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Journal of Applied Statistics logoLink to Journal of Applied Statistics
. 2021 Feb 20;49(8):2052–2063. doi: 10.1080/02664763.2021.1889997

Bootstrap aggregated classification for sparse functional data

Hyunsung Kim 1, Yaeji Lim 1,CONTACT
PMCID: PMC9225643  PMID: 35757590

ABSTRACT

Sparse functional data are commonly observed in real-data analyzes. For such data, we propose a new classification method based on functional principal component analysis (FPCA) and bootstrap aggregating. Bootstrap aggregating is believed to improve the single classifier. In this paper, we apply this belief to an FPCA based classification, and compare the classification performance with that of the single classifiers. The simulation results show that the proposed method performs better than the conventional single classifiers. We then conduct two real-data analyzes.

Keywords: Functional data, functional principal component analysis, bootstrap aggregating, classification, sparse data

2010 Mathematics Subject Classification: 35Q62

1. Introduction

The development of measurement technology has enabled us to collect data in the form of curves or functions in many fields; these data are called functional or longitudinal data. We analyze such data through functional data analysis (FDA), a method used in various fields such as meteorology and health science.

In FDA, functional data are defined on infinite dimensions because they are considered to be curves or functions rather than single points, thus making dimensionality reduction a key issue. One powerful dimension reduction method in FDA is functional principal component analysis (FPCA) [18]. This method identifies the directions of variations and exploits the data-driven bases called functional principal component (FPC) scores. Since functional data are commonly observed at sparse or irregular time points in real-data analyzes, James et al. [8] proposed the FPCA method based on a reduced-rank mixed-effects framework for sparse functional data. More recently, Yao et al. [23] proposed a conditional estimation-based FPCA method for sparse data.

In this study, we too consider the FPCA method for sparse or irregularly observed functional data, but focus on the classification problem. While the FPCA has been commonly used for the classification problem in functional data, various other methods have also been proposed. James and Hastie [7] proposed a functional linear discriminant analysis (FLDA) for sparse functional data using an expectation-maximization (EM) algorithm. James [6] and Müller and Stadtmüller [13] extended the generalized linear model to a functional analog, while Leng and Müller [11] applied a functional logistic regression based on FPC scores to temporal gene expression data and compared the results with those of the B-spline basis method. Lee [10] presented a support vector machine (SVM) based on FPC scores, and Rossi and Villa [16] proposed a functional SVM (FSVM), extending the SVM to functional data. Song et al. [19] compared the classifiers based on FPC scores using linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), k-nearest neighbor (KNN) classifier, and SVM. More recently, Fan et al. [5] proposed a kernel-induced random forest for functional data classification and applied it to temporal gene expression data.

Unlike previous studies, we propose a new classification method for sparse functional data based on FPCA and bootstrap aggregating (bagging). Bagging is an ensemble method that enhances predictions by combining the classifiers from bootstrap samples [3]. Bauer and Kohavi [2] compared bagging, bagging variants, AdaBoost and Arc-x4 on the decision tree and naive Bayes classifiers using 14 large-scale data sets from UCI, while Kim et al. [9] proposed an SVM ensemble method with bagging or boosting to improve classification performance. Shinde et al. [17] applied bagging to the kernel principal component analysis to improve the preimage estimates.

By extending bagging to functional data, we construct a bagged classification model for sparse functional data, combining the classifiers based on FPC scores from bootstrap samples. Therefore, we contribute to the literature by improving the classification performance for sparse functional data and applying an ensemble technique to functional principal components-based classification models.

The rest of the paper is organized as follows. Section 2 reviews the FPCA method for sparse functional data, and Section 3 describes the proposed method. A simulation study is presented in Section 4, while two real-data cases are analyzed in Section 5. Finally, Section 6 concludes the paper.

2. FPCA for sparse functional data

FPCA is based on the Karhunen–Loève representation of a random function. Let X(t) for tT be a square integrable random process in L2(T) with mean function μ(t)=E[X(t)] and covariance function G(s,t)=cov[X(s),X(t)] for s,tT. By Mercer's theorem, the covariance function can be represented as

G(s,t)=k=1λkϕk(s)ϕk(t),

where λ1λ20 are nonnegative eigenvalues satisfying k=1λk<, and ϕk is the corresponding orthonormal eigenfunction. Then, given n random curves, X=[X1(t),,Xn(t)], the Karhunen–Loève expansion of Xi(t) can be represented as

Xi(t)=μ(t)+k=1ξikϕk(t),tT,

where ξik=T(Xi(t)μ(t))ϕk(t)dt are uncorrelated variables with mean 0 and variance λk, and the truncated approximation is written as

Xi(t)μ(t)+k=1Kξikϕk(t),tT,

where K is the number of basis functions. Here, K is often selected using the proportion of variance explained (PVE), but the Akaike information criterion (AIC) or Bayesian information criterion (BIC) can also be used for consistency [12,23].

However, when a curve is observed at sparse or irregular time points, we cannot directly apply a conventional FPCA to the data because computing the covariance function could be difficult and the estimated FPC scores could be biased. Therefore, James et al. [8] proposed a reduced-rank model based on mixed-effects model and estimated the FPC function and scores using an EM algorithm, and, more recently, Yao et al. [23] proposed the principal analysis by conditional expectation (PACE) method to obtain unbiased FPC scores. In this paper, we use the PACE method, explained in detail below.

Consider the ith curve Xi=(Xi(ti1),,Xi(tini))T with mean function μi=(μ(ti1),,μ(tini))T. Here, tijT is the jth time point observed in the ith curve Xi, for i=1,2,,n, and j=1,2,,ni. Furthermore, let Ui=(Ui(tin1),,Ui(tini))T be an observed ith curve with additional measurement errors, ϵi=(ϵi(ti1),,ϵi(tini))T. Then, we have

Ui(tij)=Xi(tij)+ϵi(tij)=μ(tij)+k=1ξikϕk(tij)+ϵi(tij),tijT, (1)

where ϵi(tij) is an independent and identically distributed (i.i.d.) error with mean zero and variance σ2; this is assumed to be independent of the functional principal component score, ξik, for i=1,2,,n, j=1,2,,ni, and k=1,2,.

Assuming that ξik and ϵi are jointly Gaussian, the best linear unbiased prediction (BLUP) of ξik can be computed as

ξ~ik=E[ξik|Ui]=λkϕikTΣUi1(Uiμi),

where ϕik=(ϕk(ti1),,ϕk(tini))T is the ith FPC function, and ΣUi=cov(Ui,Ui)=cov(Xi,Xi)+σ2Ini.

Then, trajectory Xi(t) can be predicted as

X^i(t)=μ^(t)+k=1Kξ^ikϕ^k(t), (2)

where ξ^ik, and ϕ^k(t) are estimations obtained from the entire data sample. The number of eigenfunctions, K, is determined using a cross-validation technique.

For more details about the PACE method, see Yao et al. [23].

3. Ensemble classification via FPCA

3.1. Classification based on FPC scores

Using the K FPC scores, ξ^ik, k=1,,K, in (2), we can construct classifiers based on logistic regression, SVM, LDA, QDA, or naive Bayes. Here, we briefly explain these classifiers that can be applied to FPC scores.

For a logistic regression model, we consider the functional generalized linear model (FGLM) [6,13]. Given the ith functional curve Xi(t) and corresponding response yi, the FGLM can be represented as

g(μ)=α+Tβ(t)Xi(t)dt, (3)

where μ=E(yi|Xi), and g() is a link function. Since we can observe Xi(t) at only finite time points ni, the integral can be substituted by a summation.

The estimate of coefficient β() is unstable because it is an extremely high-dimensional vector. Therefore, basis expanding of β() is a common practice, and with FPCA, β() can be represented as

β(t)=k=1Kβkϕk(t),

where ϕk(t), for k=1,2,,K, is an orthonormal basis function in the K-truncated FPCA model.

Then, the FGLM in (3) will be represented as

g(μ)=α+k=1Kβkξik.

Here, g() is a logit link to construct the binary classifier, and the classification threshold for the predicted probability is 0.5.

For the SVM, we simply apply the method to the K FPC scores. We consider linear kernel and gaussian kernel SVMs, and select the soft margin and kernel's parameters through cross-validation.

Similarly, for LDA, QDA, and naive Bayes classifiers, we determine the classification rule using the selected K FPC scores as predictors.

These are single classifiers based on FPCA for sparse functional data. In the next section, we propose bootstrap aggregated functional classifiers for applying the bagging method to the single classifiers explained above.

3.2. Bootstrap aggregated functional classifier via sparse FPCA

Here, we propose a new classifier, called the bootstrap aggregated functional classifier, based on FPCA. It extracts several samples with replacement, learns each model, and aggregates the results.

Let D={(Ui,yi)i=1,,n} be a set of sparse n curves with Ui=(Ui(tin1),,Ui(tini))T for an observed ith curve at sparse and irregular time points, and yi{1,,g} be the response class label. Here, g = 2 for the binary classification.

Let D(b)={(Ui(b),yi(b))|i=1,,n}, for b=1,,B, be a bootstrap resample from D. Now, for each bootstrap functional data set, we apply one of the classification methods described in Section 3.1, to obtain B classifiers. Then, for b=1,,B, let f^(b)(x) be a predicted class obtained from the bth bootstrap resample. To aggregate the results, we have two methods, the majority vote and out-of-bag (OOB) error weighted vote [15].

  • The majority vote simply chooses the class receiving the highest total vote from all B classifiers. That is, the bagged classifier from the majority vote is
    y^bag=argmaxj{1,2}b=1BI{f^(b)(x)=j}B, (4)
    where I is the indicator function.
  • For the OOB error weighted vote, the OOB error [4] needs to be first computed. This is a well-known test error estimator for bagging, calculated from the OOB samples in the training set not selected through bootstrapping. Let eb for b=1,,B, be the OOB errors from the bootstrapped model. Then, we define the weight as wb=1/eb, with the models exhibiting good performance receiving higher weights, and other models receiving lower weights. If eb=0, indicating no errors from the OOB samples, we set eb=min{e1,,eb1,eb+1,,eB}. Then, the bagged classifier estimate using the OOB error weighted vote is
    y^bag=b=1Bwbf^(b)(x)b=1Bwb. (5)

The above procedure is summarized in Algorithm 1.

3.2.

4. Simulation studies

4.1. Simulation 1

We conduct simulation studies by referring to the models in Wu and Liu [22]. We generate N = 200 curves with two classes as

Ugi(tij)=μg(tij)+k=13ξgkϕk(tij)+ϵi(tij),i=1,,100,j=1,,nij, (6)

where g{0,1} indicates a group label. The FPC functions are defined as

ϕk(t)={cos(πkt/5)/5,kisoddsin(πkt/5)/5,kiseven, (7)

and the FPC scores, ξgk, are sampled from i.i.d.N(0,λgk), for k = 1, 2, 3. The measurement error ϵi(t) is sampled from i.i.d.N(0,0.52).

We consider three models: (A) a different mean and variance model, (B) a different mean model, and (C) a different variance model. For each case, the mean function μg(t) and λgk are defined as in Table 1.

Table 1.

Parameters for models in simulation 1.

Model g μg(t) (λg1,λg2,λg3)
(A) Different mean and variance 0 t+sin(t) (4,2,1)
  1 t+cos(t) (16,8,4)
(B) Different mean 0 t+sin(t) (4,2,1)
  1 t+cos(t) (4,2,1)
(C) Different variance 0 t+sin(t) (4,2,1)
  1 t+sin(t) (16,8,4)

To make each curve sparse, we randomly select the number of observations for the ith curve, ni, from {5,6,,10}, and the corresponding time points tij, for j=1,,ni, from i.i.d.Uniform(0,10).

Figure 1 plots the sample curves generated from the model in (6). The estimated functional mean curve for each group is plotted in Figure 2.

Figure 1.

Figure 1.

Sample functional curves for each group in Simulation 1.

Figure 2.

Figure 2.

Estimated functional mean curve for each group in Simulation 1.

For validation, we randomly split the generated data into a training set and test set, with 100 elements in each. We compare the results of the proposed method with those of six single functional classification models: logistic regression, SVM with linear kernel, SVM with gaussian kernel, LDA, QDA, and naive Bayes. Since the data are sparse, some curves in the test set are not with in the range of time points in the bootstrap sample or training set. Therefore, the classification error rate is evaluated for all curves except those that are out-of-range.

We select the tuning parameters for the SVM model through a 10-fold cross-validation of the whole training set. We select the number of FPC scores, K, by a PVE greater than 0.99. In this simulation setting, K is chosen from 2 to 6.

The average classification errors and standard errors of 500 Monte Carlo repetitions are presented in Table 2. For all the three models, the proposed ensemble classification methods outperform the single classification methods. In particular, the OOB error weighted vote shows the lowest classification error rate for all cases.

Table 2.

The average classification errors (%) and standard errors (in parentheses) from 500 monte carlo repetitions for three simulation 1 designs.

Model Method Logistic regression SVM (Linear) SVM (Gaussian) LDA QDA Naive Bayes
(A) Single 17.09 (5.34) 16.85 (5.13) 15.43 (4.86) 16.73 (5.36) 15.47 (4.95) 16.90 (4.74)
  Majority vote 15.15 (4.45) 15.19 (4.37) 13.37 (4.33) 15.10 (4.42) 14.20 (4.16) 15.70 (4.38)
  OOB weight 14.96 (4.36) 14.88 (4.18) 13.10 (4.11) 14.73 (4.31) 13.63 (4.00) 15.03 (4.23)
(B) Single 11.29 (3.58) 11.07 (3.55) 11.61 (4.04) 10.68 (3.45) 12.04 (3.83) 13.40 (4.07)
  Majority vote 10.21 (3.40) 10.17 (3.22) 10.63 (3.59) 9.95 (3.26) 10.94 (3.48) 11.99 (3.64)
  OOB weight 10.19 (3.34) 10.05 (3.17) 10.54 (3.53) 9.91 (3.22) 10.79 (3.46) 11.74 (3.59)
(C) Single 50.67 (5.91) 49.62 (5.41) 32.92 (5.57) 50.70 (5.92) 31.57 (4.70) 30.57 (4.79)
  Majority vote 49.91 (5.96) 48.79 (6.03) 31.11 (5.62) 49.82 (6.00) 30.86 (4.99) 29.74 (4.77)
  OOB weight 49.62 (6.01) 48.80 (5.95) 31.04 (5.51) 49.63 (6.03) 30.73 (4.95) 29.69 (4.71)

Note: The minimum error rate is marked in bold.

4.2. Simulation 2

Simulation 2 is motivated by Yao et al. [24]. We generate N = 200 curves as,

Ui(t)=k=150ξikϕk(t)+ϵi(t),i=1,,N.

The FPC functions, ϕk(t), are generated as in (7), and the FPC scores, ξik, are sampled from i.i.d.N(0,k3/2), for k=1,,50. For sparsity of data, the number of observations for the ith curve, ni, is randomly selected from {10,11,,20}, and the corresponding time points tij, for j=1,,ni, are selected from i.i.d.Uniform(0,10). The measurement error, ϵi(t), is sampled from i.i.d.N(0,0.1).

Now, we consider the following three models:

Model(A).f(Ui)=exp(β1,Ui/2)1,Model(B).f(Ui)=arctan(πβ1,Ui)+exp(β2,Ui/3)1,Model(C).f(Ui)=arctan(πβ1,Ui/4),

where f,g=Tf(t)g(t)dt for f,gL2(T). Here, β1(t)=k=150bkϕk(t), where bk=1 for k = 1, 2; bk=(k2)3 for k=3,,50; and β2(t)=3/10(t/51). We define the class label for each curve, Ui, as yi=sign{f(Ui)+ϵi}, where ϵii.i.d.N(0,0.1). The estimated functional mean curve for each group is plotted in Figure 3.

Figure 3.

Figure 3.

Estimated functional mean curve for each group in Simulation 2.

We randomly split the generated data into 100 training and 100 test curves, and compare the results of the proposed methods with those of the single classification models. The average classification errors and standard errors from 500 Monte Carlo repetitions are presented in Table 3. Note that the number of FPC scores, K, is chosen from 2 to 6.

Table 3.

The average classification errors (%) and standard errors (in parentheses) from 500 monte carlo repetitions for the models in simulation 2.

Model Method Logistic regression SVM (Linear) SVM (Gaussian) LDA QDA Naive Bayes
A Single 17.92 (4.24) 18.12 (4.34) 19.20 (4.77) 17.95 (4.30) 19.54 (4.64) 20.03 (4.64)
  Majority vote 16.53 (3.95) 16.68 (3.96) 17.24 (4.17) 16.64 (3.87) 17.78 (4.22) 18.53 (4.40)
  OOB weight 16.50 (3.95) 16.65 (3.95) 17.21 (4.20) 16.59 (3.86) 17.71 (4.16) 18.45 (4.45)
B Single 14.39 (4.11) 14.54 (4.17) 15.39 (4.80) 14.44 (4.23) 15.74 (4.36) 16.81 (4.80)
  Majority vote 12.43 (3.73) 12.71 (3.90) 13.15 (4.16) 12.68 (3.81) 13.63 (4.12) 14.97 (4.35)
  OOB weight 12.34 (3.63) 12.61 (3.89) 13.01 (4.12) 12.49 (3.79) 13.47 (4.14) 14.73 (4.22)
C Single 15.47 (4.06) 15.75 (4.16) 16.66 (4.66) 15.52 (4.17) 17.13 (4.53) 18.00 (4.73)
  Majority vote 13.94 (3.67) 14.16 (3.80) 14.78 (4.00) 14.18 (3.72) 15.09 (4.08) 16.30 (4.35)
  OOB weight 13.83 (3.65) 14.11 (3.78) 14.74 (3.97) 14.10 (3.66) 14.98 (4.03) 16.12 (4.34)

For all the models, the proposed ensemble classifiers show lower classification error rates than do the single classifiers. In particular, aggregating works better with the OOB error weighted vote than majority vote for all models.

5. Real-data analysis

5.1. Berkely growth data

Here, we consider a Berkely growth data set [21] including the height data of 93 individuals (54 girls and 39 boys). The data set has 31 time points from ages 1 to 18 for each curve; the original curves are shown in Figure 4.

Figure 4.

Figure 4.

The Berkely growth data of 93 individuals.

Here, we artificially sparsify the data. We randomly select the number of observations for each individual from {12,13,,15}, and the corresponding time points from the original time points. For validation, we randomly divide the 93 curves into 62 training and 31 test curves, and compare the performances in gender classification. The number of FPC scores, K, is selected from 2 to 5.

We repeat this process 500 times with different splits; the average results are summarized in Table 4. For all methods, the proposed bagging classifiers exhibit better accuracy than the single classifiation models. In particular, the bagged QDA with majority vote shows the lowest classification error rate, 4.88%.

Table 4.

The average classification errors (%) and standard errors (in parentheses) from 500 random splits in the berkerly growth data.

Method Logistic regression SVM (Linear) SVM (Gaussian) LDA QDA Naive Bayes
Single 6.90 (4.31) 5.55 (3.42) 5.90 (3.55) 5.77 (3.30) 5.74 (3.41) 5.93 (3.92)
Majority vote 5.84 (3.76) 5.12 (3.22) 5.24 (3.29) 5.33 (3.25) 4.88 (3.17) 5.61 (3.65)
OOB weight 5.81 (3.73) 5.25 (3.26) 5.26 (3.26) 5.36 (3.27) 4.93 (3.18) 5.43 (3.56)

5.2. Spinal bone mineral density data

For real sparse functional data, we consider spinal bone mineral density data [1]. The data set contains the spinal bone mineral density data of 280 individuals (153 females and 127 males) measured at sparse and irregular time points. Each curve has two to four observations (Figure 5). We compare various methods for gender classification.

Figure 5.

Figure 5.

Spinal bone mineral density of 280 individuals.

We randomly divide the data into 187 training and 93 test sets, and apply the methods to 500 different data splits. The number of FPC scores, K, ranges from 3 to 6. The average results of 500 different splits are summarized in Table 5. The proposed bagging classifiers show improved performances for all cases, and the bagged logistic regression with majority vote shows the lowest classification error rate, 30.94%.

Table 5.

The average classification errors (%) and standard errors (in parentheses) from 500 random splits of the spinal bone mineral density data.

Method Logistic regression SVM (Linear) SVM (Gaussian) LDA QDA Naive Bayes
Single 32.07 (4.19) 32.29 (4.20) 33.30 (4.40) 32.00 (4.16) 35.61 (4.58) 34.53 (4.80)
Majority vote 30.94 (4.07) 31.24 (4.23) 31.80 (4.16) 30.99 (3.93) 32.68 (4.31) 32.35 (4.11)
OOB weight 30.94 (4.13) 31.27 (4.18) 31.75 (4.18) 31.00 (3.98) 32.72 (4.32) 32.28 (4.07)

6. Conclusion and discussion

In this paper, we propose a new ensemble classification method for sparse functional data. Since observed curves are often sparse and irregular in real-data analyzes, we use FPC scores estimated using the PACE method. We then propose a bagged model combining classifiers based on FPC scores. Bagging is usually applied to the weak learners [20]. However, since we want to compare the performance of single classifiers and corresponding ensemble classifiers, we consider various learners including weak and stable classifiers.

We consider two aggregating methods, the majority vote and OOB error weighted vote, and compare their classification performances with those of the single classifiers. Our simulation results confirm that the proposed aggregated classification models outperform the single classifiers in various settings. Two real-data analyzes show the superiority of the proposed method.

The ensemble classification method can be easily extended to multi-class classification problems, where the aggregating method is expected to outperform single classifiers. Other ensemble methods such as boosting and stacking can also be used [14].

Acknowledgments

This research is supported by the National Research Foundation of Korea (NRF) funded by the Korea government (2019R1A2C4069453).

Funding Statement

This research is supported by the National Research Foundation of Korea (NRF) funded by the Korea government (2019R1A2C4069453) and Korea Institute of Energy Technology Evaluation and Planning (KETEP) and the Ministry of Trade, Industry & Energy (MOTIE) of the Republic of Korea (No. 20199710100060).

Disclosure statement

No potential conflict of interest was reported by the author(s).

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