0, or n ≫ O(p) [Johnstone and Lu (2008)].The comparison is for the stated block covariance setting; the cited sparse-covariance result assumes an a priori variable ordering, whereas treelets find an ordering and coordinate system.Source: §3.2.2 · pp. 15–16

4. Treelets and a linear error-in-variables mixture model.

The section studies treelets for linear-mixture data, first recovering latent structure and then compressing predictors for regression in high-dimensional, small-sample settings.

4.1. Treelets and a linear mixture model in the unsupervised setting.

  • With uncorrelated factors, nonoverlapping loading vectors, and strong signals, PCA and treelets both recover the hidden vectors as sample size tends to infinity.The treelet height is chosen by cross-validation and a normalized energy criterion.Source: §4.1 · p. 17
  • For consistency in the joint large-p, large-n limit, PCA requires p(n)/n → 0, whereas treelets require log p(n)/n → 0.The stated treelet condition requires asymptotically fewer observations than PCA's condition.Source: §4.1 · pp. 17–18
  • With correlated factors and nonoverlapping loadings, PCA struggles to recover localized structure, while treelets identify the components and hidden loading vectors without prior block-size information or tuning.The three maximum-energy treelets correspond exactly to the hidden loading vectors in the example.Source: §4.1 · pp. 18–19, Figure 2 · p. 19
  • In a small-sample, noisy example with overlapping loading vectors, treelets remain stable and largely identify the data's internal structure, with leading treelets approximating the loading-vector span.The example has n = 100 observations, p = 500 variables, and noise variance comparable to factor variances.Source: §4.1 · pp. 20–21
  • The energy distribution of a full treelet decomposition offers a parameter-free way to estimate the number of blocks, and treelets can reveal block structure amid many background-noise variables.In the overlapping-loading example, cross-validation indicated a tree height of L = 300.Source: §4.1 · p. 20

4.2. The treelet transform as a feature selection scheme prior to regression.

  • A useful dimensionality reduction should preserve the net analyte signal while representing data with far fewer features; treelets are proposed for unstructured data.Wavelets are described as a reasonable choice when signals are known a priori to be smooth.Source: §4.2 · p. 23
  • MSEP was 0.035 for PLS on 50 highest-variance treelet features, versus 0.17 for PLS on all variables, 0.09 for supervised variable-selection PLS, and 0.030 on true-vector projections.The treelet-feature result is described as near optimal.Source: Figure 4 · p. 24, §4.2 · pp. 24–25

5. Examples.

Treelets build an adaptive hierarchical tree and localized orthogonal basis for data with complex dependencies; the examples show applications to tissue spectra, advertisements, and leukemia classification. Their localized representations also support dimensionality reduction and reveal structure in genes and samples.

5.1. Hyperspectral analysis and classification of biomedical tissue.

  • In the tissue example, treelet basis vectors were localized on nested clusters, whereas PCA eigenvectors involved all original spectral variables.The treelet basis and tree were learned through successive Jacobi rotations.Source: §5.1 · p. 25, Figure 6 · p. 27
  • Three treelet features matched the classifier’s performance on all 28 spectral components, and using more features lowered the misclassification rate.The authors attribute the improvement to denoising through a changed coordinate system and discarding irrelevant coordinates.Source: §5.1 · p. 26

5.2. A classification example with an internet advertisement data set.

  • Treelets exposed correlated advertisement-variable groups, compressed 1,555 binary variables to 760 without information loss, and further improved prediction on the reduced data.The remaining variables included more than 200 pairs with correlation above 0.95; Table 1 reports classification test errors.Source: §5.2 · pp. 28–29, Table 1 · p. 28

5.3. Classification and analysis of DNA microarray data.

  • Treelets also provide a hierarchical reordering and an orthogonal representation for exploring, interpreting, and compressing microarray data.The method returns orthogonal functions carrying continuous-valued information about hierarchical groupings of genes or samples.Source: §5.3 · pp. 30, 32
  • For two-way decomposition of genes and samples, ten-fold cross-validation yielded 0/38 misclassified cases at K = 4 treelet features, followed by 1/34 test errors; LDA had 2/38 at K = 3 and 3/34 test errors.Source: Figure 9 · p. 31
  • For leukemia data, treelet loadings reflected complex structure and coarse-grained variables represented groups of highly correlated genes or samples.The highest-energy treelets on ordered samples included a continuous-valued indicator of the true classes.Source: Figure 10 · p. 31, §5.3 · p. 32

APPENDIX

The appendix introduces notation for a random vector, its covariance, and sample estimates.

APPENDIX

  • x denotes a p-dimensional random vector with distribution F and covariance matrix Σ = Σ_F.Source: §A.1 · p. 33
  • The sample x_1,...,x_n has sample covariance matrix ˆΣ and sample correlations ˆρ_ij.Source: §A.1 · p. 33
  • S_p denotes the set of all p × p covariance matrices.Source: §A.1 · p. 33

A.1. Proof of Theorem 1.

The proof establishes exponential bounds under stated assumptions and defines the one-step treelet operator through correlation-based pair selection and rotation.

A.1. Proof of Theorem 1.

  • Any one of assumptions (A1a), (A1b), or (A1c) suffices for the stated exponential inequalities.Source: §A.1 · p. 33
  • Under (A1), the proof obtains a covariance-estimation bound using exponential inequalities and a union bound, then selects a logarithmic-rate sequence under (A2).The proof sets ǫ_n = K√(log n/n) for sufficiently large K.Source: §A.1 · p. 33
  • For correlation concentration, the stated conditions are multivariate normality or bounded coordinates with variances bounded away from zero.The proof applies a bounded, smooth correlation function to the covariance bound.Source: §A.1 · p. 33
  • The operator selects a pair with maximum correlation and applies a Jacobi rotation; ties make the selection and one-step map multivalued.Source: §A.1 · p. 34

Proof of Theorem 1.

The proof controls sample-covariance deviation and uses it to place the sample treelet operator’s output within the population operator’s neighborhood.

Proof of Theorem 1.

  • The sample covariance matrix is within δ_n of Σ in the infinity norm except on an event whose probability tends to zero at rate O(n^-(K-2c)).Source: Proof of Theorem 1 · p. 34
  • When the sample covariance is within the stated neighborhood, the sample one-step operator output belongs to T_n(Σ).Source: Proof of Theorem 1 · p. 34
  • The proof applies the same neighborhood argument at each step of the treelet procedure.Source: Proof of Theorem 1 · p. 34

A.2. Proof of Lemma 1.

The proof analyzes treelet merges of summed variables using covariance submatrices, then bounds correlations to show when block structure is preserved.

A.2. Proof of Lemma 1.

  • At each level, the lemma considers combining sum variables over disjoint index subsets and applies PCA to their covariance submatrix, which has eigenvalues m+n and 0.Source: §A.2 · pp. 34–35

A.3. Proof of Theorem 2.

  • The within-block correlation bound is weakest when two singletons are merged, while the proof also bounds between-block correlations.Source: §A.3 · pp. 35–36
  • Under inequality (13), variables from different blocks are not combined through levels ℓ=1,...,p−K, and the treelet coefficients retain their stated general form.Source: §A.3 · p. 36
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