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Science of the Total Environment 548–549 (2016) 110–121

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Science of the Total Environment

journal homepage: www.elsevier.com/locate/scitotenv

Airborne castanea pollen forecasting model for ecological and


allergological implementation
G. Astray a,b, M. Fernández-González c, F.J. Rodríguez-Rajo c, D. López b, J.C. Mejuto a
a
Physical Chemistry Department, Faculty of Science, University of Vigo, 32004 Ourense, Spain
b
Department of Geological Sciences, College of Arts and Sciences, Ohio University, 45701 Athens, USA
c
Department of Plant Biology and Soil Sciences, Faculty of Sciences, University of Vigo, 32004 Ourense, Spain

H I G H L I G H T S G R A P H I C A L A B S T R A C T

• It was detected an increasing trend of


total annual Castanea pollen concentra-
tions.
• Castanea pollen relationships with pre-
cipitation and temperature were inves-
tigated.
• A strong relationship between pollen
and precipitation, and temperature
were found.
• The implemented models are based on
artificial neural networks (ANN).
• The results show that ANNs are a valid
tool to predict Castanea pollen.

a r t i c l e i n f o a b s t r a c t

Article history: Castanea sativa Miller belongs to the natural vegetation of many European deciduous forests prompting impacts
Received 24 September 2015 in the forestry, ecology, allergological and chestnut food industry fields. The study of the Castanea flowering rep-
Received in revised form 5 December 2015 resents an important tool for evaluating the ecological conservation of North-Western Spain woodland and the
Accepted 7 January 2016
possible changes in the chestnut distribution due to recent climatic change. The Castanea pollen production
Available online 20 January 2016
and dispersal capacity may cause hypersensitivity reactions in the sensitive human population due to the rela-
Editor: D. Barcelo tionship between patients with chestnut pollen allergy and a potential cross reactivity risk with other pollens
or plant foods. In addition to Castanea pollen's importance as a pollinosis agent, its study is also essential in
Keywords: North-Western Spain due to the economic impact of the industry around the chestnut tree cultivation and its
Castanea pollen beekeeping interest. The aim of this research is to develop an Artificial Neural Networks for predict the Castanea
Artificial Neural Networks pollen concentration in the atmosphere of the North-West Spain area by means a 20 years data set.
Modelling It was detected an increasing trend of the total annual Castanea pollen concentrations in the atmosphere during
Time series analysis the study period. The Artificial Neural Networks (ANNs) implemented in this study show a great ability to predict
Castanea pollen concentration one, two and three days ahead. The model to predict the Castanea pollen concen-
tration one day ahead shows a high linear correlation coefficient of 0.784 (individual ANN) and 0.738 (multiple
ANN). The results obtained improved those obtained by the classical methodology used to predict the airborne
pollen concentrations such as time series analysis or other models based on the correlation of pollen levels
with meteorological variables.
© 2016 Elsevier B.V. All rights reserved.

http://dx.doi.org/10.1016/j.scitotenv.2016.01.035
0048-9697/© 2016 Elsevier B.V. All rights reserved.
G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121 111

1. Introduction for bus arrival time prediction at bus stop with multiple routes (Yu
et al., 2011), vi) to assure the authenticity of food in an important
Castanea sativa Miller belongs to the natural vegetation of many wine Spain's region (Gómez-Meire et al., 2014). In recent years, neural
European deciduous forests. During the summer months, the tree network has been used successfully to forecast different bioaerosol par-
flowers (Rodríguez-Rajo et al., 2005) rising the atmospheric pollen ticles such as grass pollen in the Southern part of the Iberian Peninsula
levels as consequence of its mainly anemophilous behaviour (Jäger (Sánchez-Mesa et al., 2002), Betula pollen in different parts of Europe
and Litschaner, 1999). The Castanea pollen production is very high, in such us in Spain (Castellano-Méndez et al., 2005) or in Poland (Puc,
the order of 1000 to 1500 grains per anther, which results in 10–12 bil- 2012), or even Alternaria and Pleospora spore airborne concentrations
lion grains per tree released during the pollen season (Jato et al., 2001; in Central Italy (Tomassetti et al., 2013), etc.… In general, all ANN
Rudow and Conedera, 2001). Due to its small size the chestnut pollen is models present better results than other kinds of models like linear re-
easily transportable by the wind and clearly recognized as an example gressions, though the ANNs complexity is greater.
of medium and long-range pollen transport (Frei, 1997; García-Mozo An artificial neural network can model complex and non-linear pro-
et al., 2006; Rizzi Longo and Pizzulin Sauli, 2010). Its presence has cesses through different layers (input layer, intermediate layers and
been verified in areas without any nearby chestnut populations, exceed- output layer) trained by back propagation algorithm (Csépe et al.,
ing a distance of 100 km and 700 m of altitude a.s.l. (Frei, 1997; Peeters 2014), which is the most used algorithm to relate input variables to out-
and Zoller, 1988). In North-Western Spain, the Castanea pollen abun- put variables (Aznarte et al., 2007). The learning process of neural net-
dance and high dispersal capacity (Jato et al., 2001; Rodríguez-Rajo works is based on the relationship change between the different
et al., 2005) may cause hypersensitivity reactions in the sensitive neurons in neural network. The parameter that defines this relationship
human population due to its moderate allergenic capacity (Jäger and or importance value is called weight. The weight together with the bias
Litschaner, 1999; Cosmes Martín et al., 2005). Type I allergy to chestnut associated to each neuron, changes throughout the training process to
pollen represents a major cause of pollinosis in sub-Mediterranean adjust the outputs of the neural network to the value of the training
areas (Hirschwehr et al., 1993) due to its major allergen Cas a 1 sensiti- cases, allowing the neural network learning during the operations in
zation (Kos et al., 1993). The scientific interest in this taxon augmented the training phase (Venkatasubramanian et al., 2003). A number of
during recent years because available clinical data in the NW part of Ibe- data points is reserved for a validation of the results obtained in the
rian Peninsula shows an increase in skin reactivity from the 2–8% sensi- training phase. In this way we can see if the training phase produced a
tisation to Castanea pollen among pollinosis sufferers during the 1990's predictive model that is reliable.
(Arenas et al., 1996; Belmonte et al., 1998; Ferreiro et al., 2002) to 17% of The aim of this research is to develop an Artificial Neural Networks
sensitivity in the 2000's (Aira et al., 2000). Moreover, recent findings for predict the airborne Castanea pollen concentration during one, two
noted the relationship between patients with chestnut pollen allergy and three days ahead in the North-West Spain area.
and a potential cross reactivity risk with other pollens or plant foods
(Sánchez-Monge et al., 2006). The oral allergy syndrome is a distinctive 2. Material and methods
type of allergy to food resulting from direct contact between food and
the oral mucosa, normally affecting patients who are allergic to pollens 2.1. Study area
such as chestnut (Antico, 1996). In addition to Castanea pollen's impor-
tance as a pollinosis agent, its study is also essential in North-Western The study was carried out in Ourense, situated in a depression at
Spain due to the economic impact of the industry around the chestnut 139 m. a.s.l., in Northwestern Spain (42°20′N and 7°52′W). The climate
tree cultivation. Its fruit is collected, transformed and exported to differ- of Ourense is oceanic, with a strong Mediterranean influence. During
ent countries for human consumption. The chestnut tree is also of bee- the last 30 years, the region presents a mean annual temperature of
keeping interest because it characterizes the most of the important 14.2 °C, a minimum average temperature of 8.2 °C, and a maximum av-
honeys of the area (Seijo et al., 1997). Finally, the study of the Castanea erage temperature of 20.2 °C (Jato et al., 2007). Annual rainfall is
flowering represents an important tool for evaluating the ecological 794 mm, with very irregular distribution over the year; average sum-
conservation of North-Western Spain woodland and the possible mer rainfall is only 21.6 mm (Martínez Cortizas and Pérez-Alberti,
changes in the chestnut distribution due to hotter spring–summer tem- 1999). In biogeographic terms, the study area belongs to the Euro-
peratures in recent years (Jato et al., 2013). Siberian Region, Atlantic European Province and Cantabrian-Atlantic
During recent years forecasting airborne pollen concentrations is a Subprovince (Rivas-Martínez et al., 2002). The characteristic vegetation
hot topic (Aznarte et al., 2007) because the pollen allergy is a very com- is formed by the Holco mollis–Quercetum pyrenaica association with the
mon disease in European and world population. Consequently one of presence of Q. pyrenaica Willd., Q. suber L. and Q. robur L., within the tree
the Aerobiology targets is to obtain predictive models for the airborne stratum, and C. sativa as an accompanying species. Castanea cultivation
pollen concentrations (Sánchez-Mesa et al., 2002). Nowadays, there is widespread in this region, forming dense forests especially in areas
are advanced techniques such as Artificial Neural Networks (ANN here- between 600 and 900 m above sea level.
after) or the Support Vector Machines (SVM) that have also been used
for forecasting air quality parameters (Csépe et al., 2014). ANNs are a 2.2. Aerobiological survey
computational method formed by individual cells that perform compu-
tational calculations similar to the way the human brain works, learning A Hirst-type LANZONI VPPS 2000 volumetric 7-day recording sam-
from training data (Sánchez-Mesa et al., 2002). Multi Layer Perceptron pler (Hirst, 1952) was used to collect the airborne pollen from 1993 to
(MLP) Neural Network is a particular case of ANN, the most successful 2012. The sampler was situated on the roof of the Sciences Faculty (ap-
implementation, and it is applied in environmental science to develop proximately 20 m above ground level). The sampler is calibrated to han-
predictive models (Csépe et al., 2014). ANNs are used in very different dle a flow of 10 l of air per minute, thus matching the human breathing
fields such as; i) Engineering, for example to study the solar energy po- rate. Pollen grains impact on a cylindrical drum covered by Melinex film
tential in Turkey (Sözen et al., 2005), or to predict the fracture parame- coated with a 2% silicon solution as trapping surface. The drum was
ters of concrete (Ince, 2004), ii) in Computer Science for estimating the changed weekly, and the Melinex film coated was cut into seven pieces
effort required for developing an information system (Heiat, 2002), iii) and placed in separate glass slides (Galán et al., 2007). Daily values were
in Hydrology for predict the river flow forecast in reservoir manage- expressed as number of pollen grains per cubic metre of air. Pollen grain
ment (Baratti et al., 2003), or used in hybrid systems model for river identification was performed using a microscope equipped with a 40×/
flow forecasting (Araujo et al., 2011; Toro et al., 2013), iv) in Medicine 0.95 lens. Pollen counts were conducted using the model proposed by
for gene expression data analysis (Tan and Pan, 2005) v) in daily life the R.E.A., consisting in four continuous longitudinal traverses along
112 G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121

the 24-h slide (Galán et al., 2007). The following Atmospheric Pollen layer (o) to generate a final predicted value in the output layer (yo)
Season (APS) characteristics were analysed: first and last dates, length, (Fig. 1). Different activation functions are used in research but the
maximum pollen count and date recorded, and total pollen. The APS most usually are the sigmoidal function (Banakar and Azeem, 2008),
was calculated as 95% of the annual total pollen, the first days, produc- that we used in this study and in another study conducted by our re-
ing up to 2.5% of total production, were removed from the calculations search group (Gonzalez-Temes et al., 2013), (Eq. (3)).
as well as the final days (from 97.5 to 100.0% of total production)
(Andersen, 1991). 1
yo ¼ ð3Þ
1 þ e−So
2.3. Meteorological survey
We develop a predictive model based in artificial neural network to
The daily meteorological data used (maximum, mean, and mini- calculate the Castanea pollen concentration in one ([Castanea + 1]), two
mum temperatures; relative humidity; rainfall, solar radiation and ([Castanea + 2]), and three days ahead ([Castanea + 3]) from thirteen
wind speed and direction) were supplied by automatic station of the variables; i) Julian day (Day), ii) precipitation (P), iii) humidity (H),
Spanish Meteorological Agency (AEMET) from a weather station located iv) maximum temperature (Tmax), v) minimum temperature (Tmin),
in roof of Ourense Science Faculty (42° 50'N, 7°51'W) at 10 m of the vol- vi) average temperature (Tav), vii) solar radiation (S), viii) hours with-
umetric sampler. out winds or calm (C), ix–xii) four wind directions; Northeast (W1),
Southeast (W2), Southwest (W3) and Northwest (W4), and finally,
2.4. Artificial neural networks xiii) pollen concentration at day zero ([Castanea]).
All developed models will be named, with a feature terminology, to
2.4.1. Neural network model training facilitate their identification. We normally used the following terminol-
The first step to develop a neural network model is to choose the ogy (Astray et al., 2013; Astray et al., 2014): Nin − (N1 − N2 − N3) −
training and validation cases for the different neural networks that we Nout, Nin and Nout are the input and output layer, and N1, N2 and N3
will be deployed. In this study, we used data collected between 1993 are the neurons in the first, second and third intermediate layer (Fig. 1).
and 2012. The bulk of training cases are formed by data collected be-
tween 1993 and 2010. Then, to validate the different neural networks 2.4.2. Identification of the best neural network
models implemented, we have reserved the data collected in years As we develop predictive models we perform the calculations of the
2011 and 2012. fits for each neural network model to guide the training process at all
Once we have chosen the different cases comprising each stage of time. To determine the power of adjustment various parameters are cal-
development of the neural network, we proceed to the development culated for training and validation phase for each implemented neuro-
of the various models based on trial and error technique. During the de- nal network model. We calculated the Root Mean Square Error
velopment of these models, the neural network is able to learn from the (RMSE) (Equation 4) and the Average Percentage Deviations (APD)
training cases and extrapolate this knowledge to previously reserved (Eq. (5)) that they are most commonly used parameters in our depart-
cases (untrained cases). These cases, validation cases, will allow us to ment in Ourense.
see the true power of prediction of artificial neural networks. vffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
u
Artificial Neural networks base their predictive power in the large uX N  2
u
number of interconnections between each of the different neurons u ½Castaneapred −½Castaneareal
t i¼1
that comprise the neural systems (input neurons, intermediate neurons RMSE ¼ ð4Þ
or output neurons). Each of these neurons is connected to the neurons N
of the preceding layer and subsequent layer throughout an algorithm
N ½Castanea
X !
that enables network learning based on the training cases. All training  pred −½Castaneareal 
 ½Castanea   100
and validation processes of the different neural networks have been im- i¼1 real
APD ¼ ð5Þ
plemented in a HP ProLiant Server with an Intel Xeon processor with N
RAM memory of 8 GB.
The training of the neural network starts with the introduction of the The aim of this study is to implement prediction model based on Ar-
information in the first layer of the neural network (input layer, formed tificial Neural Networks, to predict the output variable. Choosing the
by input neurons). The information, constituted by the training cases is best neural network should be based on the lowest RMSE in validation
entered as a vector (Eq. (1)) and it is propagated to the first intermedi- phase because these cases, as stated above, can help us to understand
ate layer by the propagation function (Eq. (2)) (Fig. 1). how the network behaves with unknown cases.

x ¼ ðx1 ; x2 ; x3 ; …; xn Þ ð1Þ 2.5. Time series analysis

X
M A time series is a sequence of data points measured at regular time
Sn ¼ wmn xm þ bn ð2Þ intervals, for example, in our case daily. With the time series analysis
m¼1 we tried to find an auto-correlation within the variable (using just a sin-
gle time series — univariate) or to find a cross-correlation between dif-
The propagation function (implemented in each intermediate and ferent measured variables (using several series simultaneously —
output neuron) collects the information from the input case (training multivariate analysis) (Sahu et al., 2009). Auto-correlation function con-
values) and converts all this information into a single signal (single re- sidered the relationship between time series data (is imperative that
sponse). The input values from input neurons (M) is processed with not miss any data point in this series) and provides information about
the weight (wmn, value of the importance) of the connection linking the influence of events in the time series data (Sahu et al., 2009) using
the intermediate neuron (n) with the previous neuron (m) from the auto-correlation value ranging between − 1 and 1 over the time
which the information comes, and with the bias value (bn), associated lag. The auto-correlation slope has different behaviour depending on
to the intermediate neuron n. The single data response is treated by how the variable influence behaves over time and if the variable is cyclic
the activation function (implemented in each intermediate and output or not, when the changes in the variable takes a long time to dissipate,
neuron) to provide an output neuron signal (yn) (Gopalsamy, 2004). the slope of the autocorrelogram is low, while when the event has a
This process is repeated for all neurons in intermediate (n) and output short influence, the slope decreases rapidly (Lee and Lee, 2000; Sahu
G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121 113

Fig. 1. Diagram of a neural network topology 13-5-3 and operation procedure of an intermediate artificial neuron.

et al., 2009). In an autocorrelogram, the time that the correlation coeffi- correlation function shows relationship between two variables. The
cient takes to reduce to zero is the time that the effect of a change in the cross-correlation value ranging between − 1 and 1 over the time lag
variable last in the system and it is called the regulation time. The cross- that determines the transfer velocity of the studied system (influence

Fig. 2. A — Auto-correlation functions for Castanea pollen (continuous line), precipitation (dot line) and maximum temperature (dash line) and B — Magnified portion of the auto-
correlation functions from zero to 120 days.
114 G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121

Fig. 3. A — Cross-correlations functions for precipitation and Castanea pollen (line) and cross-correlation function for maximum temperature and Castanea pollen (dash-dot line), and B —
Magnified portion of the cross-correlation functions.

of events) (Sahu et al., 2009). In this study, auto-correlation and cross- the atmosphere. Therefore, this wide range of variations in the Castanea
correlation functions were applied to study Castanea pollen concentra- pollen concentrations detected during the last years associated to the
tion in Ourense using the time series data for Julian day, Castanea pollen medium and long-range pollen transport ability of the chestnut pollen
concentration, precipitation and maximum temperature. For auto- make difficult the development of accurate prediction models
correlation and cross-correlation analysis we used the computer pro- (Rodríguez-Rajo et al., 2005).
gramme PAST (Hammer et al., 2001). It should be noted that in previous studies (Iglesias-Otero, 2013), the
inclusion of Castanea pollen from previous days as input variables pollen
3. Results and discussion concentrations was studied, however the results don't improve the
models presented in this paper. This may be due to introducing more
Castanea pollen is found in the North-Western Spain atmosphere input variables the system, including more noise in the system, and
during three months in the summer, and represents between 5% and due this the artificial neural is not able to correctly generalize.
7% of total annual pollen. The pollination period is lengthy, with an av-
erage of 66 days, and a trend to increase during the last years. The chest- 3.1. Time series analysis of pollen concentration
nut Atmospheric Pollen Season (APS) begins around the first days of
June and ends at the middle of August. The highest concentrations are Classical correlation models use uni-dimensional nonlinear equa-
normally attained in early July, with a maximum peak attained on July tions and the variables with the greatest prediction capacity
8th 2011. There were also fluctuations in the total pollen values during (Rodríguez-Rajo et al., 2010). An auto-correlation analysis and cross-
the years under study, with a minimum of 450 total pollen registered correlation analysis were applied over a period 2006–2008. Due to the
during the APS in 1998, and a maximum of 3105 total pollen during large amount of data unavailable, it has been possible to study only
the 2012 pollen season. During the last decade of the past century a de- the period 2006–2008 and only for variables, Julian day, Castanea pollen,
cline in the Castanea plants population has been observed as conse- precipitation and maximum temperature. Thus, the studied period was
quence to blight caused by Phytophtora cambivora and Phytophtora of three years. In Fig. 2 and Fig. 3 we can see the auto-correlation and
cinnamomi. The recent economical increasing interest about its cultiva- cross-correlation analysis of these three variables. The variables
tion as well as the grafting stocks of resistant species to the fungus used, analysed in this section are those that should have more influence on
C. crenata Siebold & Zucc. (Silva and Rigueiro, 1992), prompted an in- the prediction of Castanea pollen one, two and three days ahead.
creasing trend of the total annual Castanea pollen concentrations in These variables were chosen considering the results provided by other

Fig. 4. A — Cross-correlations functions for Castanea pollen vs. Castanea one day ahead (continuous line), Castanea vs. Castanea two days ahead (dot line) and cross-correlation function for
Castanea vs. Castanea three days ahead (dash line), and B — Magnified portion of the cross-correlation functions.
G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121 115

studies reported in literature (Sánchez-Mesa et al., 2002; Csépe et al., time for the appearance of the peak auto-correlation are probably due to the
2014), and taking into account that in order to perform time series anal- effect of all the other variables, such as precipitation and wind velocity. In
ysis is necessary to have all data for the selected variable. terms of precipitation auto-correlation function, as excepted, decreases
In Fig. 2A we can see the auto-correlation function for Castanea pol- much faster than the Castanea pollen auto-correlation function going from
len, precipitation and maximum temperature. We can see in Fig. 2A that 0.240 to zero in just 14 days. In this sense we can see as the precipitation
the auto-correction for Castanea pollen decreases rapidly to 0.828 after auto-correlation function does not show a marked seasonality as in the case
one day and reach zero value in approximately 35 days. We can see in the of pollen auto-correlation. Finally, we can see how the temperature auto-
same auto-correlation function that the distance between two Castanea correlation function decreases slowly, obviously the temperature is influ-
maximum peaks register a correlation value of 0.674. The position of these enced by the seasons, and it shows a perfect seasonal regularity (lag between
peaks and their different size, suggests that the Castanea pollen is close to peaks 365 days). In Fig. 2B we can see a magnified section for the first days of
the seasonality of 365 days and that the variability in the Castanea pollen con- the auto-correlation functions and we can appreciate more clearly the differ-
centration in these two years is significant (0.828 vs. 0.674). The differences in ent slopes of each auto-correlation functions.

Fig. 5. Predicted values of individual ANN versus real values of Castanea pollen during the validation years 2011 and 2012 to one day ahead (A and B), two days ahead (C and D) and three
days ahead (E and F).
116 G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121

To identify the relationship between Castanea pollen and the other shows a weak inverse correlation at zero lags suggesting that precipita-
two variables; precipitation and maximum temperature, different tion reduces slightly the concentration of pollen in the air. Finally, cross-
cross-correlation functions were calculated (Fig. 3). The cross- correlation function for maximum temperature and Castanea pollen
correlation function in Fig. 3 shows the cross-correlation coefficient vs. show a positive cross-correlation at zero lag (0.347, p = 2.58 · 10−32)
lag time between two variables; i) Precipitation-Castanea pollen and and at 313 to 353 lags, and a high negative cross-correlation value in
ii) Maximum temperature-Castanea pollen. the region of Julian day between 169 (−0.326 and p b 0.001) and 201
The cross-correlograms show that the correlation coefficient be- (−0.311 and p b 0.001). These values suggest that high pollen concen-
tween precipitation-Castanea pollen has a maximum cross-correlation tration are related to high temperatures and the lag for the second max-
values around 0.105 (p = 2.12 ∙ 10− 3) in the 240th Julian day, and a imum and the minimum show the seasonal yearly effect. The highest
minimum − 0.094 at lag 1 with p = 1.83 · 10− 3. Precipitation does concentration of pollen days occur when the temperature increases pro-
not show a great influence on Castanea pollen concentration but moting pollen explosions.

Fig. 6. Predicted values of multiple ANN versus real values of Castanea pollen during the validation years 2011 and 2012 to one day ahead (A and B), two days ahead (C and D) and three
days ahead (E and F).
G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121 117

Table 1 As mentioned above, we have concentration data and climatological


Characteristics of the main pollen season (MPS) of Castanea (1993–2012): starting Julian measurements from 1993 to 2012. In theory we have a matrix
day (S), ending Julian day (E), length in days (L), average value (Av), maximum value
(Max), day of the maximum (DMax), total concentration in the main pollen season (Ts)
7.305 × 14 with a total of 102270 data, however, there are some
and annual concentration (T). empty registers due to lack of measurement of pollen concentration
or just a bug in the data meteorological station that, in a specific mo-
S E L (Av) (Max) DMax Ts T
ment did not record any of the variables. Initially, we developed neural
1993 167 223 57 24 78 189 1345 1392 networks with data available every day but this approach made the
1994 163 224 62 16 77 194 975 982
training phase difficult for different neural networks implemented as
1995 152 213 62 13 71 176 831 851
1996 162 232 71 12 67 195 886 890 the training was very prolonged in computer time. The neural network
1997 148 211 64 10 86 185 667 672 models did not converge and/or their fits were no satisfactory. Seeing all
1998 162 214 53 8 45 193 450 450 this problems another strategy were tried. We proceeded to use only
1999 166 207 42 25 181 191 1038 1042 data from pollen seasons, adding a safety margin, because the remain-
2000 164 220 57 13 66 177 635 637
2001 160 214 55 12 112 181 673 679
der of the year the pollen concentration is practically zero and allergic
2002 165 217 53 29 193 196 1558 1573 periods are not reported. In this study we used data collected between
2003 154 195 42 13 86 174 529 543 Julian day 120th and 270th.
2004 158 207 50 15 69 187 657 662 Our first option was to implement neural network models to predict
2005 162 209 48 33 318 188 1584 1636
individual outputs separately, that it is, pollen concentration at one, two
2006 150 243 94 19 138 192 1784 1792
2007 150 237 88 16 105 192 1336 1357 and three days head. However, we tried to develop other models to cal-
2008 161 245 85 27 212 197 2335 2349 culate simultaneously the different pollen concentrations (called multi-
2009 152 236 85 17 106 189 1418 1442 ple neural networks) similar to those conducted by Iglesias-Otero
2010 163 228 66 35 206 187 2291 2312 (Iglesias-Otero, 2013). In this article, we will implement individual
2011 140 242 103 24 362 180 2467 2495
models and joint models, and then compare the results to see which
2012 170 246 77 40 209 197 3105 3256
gives less errors.
Average 158 223 66 20 139 188 1328 1351 For this study we have implemented over one thousand two hun-
Maximum 170 246 103 40 362 197 3105 3256
dred neural network models with different input variables, different ar-
Minimum 140 195 42 8 45 174 450 450
chitectures and training cycles, with the aim to identify the best neural
network model.
To determine the most acceptable prediction window Castanea pol-
len we studied the cross-correlation functions for Castanea variables. In
the Fig. 4, the cross-correlation functions for this three pair of variables, 3.2.1. Training phase of ANNs
Castanea vs. Castanea one, two, and three days ahead. The cross- When all different neural networks were implemented we
correlation value decrease from 0.828 (p b 0.001) for one day ahead to proceeded to calculate the fit for each one. Table 2 shows the best imple-
0.657 (p b 0.001) for three days ahead. These results show that we mented neural network for individual and multiple neural network for
can predict a Castanea Pollen Concentration with an accuracy of 65.7% one, two, and three days ahead for training phase (1993–2010). We
three days ahead if we know the pollen concentration for day one. The can see, in Table 2, the linear fit coefficient (R2T) and the Root Mean
accuracy four days ahead fall to 60.9%. We assume that a prediction win- Square Error (RMSET). The individual neural networks present a good
dow with an accuracy of 65.0% is the minimum permissible. R2 coefficient, between 0.851 for one day ahead and 0.851 for three
days ahead. In terms of RMSE the values vary between 8.026 pollen/
m3 for one day ahead to 11.877 pollen/m3 for three days ahead. These
3.2. Artificial Neural Networks neural network present different topologies, and different training cy-
cles, with the exception of the two and three days ahead that's present
Develop an artificial neural networks for predicted pollen concentra- the same training cycles. In the cases of multiple neural networks, we
tion requires a great implementation of networks, using trial and error can see that the neural network to predict the pollen concentration to
method, to obtain a group of Neural Network with good fits to deter- one, two and three days ahead is the same, namely, a neural network
mine with the best accuracy the pollen concentration one, two, and with thirteen neurons in the input layer, twenty-eight neurons in the in-
three day ahead. termediate layer and three neurons in the output layer.

Table 2
Fits for training phase of best neural networks for each output (best fits in grey shadow). Topology is to the internal structure of neural network (Architecture), Cycles are the number of
training cycles for this neural network, R2T is the square correlation coefficient and RMSET is the root mean square error for training phase (pollen/m3). The subscripts correspond to the
prediction window one, two and three days ahead.

Individual neural networks


Topology Cycles R2T + 1 R2T + 2 R2T + 3 RMSET + 1 RMSET + 2 RMSET + 3
13–24–1 6,400 0.851 8.026
13–25–1 25,600 0.859 9.640
13–28–1 25,600 0.851 11.877

Multiple neural networks


2
Topology Cycles R T+1 R2T + 2 R2T + 3 RMSET + 1 RMSET + 2 RMSET + 3
13–28–3 128,000 0.812 0.798 0.807 9.169 9.536 9.316
13–28–3 128,000 0.812 0.798 0.807 9.169 9.536 9.316
13–28–3 128,000 0.812 0.798 0.807 9.169 9.536 9.316
118 G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121

Table 3
Fits for validation phase (average for 2011 and 2012) of best neural networks for each output (best fits in grey shadow). Topology is to the internal structure of neural network (architec-
ture), Cycles are the number of training cycles for this neural network, R2V is the square correlation and RMSEV is the root mean square error for validation phase (pollen/m3). The sub-
scripts correspond to the prediction window one, two and three days ahead.

Individual neural networks


Topology Cycles R2V + 1 R2V + 2 R2V + 3 RMSEV + 1 RMSEV + 2 RMSEV + 3
13–28–1 400 0.784 22.596
13–7–1 25,600 0.584 32.393
13–19–1 200 0.489 34.796

Multiple neural networks


Topology Cycles R2V + 1 R2V + 2 R2V + 3 RMSEV + 1 RMSEV + 2 RMSEV + 3
13–26–3 1,000 0.738 0.453 0.367 26.154 33.472 34.773
13–4–3 128,000 0.659 0.590 0.516 30.810 33.383 34.381
13–3–3 3,500 0.621 0.561 0.570 26.591 28.948 30.270

3.2.2. Validation phase of ANNs significant change in Castanea pollen prediction three days ahead. In
The results obtained for the training phase, can be said to be good, this case, individual ANN+3 presents a R2 of 0.489, that's significantly
both for a day, two or three days ahead, however, the main purpose of less than the R2 for multiple ANN+3, 0.570, and they present a large dif-
this study is to develop a model that is able to determine the concentra- ference in terms of RMSE (34.796 vs. 30.270).
tion of Castanea pollen for cases not previously analysed, that is, for the If we consider separately the behaviour for two-year validation
validation cases (2011 and 2012). We proceeded in the same manner (Table 4), we can see the adjustments for the different implemented
and we identified the best neural network for validation cases models differ substantially depending of validation year. Castanea
(Table 3). In this Table, we can see the fits for validation phase have, pollen concentration depends from the year because the different
as expected, worse fits than the best neural networks implemented in years present different start and final dates (atmospheric pollen
the training phase (Table 2). season), influenced by meteorological variables often with great
We can see that the networks offer better results for the validation variability, this explains the large difference between the fittings
phase differ clearly the best result available for the training phase. As ex- of the years 2011 and 2012. The fittings have the highest predictive
pected, the adjustments for the different days differ. The best results are power for one day ahead, on average to one day have a correlation
obtained for ANN+1 obtaining good results in terms of R2, 0.784 for in- coefficient of 0.784 (0.873 in 2011 and 0.714 in 2012) with an aver-
dividual ANN, and 0.738 for multiple ANN. As we increase the prediction age RMSEV of 22.596 pollen/m3 (17.387 in 2011 and 26.553 in 2012)
window, the adjustments down to reach a coefficient of determination and, as can be seen in Fig. 5A–B, the fits for validation year 2011 are
of 0.489 and 0.570 for individual and multiple ANN+3, respectively. good compared to the validation year 2012. Fig. 5C, D, E and F
In general, the individual networks show best fits than multiple net- present the fits for ANN+ 2 and ANN+ 3 and present a underperform
works. A clear case is the ANN one day ahead, where the individual net- fit due to the increase of the prediction window. Note that the
works presents better fits in terms of R2 (0.784 vs. 0.738). In cases for maximum values are underestimated when we expand the time
ANNs two days ahead, we can confirm that they have similar power pre- window.
diction in terms of determination coefficient (0.584 vs. 0.590), in terms If we consider the behaviour of multiple ANN we can see the ad-
of root mean square error the individual ANN+2 presents better fits justments for the different implemented models differ substantially
than multiple ANN+ 2 (32.393 vs. 33.383). Nevertheless, there is a compared with the individual ANN (Fig. 5 and Fig. 6). This behaviour

Table 4
Fits for validation phase (2011 and 2012) of best neural networks for each output (best fits in grey shadow). Topology is to the internal structure of neural network (architecture), Cycles
are the number of training cycles for this neural network, R2V is the square correlation and RMSEV is the root mean square error for validation phase (pollen/m3). The subscripts correspond
to the prediction window one, two and three days ahead.

Individual neural networks


2011 2012
Topology Cycles R2V + 1 R2V + 2 R 2
V+3 R2V + 1 R2V + 2 R2V + 3
13–28–1 400 0.873 0.714
13–7–1 25,600 0.603 0.571
13–19–1 200 0.406 0.570

Multiple neural networks


2011 2012
Topology Cycles R2V + 1 R2V + 2 R2V + 3 R2V + 1 R2V + 2 R2V + 3
13–26–3 1,000 0.760 0.434 0.370 0.719 0.513 0.441
13–4–3 128,000 0.573 0.507 0.425 0.739 0.666 0.599
13–3–3 3,500 0.530 0.474 0.518 0.731 0.660 0.632
G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121 119

Table 5
Importance (%) for input variable i) Julian day (Day), ii) precipitation (P), iii) humidity (H), iv) maximum temperature (Tmax), v) minimum temperature (Tmin), vi) average temperature
(Tav), vii) solar radiation (S), viii) hours without winds or calm (C), ix-xii) four wind directions; Northeast (W1), Southeast (W2), Southwest (W3) and Northwest (W4), xiii) Castanea pol-
len concentration of actually day ([Castanea]) for the best ANN implemented to predict Castanea pollen concentration one ([Castanea +1]), two ([Castanea +2]), and three days ahead
([Castanea +3]).

Variable Individual networks Multiple networks

[Castanea+1] [Castanea +2] [Castanea +3] [Castanea +1] [Castanea +2] [Castanea +3]

Day 14.669 14.177 25.640 12.431 26.894 30.181


P 2.660 6.452 1.601 6.059 5.895 5.120
H 4.790 8.408 2.547 6.431 7.819 5.048
Tmax 5.120 5.966 3.111 5.574 3.071 7.528
Tmin 5.024 3.945 11.627 7.156 4.229 3.311
Tav 3.731 4.092 4.789 3.477 4.534 9.649
S 11.338 8.182 3.799 5.495 3.652 0.848
C 8.419 9.122 2.686 7.656 7.919 7.498
W1 9.853 9.424 3.108 9.729 5.359 10.712
W2 3.726 8.108 0.393 3.798 5.210 6.213
W3 3.140 7.831 2.313 4.860 5.980 3.819
W4 10.576 4.433 9.702 6.822 5.541 2.581
[Castanea] 16.954 9.860 28.682 20.512 13.897 7.491

may be due to that the better prediction networks are, generally, and achieve this, we must consider the weights between input layer to in-
based on our experience, ANNs with a single output. For predictions termediate layer, and from them, to determine the importance (in
one day ahead the results are worse than in the case of individual term of percentage) for each variable (Table 5).
networks (Table 4), in the case of two day prediction, we can say The importance of variables vary between individual ANN, Fig. 7
that the adjustments are similar, in average terms, nevertheless for to the left, and multiple ANN, Fig. 7 to the right, besides this, the im-
prediction three days ahead multiple network presents better results portance change with the time window prediction for Castanea pol-
than the individual network (0.489 vs. 0.570, in terms of R2 , and len concentration. This variation of the importance on input
34.796 vs. 30.270 in terms of RMSE, Table 3). The possible reason to variables can be clearly seen in when we represent it in a scatter
this is the less influence for variables Julian day, and pollen concen- plot, in Figures below we can see that the most important variables
tration. The improved for adjustments three days ahead is clearly to predict the Castanea pollen concentration, one, two and three
visible in the Fig. 6E–F. days ahead, are Julian day and Castanea pollen. The rest of input var-
It is visible that predicted values for the Castanea peaks are iables have an importance between 12 and 0.39% (Table 5), besides
underestimated. ANN are able to model behaviour between ranges of this, we can see that the Julian day is more important to predict
values used in training phase, but for unknown conditions the ANN Castanea pollen concentration in multiple ANN than in individual
model presents a poor extrapolation (Kordon, 2010). The prediction is ANN (Table 5 and Fig. 7).
underestimated due to the nature of the data used to develop the Sánchez-Mesa et al. (2002) developed an ANN model to predict
model. The pollen concentration data for validation phase are higher daily grass pollen concentration one day ahead, in the southern part of
than for training years (Table 1). In fact, inside the twenty highest values the Iberian Peninsula, with a certain accuracy degree using previous
of data collected, twelve of them are validation data. For this reason, meteorological parameters and pollen variables. They can observe that
when the model try to predict pollen concentration for anomalous the best results were obtained with artificial neural networks instead
years (with peaks higher than training peaks), the model is not able to of other models such as linear regressions. In this ANN model, we can
predict with accuracy these peaks. observe good accuracy around 90% (Sánchez-Mesa et al., 2002). The
As discussed above, we have been used thirteen input variables for most important variable for the model developed is the pollen values
all neural networks developed because they can tell us that the most im- of previous days (Sánchez-Mesa et al., 2002). The same behaviour is ob-
portant variables to predict each Castanea pollen concentrations. To served in our model to predict the Castanea pollen concentration one

Fig. 7. Variation of importance for each input variable for Castanea pollen prediction for one, two, and three days ahead by individual ANN (to the left) and multiple ANN (to the right).
120 G. Astray et al. / Science of the Total Environment 548–549 (2016) 110–121

day ahead. When the time windows decrease, the importance value de- make it difficult to apply prediction models. However, the three dif-
creased, generally. Iglesias-Otero et al. (2015) develop three different ferent models obtained can be used, is recommended to optimize the
neural network models to predict Plantago pollen in northwestern model with the addition of new experimental data of subsequent
part of Spain, with one, two and three days ahead. The ANN models pre- years.
sented good correlation coefficients for one day ahead (0.669) and de-
creased gradually for two (0.573), and three days ahead (0.464). This
demonstrated that pollen prediction suffers a decrease in prediction ac- Acknowledgments
curacy when the prediction window is increased (Iglesias-Otero et al.,
2015). The most important variables to predict pollen concentration, Astray G. thanks Xunta de Galicia, Consellería de Cultura, Educación
one day ahead, were Julian day and pollen concentration, while to pre- e Ordenación Universitaria, for the Postdoctoral grant (Plan I2C),
dict pollen concentration two days ahead were Jualian day and rainfall P.P.0000 421S 140.08.
(Iglesias-Otero et al., 2015). The same behaviour is observed in our
model to predict the Castanea pollen concentration one day ahead. In References
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