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Evaluating time series forecasting

models
An empirical study on performance estimation methods

Vitor Cerqueira1,2 , Luis Torgo1,2,3 , and Igor Mozetič4


1
LIAAD-INESC TEC, Porto, Portugal
arXiv:1905.11744v1 [cs.LG] 28 May 2019

2
University of Porto, Porto, Portugal
3
Dalhousie University, Halifax, Canada
4
Jožef Stefan Institute, Ljubljana, Slovenia

May 29, 2019

Performance estimation aims at estimating the loss that a predictive


model will incur on unseen data. These procedures are part of the pipeline
in every machine learning project and are used for assessing the overall
generalisation ability of predictive models. In this paper we address the
application of these methods to time series forecasting tasks. For inde-
pendent and identically distributed data the most common approach is
cross-validation. However, the dependency among observations in time
series raises some caveats about the most appropriate way to estimate per-
formance in this type of data and currently there is no settled way to do
so. We compare different variants of cross-validation and of out-of-sample
approaches using two case studies: One with 62 real-world time series and
another with three synthetic time series. Results show noticeable differ-
ences in the performance estimation methods in the two scenarios. In
particular, empirical experiments suggest that cross-validation approaches
can be applied to stationary time series. However, in real-world scenarios,
when different sources of non-stationary variation are at play, the most
accurate estimates are produced by out-of-sample methods that preserve
the temporal order of observations.

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1 Introduction
Machine learning plays an increasingly important role in science and technology, and
performance estimation is part of any machine learning project pipeline. This task is
related to the process of using the available data to estimate the loss that a model
will incur on unseen data. Machine learning practitioners typically use these methods
for model selection, hyper-parameter tuning and assessing the overall generalization
ability of the models. In effect, obtaining reliable estimates of the performance of
models is a critical issue on all predictive analytics tasks.
Choosing a performance estimation method often depends on the data one is mod-
elling. For example, when one can assume independence and an identical distribution
(i.i.d.) among observations, cross-validation [17] is typically the most appropriate
method. This is mainly due to its efficient use of data [1]. However, there are some
issues when the observations in the data are dependent, such as time series. These
dependencies raise some caveats about using standard cross-validation in such data.
Notwithstanding, there are particular time series settings in which variants of cross-
validation can be used, such as in stationary or small-sized data sets where the efficient
use of all the data by cross-validation is beneficial [6].
In this paper we present a comparative study of different performance estimation
methods for time series forecasting tasks. Several strategies have been proposed in the
literature and currently there is no consensual approach. We applied different methods
in two case studies. One is comprised of 62 real-world time series with potential non-
stationarities and the other is a stationary synthetic environment [4–6].
In this study we compare two main classes of estimation methods:

• Out-of-sample (OOS): These methods have been traditionally used to estimate


predictive performance in time-dependent data. Essentially, out-of-sample meth-
ods hold out the last part of the time series for testing. Although these ap-
proaches do not make a complete use of the available data, they preserve the
temporal order of observations. This property may be important to cope with
the dependency among observations and account for the potential temporal cor-
relation between the consecutive values of the time series.
• Cross-validation (CVAL): These approaches make a more efficient use of the
available data, which is beneficial in some settings [6]. They assume that obser-
vations are i.i.d., though some strategies have been proposed to circumvent this
requirement. These methods have been shown to be able to provide more robust
estimations than out-of-sample approaches in some time series scenarios [4–6].

A key characteristic that distinguishes these two types of approaches is that OOS meth-
ods always preserve the temporal order of observations meaning that a model is never
tested on past data. The objective of this study is to address the following research
question: How do out-of-sample methods compare to cross-validation approaches in
terms of performance estimation ability for different types of time series data?
This paper is an extension to an article published before [12]. In this work, we
substantially increase the experimental setup both in methods and data sets used;

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provide additional analysis such as the impact of stationarity; and a more in-depth
and critical discussion of the results.
This paper is structured as follows. The literature on performance estimation for
time series forecasting tasks is reviewed in Section 2. Materials and methods are
described in Section 3, including the predictive task, time series data sets, performance
estimation methodology, and experimental design. The results of the experiments are
reported in Section 4. A discussion of our results is carried out in Section 5. Finally,
the conclusions of our empirical study are provided in Section 6.

2 Background
In this section we provide a background to this paper. We review the typical estimation
methods used in time series forecasting and explain the motivation for this study.
In general, performance estimation methods for time series forecasting tasks are
designed to cope with the dependence between observations. This is typically accom-
plished by having a model tested on observations future to the ones used for training.
These include the OOS testing as well as variants of the CVAL method.

2.1 Out-of-sample approaches

Training Test

Figure 1: Simple out-of-sample procedure: an initial part of the available observations


are used for fitting a predictive model. The last part of the data is held out,
where the predictive model is tested.

When using OOS performance estimation procedures, a time series is split into two
parts: an initial fit period in which a model is trained, and a testing period held out
for estimating the loss of that model. This simple approach (Holdout) is depicted in
Figure 1. However, within this type of procedure one can adopt different strategies
regarding training/testing split point, growing or sliding window settings, and eventual
update of the models. In order to produce a robust estimate of predictive performance,
Tashman [38] recommends employing these strategies in multiple test periods. One
might create different sub-samples according to, for example, business cycles [14]. For
a more general setting one can also adopt a randomized approach. This is similar to
random sub-sampling (or repeated holdout) in the sense that they consist of repeating
a learning plus testing cycle several times using different, but possibly overlapping data
samples (Rep-Holdout). This idea is illustrated in Figure 2, where one iteration of a
repeated holdout is shown. A point a is randomly chosen from the available window

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(constrained by the training and testing sizes) of a time series Y. This point then
marks the end of the training set, and the start of the testing set.

Traininga Testa
Y

Available Window

Figure 2: Example of one iteration of the repeated holdout procedure. A point a is


chosen from the available window. Then, a previous part of observations
are used for training, while a subsequent part of observations are used for
testing.

2.2 Prequential

Train Test Removed

1 2 3 4 5
Folds

Figure 3: Variants of prequential approach applied in blocks for performance estima-


tion. This strategy can be applied using a growing window (left, right), or a
sliding window (middle). One can also introduce a gap between the training
and test sets.

OOS approaches are similar to prequential or interleaved-test-then-train evalua-


tion [7, Chapter 2.2]. Prequential is typically used in data streams mining. The idea
is that each observation is first used to test the model, and then to train the model.
This can be applied in blocks of sequential instances [29]. In the initial iteration, only
the first two blocks are used, the first for training and the second for test. In the next
iteration, the second block is merged with the first and the third block is used for
test. This procedure continues until all blocks are tested (Preq-Bls). This procedure
is exemplified in the left side of Figure 3, in which the data is split into 5 blocks.

4
A variant of this idea is illustrated in the middle scheme of Figure 3. Instead of merg-
ing the blocks after each iteration (growing window), one can forget the older blocks
in a sliding window fashion (Preq-Sld-Bls). This idea is typically adopted when past
data becomes deprecated, which is common in non-stationary environments. Another
variant of the prequential approach is represented in the right side of Figure 3. This
illustrates a prequential approach applied in blocks, where a gap block is introduced
(Preq-Bls-Gap). The rationale behind this idea is to increase the independence be-
tween training and test sets.

2.3 Cross-validation approaches


The typical approach when using K-fold cross-validation is to randomly shuffle the
data and split it in K equally-sized folds or blocks. Each fold is a subset of the data
comprising t/K randomly assigned observations, where t is the number of observations.
After splitting the data into K folds, each fold is iteratively picked for testing. A
model is trained on K-1 folds and its loss is estimated on the left out fold (CV). In
fact, the initial random shuffle of observations before splitting into different blocks
is not intrinsic to cross-validation [17]. Notwithstanding, the random shuffling is a
common practice among data science professionals. This approach to cross-validation
is illustrated in the left side of Figure 4.

2.3.1 Variants designed for time-dependent data


Some variants of K-fold cross-validation have been proposed specially designed for
dependent data, such as time series [1]. However, theoretical problems arise by apply-
ing this technique directly to this type of data. The dependency among observations
is not taken into account since cross-validation assumes the observations to be i.i.d..
This might lead to overly optimistic estimations and consequently, poor generalisation
ability of predictive models on new observations. For example, prior work has shown
that cross-validation yields poor estimations for the task of choosing the bandwidth
of a kernel estimator in correlated data [18]. To overcome this issue and approximate
independence between the training and test sets, several methods have been proposed
as variants of this procedure. We will focus on variants designed to cope with temporal
dependency among observations.
The Blocked Cross-Validation [35] (CV-Bl) procedure is similar to the standard
form described above. The difference is that there is no initial random shuffling of
observations. In time series, this renders K blocks of contiguous observations. The
natural order of observations is kept within each block, but broken across them. This
approach to cross-validation is also illustrated in the left side of Figure 4. Since the
random shuffle of observations is not being illustrated, the figure for CV-Bl is identical
to the one shown for CV.
The Modified CV procedure [27] (CV-Mod) works by removing observations from the
training set that are correlated with the test set. The data is initially randomly shuffled
and split into K equally-sized folds similarly to K-fold cross-validation. Afterwards,
observations from the training set within a certain temporal range of the observations

5
Train Test Removed

5
4
Folds
3
2
1

Figure 4: Variants of cross-validation estimation procedures

of the test set are removed. This ensures independence between the training and test
sets. However, when a significant amount of observations are removed from training,
this may lead to model under-fit. This approach is also described as non-dependent
cross-validation [4]. The graph in the middle of Figure 4 illustrates this approach.
The hv-Blocked Cross-Validation (CV-hvBl) proposed by Racine [34] extends blocked
cross-validation to further increase the independence among observations. Specifically,
besides blocking the observations in each fold, which means there is no initial randomly
shuffle of observations, it also removes adjacent observations between the training and
test sets. Effectively, this creates a gap between both sets. This idea is depicted in
the right side of Figure 4.

2.3.2 Usefulness of cross-validation approaches


Recently there has been some work on the usefulness of cross-validation procedures for
time series forecasting tasks. Bergmeir and Benı́tez [4] present a comparative study
of estimation procedures using stationary time series. Their empirical results show
evidence that in such conditions cross-validation procedures yield more accurate esti-
mates than an OOS approach. Despite the theoretical issue of applying standard cross-
validation, they found no practical problem in their experiments. Notwithstanding,
the Blocked cross-validation is suggested for performance estimation using stationary
time series.
Bergmeir et al. [5] extended their previous work for directional time series forecasting
tasks. These tasks are related to predicting the direction (upward or downward) of
the observable. The results from their experiments suggest that the hv-Blocked CV
procedure provides more accurate estimates than the standard out-of-sample approach.
These were obtained by applying the methods on stationary time series.
Finally, Bergmeir et al. [6] present a simulation study comparing standard cross-
validation to out-of-sample evaluation. They used three data generating processes and
performed 1000 Monte Carlo trials in each of them. For each trial and generating
process, a stationary time series with 200 values was created. The results from the
simulation suggest that cross-validation systematically yields more accurate estimates,

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provided that the model is correctly specified.
In a related empirical study [30], the authors compare estimation procedures on
several large time-ordered Twitter datasets. They find no significant difference between
the best cross-validation and out-of-sample evaluation procedures. However, they do
find that standard, randomized cross-validation is significantly worse than the blocked
cross-validation, and should not be used to evaluate classifiers in time-ordered data
scenarios.
Despite the results provided by these previous works we argue that they are limited
in two ways. First, the used experimental procedure is biased towards cross-validation
approaches. While these produce several error estimates (one for each fold), the OOS
approach is evaluated in a one-shot estimation, where the last part of the time series is
withheld for testing. OOS methods can be applied in several windows for more robust
estimates, as recommended by Tashman [38]. By using a single origin, one is prone to
particular issues related to that origin.
Second, the results are based on stationary time series, most of them artificial.
Time series stationarity is equivalent to identical distribution in the terminology of
more traditional predictive tasks. Hence, the synthetic data generation processes and
especially the stationary assumption limit interesting patterns that can occur in real-
world time series. Our working hypothesis is that in more realistic scenarios one is
likely to find time series with complex sources of non-stationary variations.
In this context, this paper provides an extensive comparative study using a wide set
of methods for evaluating the performance of uni-variate time series forecasting models.
These include several variants of both cross-validation and out-of-sample approaches.
The analysis is carried out using a real-world scenario as well as a synthetic case study
used in the works described previously [4–6].

2.4 Related work on performance estimation for dependent data


The problem of performance estimation has also been under research in different sce-
narios where the observations are somehow dependent (non-i.i.d.).

2.4.1 Performance estimation under spatio-temporal dependencies


Geo-referenced time series are becoming more prevalent due to the increase of data
collection from sensor networks. In these scenarios, the most appropriate estimation
procedure is not obvious as spatio-temporal dependencies are at play. Oliveira et
al. [32] presented an extensive empirical study of performance estimation for forecasting
problems with spatio-temporal time series. The results reported by the authors suggest
that both CVAL and OOS methods are applicable in these scenarios. Like previous
work in time-dependent domains [4, 30], Oliveira et al. suggest the use of blocking
when using a cross-validation estimation procedure.

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2.4.2 Performance estimation in data streams mining
Data streams mining is concerned with predictive models that evolve continuously over
time in response to concept drift [16]. Gama et al. [15] provide a thorough overview
of the evaluation of predictive models for data streams mining. The authors defend
the usage of the prequential estimator with a forgetting mechanism, such as a fading
factor or a sliding window.
This work is related to ours in the sense that it deals with performance estimation
using time-dependent data. Notwithstanding, the paradigm of data streams mining
is in line with sequential analysis [40]. As such, the assumption is that the sample
size is not fixed in advance, and predictive models are evaluated as observations are
collected. In our setting, given a time series data set, we want to estimate the loss
that a predictive models will incur in unseen observations future to that data set.

3 Materials and methods


In this section we present the materials and methods used in this work. First, we will
define the prediction task. Second, the time series data sets are described. We then
formalize the methodology employed for performance estimation. Finally, we overview
the experimental design.

3.1 Predictive task definition


A time series is a temporal sequence of values Y = {y1 , y2 , . . . , yt }, where yi is the
value of Y at time i and t is the length of Y . We remark that we use the term time
series assuming that Y is a numeric variable, i.e., yi ∈ R, ∀ yi ∈ Y .
Time series forecasting denotes the task of predicting the next value of the time
series, yt+1 , given the previous observations of Y . We focus on a purely auto-regressive
modelling approach, predicting future values of time series using its past lags.
To be more precise, we use time delay embedding [37] to represent Y in an Euclidean
space with embedding dimension p. Effectively, we construct a set of observations
which are based on the past p lags of the time series. Each observation is composed
of a feature vector xi ∈ X ⊂ Rp , which denotes the previous p values, and a target
vector yi ∈ Y ⊂ R, which represents the value we want to predict. The objective is to
construct a model f : X → Y, where f denotes the regression function.
Summarizing, we generate the following matrix:
 
y1 y2 . . . yp−1 yp yp+1
 .. .. .. .. .. .. 

 . . . . . . 
Y[n,p] =  yi−p+1 yi−p+2 . . . yi−1 yi yi+1 


 .. .. .. .. .. .. 
 . . . . . . 
yt−p+1 yt−p+2 . . . yt−1 yt yt+1

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Taking the first row of the matrix as an example, the target value is yp+1 , while the
attributes (predictors) are the previous p values {y1 , . . . , yp }. Essentially we assume
that there are no time dependencies larger than p.

3.2 Time series data


Two different case studies are used to analyse the performance estimation methods:
a scenario comprised of real-world time series and a synthetic setting used in prior
work [4–6] for addressing the issue of performance estimation for time series forecasting
tasks.

3.2.1 Real-world time series


We analyse 62 real-world time series (RWTS) from different domains. They have
different granularity and length as well as unknown dynamics. The time series are
described in Table 1 in Appendix 6. In the table, the column p denotes the embedding
dimension of the respective time series. Our approach for estimating this parameter is
addressed in section 3.4.1. Differencing is the computation of the differences between
consecutive observations. This process is useful to remove changes in the level of a
time series, thus stabilising the mean [20]. This is important to account for trend and
seasonality in time series. The column I represents the number of differences applied to
the respective time series in order to make it trend-stationary according to the KPSS
test [24]. Finally, the column S represents whether or not a time series is stationary
(1 if it is, 0 otherwise).
We analysed the stationarity of the time series comprising the real-world case study.
Essentially, a time series is said to be stationary if its characteristics do not depend
on the time that the data is observed [20]. In this work we consider a stationarity of
order 2. This means that a time series is considered stationary if it has constant mean,
constant variance, and an auto-covariance that does not depend on time. Henceforth
we will refer a time series as stationary if it is stationary of order 2.
In order to test if a given time series is stationary we follow the wavelet spectrum
test described by Nason [31]. This test starts by computing an evolutionary wavelet
spectral approximation. Then, for each scale of this approximation, the coefficients
of the Haar wavelet are computed. Any large Haar coefficient is evidence of a non-
stationarity. An hypothesis test is carried out to assess if a coefficient is large enough to
reject the null hypothesis of stationarity. In particular, we apply a multiple hypothesis
test with a Bonferroni correction and a false discovery rate [31].
In Figure 5 is shown an example of the application of the wavelet spectrum test to
a non-stationary time series. In the graphic, each red horizontal arrow denotes a non-
stationarity found by the test. The left-hand side axis denotes the scale of the time
series. The right-hand axis represents the scale of the wavelet periodogram and where
the non-stationarities are found. Finally, the lengths of the arrows denote the scale
of the Haar wavelet coefficient whose null hypothesis was rejected. For a thorough
description of this method we refer to the work by Nason [31].

9
140

9
80 100

8
7
x

60

6
40

5
20

4
0 200 400 600 800 1000

Time
MC Type: FDR . 14 rejected.
Figure 5: Application of the wavelet spectrum test to a non-stationary time series.
Each red horizontal arrow denote a non-stationarity identified by the test.

3.2.2 Synthetic time series


We use three synthetic use cases defined in previous work by Bergmeir et al. [5, 6].
The data generating processes are all stationary and are designed as follows:
S1: A stable auto-regressive process with lag 3, i.e., the next value of the time series
is dependent on the past 3 observations – c.f. Figure 6 for a sample graph.
S2: An invertible moving average process with lag 1 – c.f. Figure 7 for a sample graph.
S3: A seasonal auto-regressive process with lag 12 and seasonal lag 1 – c.f. Figure 8
for a sample graph.
For the first two cases, S1 and S2, real-valued roots of the characteristic polynomial
are sampled from the uniform distribution [−r; −1.1] ∪ [1.1, r], where r is set to 5 [4].
Afterwards, the roots are used to estimate the models and create the time series. The
data is then processed by making the values all positive. This is accomplished by
subtracting the minimum value and adding 1. The third case S3 is created by fitting
a seasonal auto-regressive model to a time series of monthly total accidental deaths
in the USA [9]. For a complete description of the data generating process we refer to
the work by Bergmeir et al. [4, 6]. Similarly to Bergmeir et al., for each use case we
performed 1000 Monte Carlo simulations. In each repetition a time series with 200
values was generated.

3.3 Performance estimation methodology


Performance estimation addresses the issue of estimating the predictive performance of
predictive models. Frequently, the objective behind these tasks is to compare different

10
8

0 50 100 150 200


Time

Figure 6: Sample graph of the S1 synthetic case.

solutions for solving a predictive task. This includes selecting among different learning
algorithms and hyper-parameter tuning for a particular one.
Training a learning model and evaluating its predictive ability on the same data
has been proven to produce biased results due to overfitting [1]. Since then several
methods for performance estimation have been proposed in the literature, which use
new data to estimate the performance of models. Usually, new data is simulated by
splitting the available data. Part of the data is used for training the learning algorithm
and the remaining data is used to test and estimate the performance of the model.
For many predictive tasks the most widely used of these methods is K-fold cross-
validation [36] (c.f. Section 2 for a description). The main advantages of this method is
its universal splitting criteria and efficient use of all the data. However, cross-validation
is based on the assumption that observations in the underlying data are independent.
When this assumption is violated, for example in time series data, theoretical problems
arise that prevent the proper use of this method in such scenarios. As we described in
Section 2 several methods have been developed to cope with this issue, from out-of-
sample approaches [38] to variants of the standard cross-validation, e.g., block cross-
validation [35].
Our goal in this paper is to compare a wide set of estimation procedures, and test
their suitability for different types of time series forecasting tasks. In order to emulate
a realistic scenario we split each time series data in two parts. The first part is used to
estimate the loss that a given learning model will incur on unseen future observations.
This part is further split into training and test sets as described before. The second
part is used to compute the true loss that the model incurred. This strategy allows the
computation of unbiased estimates of error since a model is always tested on unseen
observations.
The workflow described above is summarised in Figure 9. A time series Y is split
into an estimation set Y est and a subsequent validation set Y val . First, Y est is used
to calculate ĝ, the estimate of the loss that a predictive model m will incur on future

11
6

0 50 100 150 200


Time

Figure 7: Sample graph of the S2 synthetic case.

new observations. This is accomplished by further splitting Y est into training and test
sets according to the respective estimation procedure gi , i ∈ {1, . . . , z}. The model m
is built on the training set and ĝi is computed on the test set.
Second, in order to evaluate the estimates ĝi produced by the methods gi , i ∈
{1, . . . , z}, the model m is re-trained using the complete set Y est and tested on the
validation set Y val . Effectively, we obtain Lm , the ground truth loss that m incurs on
new data.
In summary, the goal of an estimation method gi is to approximate Lm by ĝi as well
as possible. In Section 3.4.3 we describe how to quantify this approximation.

3.4 Experimental design


The experimental design was devised to address the following research question: How
do the predictive performance estimates of cross-validation methods compare to the
estimates of out-of-sample approaches for time series forecasting tasks?
Existing empirical evidence suggests that cross-validation methods provide more ac-
curate estimations than traditionally used OOS approaches in stationary time series
forecasting [4–6] (see Section 2). However, many real-world time series comprise com-
plex structures. These include cues from the future that may not have been revealed
in the past. Effectively, our hypothesis is that preserving the temporal order of obser-
vations when estimating the predictive ability of models is an important component.

3.4.1 Embedding dimension and estimation set size


We estimate the optimal embedding dimension (p) using the method of False Nearest
Neighbours [21]. This method analyses the behaviour of the nearest neighbours as we
increase p. According to Kennel et al. [21], with a low sub-optimal p many of the
nearest neighbours will be false. Then, as we increase p and approach an optimal

12
10000

9000

8000

7000

0 50 100 150 200


Time

Figure 8: Sample graph of the S3 synthetic case.

embedding dimension those false neighbours disappear. We set the tolerance of false
nearest neighbours to 1%. The embedding dimension estimated for each series is shown
in Table 1. Regarding the synthetic case study, we fixed the embedding dimension to
5. The reason for this setup is to try to follow the experimental setup by Bergmeir et
al. [6].
The estimation set (Y est ) in each time series is the first 70% observations of the
time series – see Figure 9. The validation period is comprised of the subsequent 30%
observations (Y val ).

3.4.2 Estimation methods


In the experiments we apply a total of 11 performance estimation methods, which are
divided into CVAL variants and OOS aproaches. The cross-validation methods are
the following:

CV Standard, randomized K-fold cross-validation;


CV-Bl Blocked K-fold cross-validation;
CV-Mod Modified K-fold cross-validation;
CV-hvBl hv-Blocked K-fold cross-validation;

Conversely, the out-of-sample approaches are the following:

Holdout A simple OOS approach–the first 70% of Y E is used for training and the
subsequent 30% is used for testing;
Rep-Holdout OOS tested in nreps testing periods with a Monte Carlo simulation using
70% of the total observations t of the time series in each test. For each period,

13
Time series Y

Estimation Yest Validation Yval

g1 g2 ... gu

ĝ1 ĝ2 ... ĝu

Lm

Figure 9: Experimental comparison procedure: A time series is split into an estimation


set Y est and a subsequent validation set Y val . The first is used to estimate
the error ĝ that the model m will incur on unseen data, using z different
estimation methods. The second is used to compute the actual error Lm
incurred by m. The objective is to approximate Lm by ĝ as well as possible.

a random point is picked from the time series. The previous window comprising
60% of t is used for training and the following window of 10% of t is used for
testing;
Preq-Bls Prequential evaluation in blocks in a growing fashion;
Preq-Sld-Bls Prequential evaluation in blocks in a sliding fashion–the oldest block
of data is discarded after each iteration;
Preq-Bls-Gap Prequential evaluation in blocks in a growing fashion with a gap block–
this is similar to the method above, but comprises a block separating the training
and testing blocks in order to increase the independence between the two parts
of the data;
Preq-Grow and Preq-Slide As baselines we also include the exhaustive prequential
methods in which an observation is first used to test the predictive model and
then to train it. We use both a growing/landmark window (Preq-Grow) and a
sliding window (Preq-Slide).

We refer to Section 2 for a complete description of the methods. The number of


folds K or repetitions nreps in these methods is 10, which is a commonly used setting
in the literature. The number of observations removed in CV-Mod and CV-hvBl (c.f.
Section 2) is the embedding dimension p in each time series.

14
3.4.3 Evaluation metrics
Our goal is to study which estimation method provides a ĝ that best approximates
Lm . Let ĝim denote the estimated loss by the learning model m using the estimation
method g on the estimation set, and Lm denote the ground truth loss of learning model
m on the test set. The objective is to analyze how well ĝim approximates Lm . This is
quantified by the absolute predictive accuracy error (APAE) metric and the predictive
accuracy error (PAE) [6]:

APAE = |ĝim − Lm | (1)

PAE = ĝim − Lm (2)


The APAE metric evaluates the error size of a given estimation method. On the
other hand, PAE measures the error bias, i.e., whether a given estimation method is
under-estimating or over-estimating the true error.
Another question regarding evaluation is how a given learning model is evaluated
regarding its forecasting accuracy. In this work we evaluate models according to root
mean squared error (RMSE). This metric is traditionally used for measuring the dif-
ferences between the estimated values and actual values.

3.4.4 Learning algorithm


The results shown in this work are obtained using a rule-base regression system Cu-
bist [23], a variant of Quinlan’s model tree [33]. This method presented the best fore-
casting results among several other predictive models in a recent study [11]. Notwith-
standing, other learning algorithms were tested, namely the lasso [39] and a random
forest [41]. The conclusions drawn using these algorithms are similar to the ones
reported in the next sections.

4 Empirical experiments
4.1 Results with synthetic case study
In this section we start by analysing the average rank, and respective standard de-
viation, of each estimation method and for each synthetic scenario (S1, S2, and S3),
according to the metric APAE. For example, a rank of 1 in a given Monte Carlo rep-
etition means that the respective method was the best estimator in that repetition.
These analyses are reported in Figures 10–12. This initial experiment is devised to
reproduce the results by Bergmeir et al. [6]. Later, we will analyse how these results
compare when using real-world time series.
The results shown by the average ranks corroborate those presented by Bergmeir
et al. [6]. That is, cross validation approaches generally perform better (i.e., show a
lower average rank) relative to the simple out-of-sample procedure Holdout. This can
be concluded from all three scenarios: S1, S2, and S3.

15
9

Avg. rank & Std dev.


6

0
ap

ls

ls

ut

od

Bl

Bl

ut

w
id
C

ro
−B

−B

do

do
hv

V−
−G

Sl

−G
ol

V−

V−

ol
ld

eq

q−
ls

−H

H
−S

eq
Pr
−B

e
Pr
eq

ep

Pr
eq

Pr

R
Pr

Figure 10: Average rank and respective standard deviation of each estimation methods
in case study S1

Focusing on scenario S1, the estimation method with the best average rank is
Preq-Bls-Gap, followed by the other two prequential variants (Preq-Sld-Bls, and
Preq-Bls). Although the Holdout procedure is clearly a relatively poor estimator
(worst average rank), the repeated holdout in multiple testing periods (Rep-Holdout)
shows a better average rank than the cross validation procedures (though with a large
standard deviation). Among cross validation procedures, CV-Mod presents the best
average rank.

9
Avg. rank & Std dev.

Bl Bl od CV ut ut Bl
s p ow ide Bl
s
hv −
−M ldo ldo q− Ga r l
ld−
− CV Ho o e ls− −G −S
CV CV −H Pr −B eq eq q−
S
p
eq Pr Pr e
Re Pr Pr

Figure 11: Average rank and respective standard deviation of each estimation methods
in case study S2

Scenario S2 shows a seemingly different story relative to S1. In this problem, the pre-
quential variants present the worst average rank, while the cross validation procedures
show the best estimation ability. Among all, CV-hvBl shows the best average rank.
Moreover, Rep-Holdout presents again a large standard deviation in rank, relative to

16
10.0

Avg. rank & Std dev.


7.5

5.0

2.5

0.0

Bl
s od Bl CV p Bl ide ow Bl
s ut ut
− −M hv Ga − l r
ld− ldo ldo
eq − ls− CV −S −G Ho Ho
Pr CV CV −B re
q
re
q
q−
S
p−
eq P P e
Pr Pr Re

Figure 12: Average rank and respective standard deviation of each estimation methods
in case study S3

the remaining estimation methods.


Regarding the scenario S3, the outcome is less clear than the previous two scenarios.
The methods show a closer average rank among them, with large standard deviations.
In summary, this first experiment corroborates the experiment carried our by Bergmeir
et al. [6]. Notwithstanding, other methods that the authors did not test show an inter-
esting estimation ability in these particular scenarios, namely the prequential variants.
The synthetic scenarios comprise time series that are stationary. However, real-world
time series often comprise complex dynamics that break stationarity. When choosing
a performance estimation method one should take this issue into consideration. To
account for time series stationarity, in the next section we analyze the estimation
methods using real-world time series. We will also control for time series stationarity
to study its impact on the results.

4.2 Results with real-world case study


In this section we analyze the performance estimation ability of each method using a
case study comprised of real-world time series from different domains.

4.2.1 Main results


To accomplish this in Figure 13 we start by analyzing the average rank, and respec-
tive standard deviation, of each estimation method using the APAE metric. This
graphic tells a different story relative to the synthetic case study. Particularly, the
Rep-Holdout and Holdout show the best estimation ability in terms of the average
rank. The method CV-Bl is the best estimator among the cross-validation procedures.
In order to study the direction of the estimation error, in Figure 14 we present for
each method the percentual difference between the estimation error and the true er-
ror according to the PAE metric. In this graphic, values below the zero line denote

17
10.0

Avg. rank & Std dev.


7.5

5.0

2.5

0.0
t ut l ls Bl s
ou ldo −B ide CV ow −B Ga
p
hv Mo
d Bl
old CV Sl −G
r
d−
Ho q− eq ls− V− V− Sl
p−
H
Pr
e re
q Pr − B C C −
Re P eq eq
Pr Pr

Figure 13: Average rank and respective standard deviation of each estimation methods
in case study RWTS

CV CV−Bl CV−Mod CV−hvBl Preq−Bls Preq−Sld−BlsPreq−Bls−Gap Holdout Rep−Holdout Preq−Grow Preq−Slide


Percentual difference to true loss

Figure 14: Percentual difference of the estimated loss relative to the true loss for each
estimation method in the RWTS case study. Values below the zero line
represent under-estimations of error. Conversely, values above the zero line
represent over-estimations of error.

under-estimations of error, while values above the zero line represent over-estimations.
In general, cross-validation procedures tend to under-estimate the error (i.e. are op-
timistic estimators), while the prequential and out-of-sample variants tend to over-
estimate the error (i.e. are pessimistic estimators).
This result corroborates the results on Twitter time-ordered data [30]. The authors
found that all variants of cross-validation procedures tend to under-estimate the errors,
while the out-of-sample procedures tend to over-estimate them.
We also study the statistical significance of the obtained results in terms of error
size (APAE) according to a Bayesian analysis [2]. Particularly, we employed the Bayes
sign test to compare pairs of methods across multiple problems. We define the region

18
Result Rep−Holdout wins draw Rep−Holdout loses

1.00

Proportion of probability 0.75

0.50

0.25

0.00
l l ut ls
CV −B vB od
ldo B Ga
p
Gr
ow Bls Sli
de
CV −h −M Ho q− ls− q− ld− q−
CV CV Pre q−B Pre q−S Pre
Pre Pre

Figure 15: Proportion of probability of the outcome when comparing the perfor-
mance estimation ability of the respective estimation method with the
Rep-Holdout method. The probabilities are computed using the Bayes
sign test.

of practical equivalence [2] (ROPE) to be the interval [-2.5%, 2.5%] in terms of APAE.
Essentially, this means that two methods show indistinguishable performance if the
difference in performance between them falls within this interval. For a thorough
description of the Bayesian analysis for comparing predictive models we refer to the
work by Benavoli et al [2].
In this experiment we fix the method Rep-Holdout as the baseline, since it is the one
showing the best average rank (Figure 13). According to the illustration in Figure 15,
the probability of Rep-Holdout winning (i.e., showing a significantly better estimation
ability) is generally larger than the opposite.

4.2.2 Controlling for stationarity


After analyzing the synthetic case study we hypothesized that the results were biased
due to the stationarity assumption. In this section we repeat the average rank ex-
periment in the real-world case study controlling for stationarity. We consider a time
series stationary according to the analysis carried out in Section 3.2.1.
In Figure 16 we present the results considering only the real world time series that
are stationary. According to the average rank, the typical cross-validation approach
CV presents the best estimation ability, followed by Rep-Holdout.
In Figure 17 we present a similar analysis for the non-stationary time series, whose
results are considerably different relative to stationary time series. In this scenario, CV
is one of the worst estimator according to average rank. The out-of-sample approaches
Holdout and Rep-Holdout present the best estimation ability.

19
9

Avg. rank & Std dev. 6

0
ut

CV

ls

od

Bl

ap

ls

e
−B
ou

lid
ro
−B

−B
o

hv
M

G
ld

ld

CV

−S
G
ls−


eq

d
Ho

Ho

q−
CV

CV

Sl

eq
Pr

−B

q−
p−

Pr
Pr
eq

e
Re

Pr
Pr
Figure 16: Average rank and respective standard deviation of each estimation methods
in case study RWTS for stationary time series (31 time series).

9
Avg. rank & Std dev.

ut t e p l l s s
ou lid ow Ga −B vB CV Bl od Bl
ldo old −S Gr s− CV −h q− −M ld−
Ho − H r eq eq− Bl CV Pr
e C V − S
p P r − eq
Re P eq Pr
Pr

Figure 17: Average rank and respective standard deviation of each estimation methods
in case study RWTS for non-stationary time series (31 time series).

4.2.3 Descriptive model


What makes an estimation method appropriate for a given time series is related to
the characteristics of the data. For example, in the previous section we analyzed the
impact that stationarity has in terms of what is the best estimation method.
The real-world time series case study comprises a set of time series from different
domains. In this section we present, as a descriptive analysis, a tree-based model
that relates some characteristics of time series according with the most appropriate
estimation method for that time series. Basically, we create a predictive task in which
the attributes are some characteristics of a time series, and the categorical target
variable is the estimation method that best approximates the true loss in that time
series. We use CART [8] (classification and regression tree) algorithm for obtaining the
model for this task. The characteristics used as predictor variables are the following

20
summary statistics:

• Skewness, for measuring the symmetry of the distribution of the time series;
• 5-th and 95-th Percentiles (Perc05, Perc95) of the standardized time series;
• Acceleration (Accel.), as the average ratio between a simple moving average and
the exponential moving average;
• Inter-quartile range (IQR), as a measure of the spread of the standardized time
series;
• Serial correlation, estimated using a Box-Pierce test statistic;

• Long-range dependence, using a Hurst exponent estimation with wavelet trans-


form;
• Maximum Lyapunov Exponent, as a measure of the level of chaos in the time
series;
• a boolean variable, indicating whether or not the respective time series is sta-
tionary according to the wavelet spectrum test [31].

The characteristics used in the obtained decision tree are written in boldface. The
decision tree is shown in Figure 18. The numbers below the name of the method in
each node denote the number of times the respective method is best over the number
of time series covered in that node.

CV (unused)
Rep−Holdout CV−Bl
14 / 62 CV−hvBl
CV−Mod (unused)
yes Accel. < 1.2 no Holdout
Preq−Bls (unused)
Preq−Bls−Gap (unused)
Holdout Rep−Holdout Preq−Grow
8 / 49 7 / 13 Preq−Sld−Bls
Preq−Slide (unused)
Perc05 < −1.6 Rep−Holdout

Holdout Preq−Grow
6 / 13 7 / 36
Perc95 < 1.5

Preq−Grow Preq−Sld−Bls
5 / 16 5 / 20
Skewness >= 0.3 IQR >= 1.2

CV−Bl Preq−Grow CV−hvBl Rep−Holdout


2/9 4/7 3/8 5 / 12

Figure 18: Decision tree that maps the characteristics of time series to the most ap-
propriate estimation method. Graphic created using the rpart.plot frame-
work [28].

21
Some of the estimation methods do not appear in the tree model. The tree leaves,
which represent a decision, are dominated by the Rep-Holdout and Holdout estimation
methods. The estimation methods CV-Bl, Preq-Slide, Preq-Grow, and CV-hvBl also
appear in other leaves.
The estimation method in the root node is Rep-Holdout, which is the best method
most of the times across the 62 time series. The first split is performed according to
the acceleration characteristic of time series. Basically, if acceleration is not below 1.2,
the tree leads to a leaf node with Rep-Holdout as the most appropriate estimation
method. Otherwise, the tree continues with more tests in order to find the most
suitable estimation method for each particular scenario.

5 Discussion
5.1 Impact of the results
In the experimental evaluation we compare several performance estimation methods
in two distinct scenarios: (1) a synthetic case study in which artificial data generating
processes are used to create stationary time series; and (2) a real-world case study
comprising 62 time series from different domains. The synthetic case study is based on
the experimental setup used in previous studies by Bergmeir et al. for the same purpose
of evaluating performance estimation methods for time series forecasting tasks [4–6].
Bergmeir et al. show in previous studies [3, 4] that the blocked form of cross-
validation, denoted here as CV-Bl, yields more accurate estimates than a simple out-of-
sample evaluation (Holdout) for stationary time series forecasting tasks. The method
CV is also suggested to be “a better choice than OOS[Holdout] evaluation” as long as
the data are well fitted by the model [6]. To some extent part of the results from our
experiments corroborate these conclusions. Specifically, this is verified by the APAE
incurred by the estimation procedures in the synthetic case studies.
However, according to our experiments, the results from the synthetic stationary
case studies do not reflect those obtained using real-world time series. In general,
holdout applied with multiple randomized testing periods (Rep-Holdout) provides the
most accurate performance estimates. Notwithstanding, for stationary time series CV
also shows a competitive estimation ability.
In a real-world environment we are prone to deal with time series with complex
structures and different sources of non-stationary variations. These comprise nuances
of the future that may not have revealed themselves in the past [38]. Consequently,
we believe that in these scenarios, Rep-Holdout is a better option as performance
estimation method relative to cross-validation approaches.

5.2 On the importance of data size


The temporal order preservation by OOS approaches, albeit more realistic, comes at a
cost since less data is available for estimating predictive performance. As Bergmeir et
al. [6] argue, this may be important for small data sets, where a more efficient use of

22
the data (e.g. CV) may be beneficial. However, during our experimental evaluation we
did not found compelling evidence to back this claim. In the reported experiments we
fixed the data size to 200 observations, as Bergmeir et al [6] did. In order to control for
data size, we varied this parameter from a size of 100 to a size of 3000, by intervals of
100 (100, 200, ..., 3000). The experiments did not provide any evidence that the size
of the synthetic time series had a noticeable effect on the error of estimation methods.
In our experiments the size of the time series in the real-world case study are in
the order of a few thousands. For large scale data sets the recommendation by Diet-
terich [13], and usually adopted in practice, is to apply a simple out-of-sample estima-
tion procedure (Holdout).

5.3 Scope of the real-world case study


In this work we center our study on univariate numeric time series. Nevertheless,
we believe that the conclusions of our study are independent of this assumption and
should extend for other types of time series. The objective is to predict the next value
of the time series, assuming immediate feedback from the environment. Moreover, we
focus on time series with a high sampling frequency, specifically, half-hourly, hourly,
and daily data. The main reason for this is because high sampling frequency is typi-
cally associated with more data, which is important for fitting the predictive models
from a machine learning point of view. Standard forecasting benchmark data are typ-
ically more centered around low sampling frequency time series, for example the M
competition data [26].

6 Final remarks
In this paper we analyse the ability of different methods to approximate the loss that
a given predictive model will incur on unseen data. This error estimation process is
performed in every machine learning task for model selection and hyper-parameter
tuning. We focus on performance estimation for time series forecasting tasks. Since
there is currently no settled approach for performance estimation in these settings, our
objective is to compare different available methods and test their suitability.
We analyse several methods that can be generally split into out-of-sample approaches
and cross-validation methods. These were applied to two case studies: a synthetic
environment with stationary time series and a real-world scenario with potential non-
stationarities.
In a stationary setting the cross-validation variants are shown to have a competitive
estimation ability. However, when non-stationarities are present, they systematically
provide worse estimations than the out-of-sample approaches.
Bergmeir et al. [4–6] suggest that for stationary time series one should use cross-
validation in a blocked form (CV-Bl). On the other hand, for real-world time series
with potential non-stationarities we conclude that approaches that maintain the tem-
poral order of data provide better error estimations. In particular, out-of-sample

23
applied in multiple testing periods (Rep-Holdout) is recommended. In the inter-
est of reproducibility, the methods and data sets are publicly available at https:
//github.com/vcerqueira/performance_estimation.

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Appendix

26
Table 1: Time series data sets and respective summary. The column p denotes the size
of the embedding dimension, I denotes the number of differences applied to
the time series to make it trend-stationary, and S represents whether or not
the de-trended time series is stationary (1 if it is).
ID Time series Data source Data characteristics Size p I S
1 Rotunda AEP Porto Water 3000 30 0 0
Half-hourly values from Nov. 11, 2015
2 Preciosa Mar Consumption from 3000 9 1 0
to Jan. 11, 2016
3 Amial different locations in the 3000 11 0 0
city of Porto [10]
4 Global Horizontal Radiation 3000 23 1 0
5 Direct Normal Radiation Solar Radiation Hourly values from Apr. 25, 2016 to 3000 19 1 1
6 Diffuse Horizontal Radiation Monitoring [10] Aug. 25, 2016 3000 18 1 1
7 Average Wind Speed 3000 10 1 0
8 Humidity 1338 11 0 0
9 Windspeed Bike Sharing [10] Hourly values from Jan. 1, 2011 1338 12 0 1
10 Total bike rentals Mar. 01, 2011 1338 8 0 1
11 AeroStock 1 949 6 1 1
12 AeroStock 2 949 13 1 0
13 AeroStock 3 949 7 1 1
14 AeroStock 4 949 8 1 1
Stock price values from
15 AeroStock 5 Daily stock prices from January 1988 949 6 1 1
different aerospace
16 AeroStock 6 through October 1991 949 10 1 1
companies [10]
17 AeroStock 7 949 8 1 1
18 AeroStock 8 949 8 1 1
19 AeroStock 9 949 9 1 1
20 AeroStock 10 949 8 1 1
21 CO.GT 3000 30 1 0
22 PT08.S1.CO 3000 8 1 0
23 NMHC.GT 3000 10 1 0
24 C6H6.GT 3000 13 0 1
25 PT08.S2.NMHC 3000 9 0 0
26 NOx.GT 3000 10 1 1
Air quality indicators in Hourly values from Mar. 10, 2004 to
27 PT08.S3.NOx 3000 10 1 0
an Italian city [25] Apr. 04 2005
28 NO2.GT 3000 30 1 0
29 PT08.S4.NO2 3000 8 0 0
30 PT08.S5.O3 3000 8 0 1
31 Temperature 3000 8 1 0
32 RH 3000 23 1 0
33 Humidity 3000 10 1 0

27
Table 2: Continuation of Table 1
ID Time series Data source Data characteristics Size p I S
34 Electricity Total Load 3000 19 0 1
35 Equipment Load 3000 30 0 1
Hospital Energy Hourly values from Jan. 1, 2016 to
36 Gas Energy 3000 10 1 1
Loads [10] Mar. 25, 2016
37 Gas Heat Energy 3000 13 1 1
38 Water heater Energy 3000 30 0 1
39 Total Demand Half-hourly values from Jan. 1, 1999 2833 6 0 1
Australian Electricity [22]
40 Recommended Retail Price to Mar. 1, 1999 2833 19 0 0
41 Sea Level Pressure 2534 9 0 1
Ozone Level Daily values from Jan. 2, 1998 to Dec.
42 Geo-potential height 2534 7 0 1
Detection [25] 31, 2004
43 K Index 2534 7 0 1
44 Flow of Vatnsdalsa river Daily, from Jan. 1, 1972 to Dec. 31, 1095 11 0 0
1974
45 Rainfall in Melbourne Daily, from from 1981 to 1990 3000 29 0 0
46 Foreign exchange rates Daily, from Dec. 31, 1979 to Dec. 31, 3000 6 1 0
1998
47 Max. temperatures in Mel- Daily, from from 1981 to 1990 3000 7 0 1
bourne
48 Min. temperatures in Mel- Daily, from from 1981 to 1990 3000 6 0 1
bourne Data market [19]
49 Precipitation in River Hir- Half-hourly, from Nov. 1, 1972 to Dec. 2928 6 1 0
nant 31, 1972
50 IBM common stock closing Daily, from Jan. 2, 1962 to Dec. 31, 1008 10 1 0
prices 1965
51 Internet traffic data I Hourly, from Jun. 7, 2005 to Jul. 31, 1231 10 0 1
2005
52 Internet traffic data II Hourly, from Nov. 19, 2004 to Jan. 27, 1657 11 1 0
2005
53 Internet traffic data III from Nov. 19, 2004 to Jan. 27, 2005 – 3000 6 1 0
Data collected at five minute intervals
54 Flow of Jokulsa Eystri river Daily, from Jan. 1, 1972 to Dec. 31, 1096 21 0 0
1974
55 Flow of O. Brocket Daily, from Jan. 1, 1988 to Dec. 31, 1461 6 1 0
1991
56 Flow of Saugeen river I Daily, from Jan. 1, 1915 to Dec. 31, 1400 6 0 0
1979
57 Flow of Saugeen river II Daily, from Jan. 1, 1988 to Dec. 31, 3000 30 0 0
1991
58 Flow of Fisher River Daily, from Jan. 1, 1974 to Dec. 31, 1461 6 0 1
1991
59 No. of Births in Quebec Daily, from Jan. 1, 1977 to Dec. 31, 3000 6 1 1
1990
60 Precipitation in O. Brocket Daily, from Jan. 1, 1988 to Dec. 31, 1461 29 0 0
1991
61 Min. temperature Daily values from Jan. 1, 2010 to Dec. 1456 8 0 1
Porto weather [10]
62 Max. temperature 28, 2013 1456 10 0 0

28

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