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Evaluation of a radial base function neural

network for the determination of wheat quality
from electronic nose data

Article in Sensors and Actuators B Chemical October 2000

DOI: 10.1016/S0925-4005(00)00485-8

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 Sensors and Actuators B 69 2000. 348358
www.elsevier.nlrlocatersensorb

Evaluation of a radial basis function neural network for the

determination of wheat quality from electronic nose data
Phillip Evans a , Krishna C. Persaud a,) , Alexander S. McNeish b, Robert W. Sneath c ,
Norris Hobson c , Naresh Magan d
a
Department of Instrumentation and Analytical Science (DIAS), Unersity of Manchester Institute of Science and Technology (UMIST), Chemistry Tower,
Faraday Building, Sackille Street, Manchester, M60 1QD, UK
b
Osmetech plc, Electra House, Electra Way, Crewe, CW1 6WZ, UK
c
Silsoe Research Institute, Wrest Park, Silsoe, Bedford, MK45 4HS, UK
d
Cranfield Biotechnology Centre, Cranfield Uniersity, Cranfield, Bedfordshire, MK43 0AL, UK

Received 14 October 1999; accepted 8 February 2000

Abstract

Odorous contaminants in wheat have been detected using a conducting polymer array. A radial basis function artificial neural network
RBFann. was used to correlate sensor array responses with human grading of off-taints in wheat. Wheat samples moulded by artificial
means in the laboratory were used to evaluate the network, operating in quantitative mode, and also to develop strategies for evaluating
real samples. Commercial wheat samples were then evaluated using the RBFann as a classifier network with great success, achieving a
predictive success of 92.3% with no bad samples misclassified as good in a 40-sample population 24 good, 17 bad. using a training set
of 92 samples 72 good, 20 bad.. q 2000 Elsevier Science S.A. All rights reserved.

Keywords: Radial basis function; Artificial neural network; Electronic nose; Wheat quality; Sensors; Conducting polymers.

1. Introduction or surrogate odours against which malodorous samples

Cereal grains, wheat in particular, represent one of the
most important crops in global terms. There is a significant
requirement to ensure the organoleptic quality of such
crops to ensure good commercial returns and ensure safety
of the product w1,2x.
Often, the initial screening procedure is on the basis of
an inspectors or buyers olfactory perception. However,
this is a subjective measurement and is unsuitable in
modern agricultural economies where large financial gains
and loses can be made as a result of changing the grading
of a crop.
The European ISO605 standard and American United
States Department of Agriculture USDA. grain grading
procedures in place relate to the odour determination of
grains but these are vague and do not define any standard
)
Corresponding author. Tel.: q44-161-200-4912; fax: q44-161-200-
4879.
E-mail address: krishna.persaud@umist.ac.uk K.C. Persaud..
may be compared or against which inspectors and buyers
can be trained w35x. Attempts have been made to qualify
some of the odour descriptors used in the industry to
describe malodorous samples but a consensus has not yet
been reached, even for the most typical malodours w6x.
Consequently, there are strong commercial reasons for
developing an odour sensing system for the determination
of grain quality at points of transfer and purchase.
Allied to and perhaps more important than commercial
considerations are the health and safety aspects involved in
sniffing grain. Concurrent with the well-documented po-
tential mycotoxin dangers are the chronic respiratory dan-
gers associated with exposure to small particulates and
possibly toxic volatile organic compounds w2x.
Fungal contamination is the major problem leading to
downgrading or rejection of grain. This is usually as a
result of poor or inadequate storage after harvesting. Grain
affected in this way is often described as being musty or
sour smelling. Early detection of fungally infected grain
can in some cases be remediated and the crop saved.

0925-4005r00r$ - see front matter q 2000 Elsevier Science S.A. All rights reserved.
PII: S 0 9 2 5 - 4 0 0 5 0 0 . 0 0 4 8 5 - 8
 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
Numerous studies have been carried out that have inves-
tigated the association between fungal infections, storage
conditions and the volatiles evolved by the various species
of fungi w79x.
A number of workers have already reported attempts at
measuring cereal grain quality, specifically wheat, using
volatile chemical sensor array based technologies w1014x.
Our approach has been to evaluate wheat moulded under
controlled conditions using a variety of sampling ap-
proaches and then to develop suitable sensors and proto-
cols for in-linerat-line monitoring of grain at the point of
transfer. For the task at hand, there is a need to map the
sensor array response to human organoleptic parameters
that determine whether a particular wheat sample is to be
accepted or rejected w6x. In addition, there is a requirement
for any system developed to provide a rapid and reliable
answer to the operatorrinspector. The system must be
robust and reliable with a minimum of maintenance and
data interpretation and also operate in real time.
A variety of pattern recognition techniques including
neural networks may be applied to the classification of
different odours and quantitative prediction and recogni-
tion of unknown gases and odours. Backpropagation, a
model of multilayer perceptron networks, is probably the
most widely used neural network paradigm. One disadvan-
tage of this model is the difficulty in classifying a previ-
ously unknown pattern that is not classified to any of the
prototypes in the training set. This paper focuses on the
application of a rapid data interpretation system using a
radial basis function artificial neural network RBFann. to
map grain odour to human organoleptic perception w1517x.
RBF networks train rapidly, usually orders of magni-
tude faster than backpropagation, while exhibiting none of
backpropagations training pathologies such as paralysis or
local minima problems. A RBF network w15x is a two-layer
network where the output units form a linear combination
of the basis functions computed by hidden units Fig. 1..
The basis functions in the hidden layer produce a localised
Fig. 1. Schematic network to represent the basic RBFann architecture,
where x 1 , x 2 . . . x m are input neurones with the non-linear function
embedded in the hidden layer, and S is the linear combiner l1 lc are
the hidden layer outputs, l0 is the weighting factor..
349
response to the input and typically, uses hidden layer
neurones with Gaussian response functions:
y2
F y . s exp y
/ b2
1.
where b is a real constant. The outputs of the hidden unit
lie between 0 and 1; the closer the input to the centre of
the Gaussian, the larger the response of the node.
The activation level of an output unit:
Oj s Wji Oi 2.
where Wji is the weight from hidden unit i to output unit
j, forms a linear combination of the non-linear basis func-
tions.
Finding the centres, widths, and the weights connecting
hidden nodes to the output nodes does the training in a
RBF network. The performance of radial basis function
classifiers is highly dependent on the choice of centres and
width. This has been the focus of our attention in order to
optimise RBF networks for odour classification w16,17x.
For a minimum number of nodes, the selected centres
should be closely representative of the training data for
acceptable classification.
The subtleties and complexities in the optimisation of
the RBFann are dealt with elsewhere w16,17x. This paper
focuses on how the network may be applied to rapid and
useful classification of real data from electronic nose data
to human psychophysical parameters.
2. Method
2.1. Moulding of wheat samples
Field-harvested wheat Silsoe Research Institute, Beds.,
UK. was modified to different water contents using a
moisture sorption isotherm. Known amounts of water were
added to grain samples in 500-ml flasks and stored at 48C
for 24 h with regular shaking to obtain an even moisture
content. The grain was then incubated at 258C and re-
moved when visible moulding was noticed in the wettest
samples. This enabled a range of samples from unmoulded
to completely moulded to be obtained. When not in use,
the wheat was stored in a refrigerator at 58C to arrest the
growth of the fungi present. Wheat was incubated at 18%,
20% and 25% moisture contents mc..
After moulding, the wheat samples were divided into
two batches, one supplied as moulded and the other
air-dried to a nominally constant moisture content of 15%.
Colony counts colony forming units, CFU. were mea-
sured using standard techniques as follows.
Sub-samples 1 or 5 g. were weighed and placed in 9 or
95 ml of 0.1% water agar diluent. A serial dilution series
was carried out and 0.1 ml spread plated onto 2% malt
extract agar, and 2% malt, 10% salt low water availabil-
350 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
ity. using a sterile bent spreader. The plates were incu-
bated at 258C for up to 7 days and the fungal colonies
counted where they appeared at between 10 and 100 per
plate. The major dominant species were identified.
Commercial wheat samples UK grown. were obtained
from a commercial grain trader via Silsoe Research Insti-
tute. The samples were provided with some analytical data
such as moisture content, protein content, density, Hagburg
falling number and screening measurements and were used
as received. Reject grains typically only contained data
pertaining to their moisture content and density.
2.2. Odour measurement basis
The basis of the odour sensing system has previously
been described elsewhere in Ref. w18x. The odour emitted
by the wheat samples was actively sampled by passing
pre-conditioned air through the sample and then over a
sensor array see later.. The array consisted of 32 conduct-
ing polymer elements. Each element possessing a broad
specificity with overlap between the responses of all 32
elements. The sensor array response was recorded each
second and data transmitted to an IBM compatible PC.
Raw data was processed using Osmetech software v3.1,
Osmetech, Crewe, UK. to produce normalised patterns for
input to the RBFann.
2.3. Radial basis function artificial neural network
We have developed a RBFann adapted for rapid odour
classification. This was evaluated for its ability to discrimi-
nate between mouldy and good wheat samples. It was
initially trained using data from wheat samples produced
by moulding under controlled conditions. Later, samples
were obtained from a commercial supplier to provide a
more representative population of wheat encountered un-
der normal conditions and the correlation between the
Fig. 2. Sammon map of wheat moulded under controlled conditions when mapped along with standards.
inspectors evaluation and the sensor array output evalu-
ated.
2.4. Sensing apparatus
2.4.1. Manual sampler for ealuating laboratory moulded
wheat
An Osmetech formerly Aromascan. 32-sensor array
mounted inside an A8S sample station for extra tempera-
ture control was used Osmetech, Crewe, UK.. Wheat
samples 50 g. were weighed into screw neck Pyrex tubes
Fisher Scientific, Loughborough, UK. fitted with phenolic
plastic lids when not in use. A sparging system was used
to transfer wheat odour form the sample tube to the sensor
array. The sensor array was set to sample reference air for
1 min, then to sample wheat odour for a period of 2 min.
This was followed by a wash cycle of 100% RH air at
308C for 1 min and finally, a return to sampling reference
air for 1 min all at 160 ml miny1 .. The reference air was
maintained at a humidity of 30% RH at 308C and was
switched to the sample tube during the wheat odour mea-
surement period. The A8S was held at 308C while the
array itself was held at 358C throughout. In total, including
the 5-min sample equilibration time at 308C, each vial took
10 min to be processed. From the raw data, odour pattern
databases were constructed using averaged time slices over
the last 20 s of the odour exposure or using three 5-s slices
taken at the end of the exposure to the sample, as appropri-
ate. Principal components analysis PCA. maps were cal-
culated for comparison with the RBFann output.
2.4.2. Autosampler arrangement for ealuating commer-
cial wheat
An Osmetech 32-sensor array coupled with autosampler
facility was used to obtain the data presented for the
commercial wheat samples Osmetech, Crewe, UK.. Sam-
ples were 10 g aliquots weighed into standard sample vials
22 ml, Osmetech, Crewe, UK. and crimp sealed with
 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358 351

Table 1 2.4.3. Ealuation of RBFann using measurements of artifi-

Colony counts for mould on the surface of the wheat moulded under cially moulded wheat
controlled conditions
The RBFann can be used in quantitative or qualitative
CFUs
mode. The network was used in quantitative mode and
Moisture content %. Log 10 counts trained to predict values from the sensor outputs for three
First batch possible classification scenarios. These were: i. angle of
12.5 6.819 clusters from the 0,0 origin of a Sammon map see Fig. 2.;
15 5.495 ii. log 10 of CFU on the wheat samples; and iii. the
18 6.375
20 7.397 moisture content of the wheat when moulded.
25 6.765 The data used for the trial of the RBFann was based
upon 20 wheat sample runs using the manual sampling
Second batch
A8S system. The samples were four aliquots each of
6.819
5.495 12.5%, 18%, 20% and 25% mc laboratory moulded wheat.
14.2 6.869 The data were taken as three 5-s slices at the end of
15.7 7.437 sampling period rather than averaged over the period as for
18.2 7.284 the autosampled wheat data, thereby creating three sets of
data per run and a total of 60 data sets for the evaluation in
total. The data order was randomised and the first 15
samples taken as the training set in the first instance and
the remaining 45 samples used as the unknowns. After
aluminium hole caps lined with polytetrafluroethylene network evaluation, the data was re-sorted into order to aid
PTFE.rsilicone septa. Prior to each set of samples, two clarity when presenting the results.
distilled water vials 5 ml each. were run to ensure that
contamination from any previous samples used were not
carried over during the measurement. A distilled water
sample 5 ml. was also run at the end of each batch. The 3. Results
sensor array was set to sample for a period of 3 min, at a
flow rate of 60 ml miny1 , followed by a wash cycle of
distilled water for 4 min at 160 ml miny1 . The reference
3.1. Artificially moulded wheat
air was maintained at a humidity of 30% RH at 308C while
the wash was again 100% RH air at 308C. The platen was
maintained at 308C, the sample loop at 408C and the At 12% and 15% mc the fungi were almost entirely
transfer line was at 508C throughout the experiment. The field fungi with a very small population of Penicillium
sensor array and data processing arrangements were as spp. present, whereas at 18% and 20% mc the predominant
described in Section 2.4.1. fungi present were Penicillium spp. At 25% mc, there was

Fig. 3. Distribution of fungal species in wheat moulded under controlled conditions NB no accurate identifications were carried out at 12.5% but these
were almost entirely field fungi with only a trace of Penicillium spp. present..
352 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358

Fig. 4. Comparison of RBFann training errors for each of the four classes and three classification scenarios used for wheat moulded under controlled
conditions open bars are for 15 data points in the training set and the hatched bars are for 45 data points in the training set..

a broader distribution of fungi see Table 1 and Fig. 3.
with Acremonium sp. dominating.
3.2. Ealuation of RBFann using measurements of artifi-
cially moulded wheat
Artificially moulded wheat was used to evaluate the
performance of the network operating in quantitative mode.
The data presented in Fig. 4 is for the error in prediction of
the learning set vs. the actual values for the three data
classes evaluated, while the data presented in Fig. 5 is the
corresponding error output for the unknowns presented to
the network after the initial training phase. Data is pre-
sented for two training and unknown scenarios. The open
bars represent a training set of 15 data points and an
unknown set of 45 data points whereas the grey bars
represent the reversed case of 45 training data points and
15 unknown data points. Note that the data was evaluated
in a random order and resorted after processing for clarity.
The data in Fig. 6ab represents the success of the
RBFann in predicting the differences between wheat sam-
ples moulded under controlled conditions using naturally
occurring fungi. The dotted lines represent the error in
prediction associated with each class while the grey bars
are the predicted values based upon the sensor values
produced on exposure. The data presented in Fig. 6a are

Fig. 5. Comparison of RBFann predictive errors for each of the four classes and three classification scenarios used for wheat moulded under controlled
conditions open bars are for 15 data points in the training set and the hatched bars are for 45 data points in the training set..
 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358 353

Fig. 6. a. Prediction of wheat moisture content using RBFann artificially moulded wheat, based upon a training set of 15 samples.. The black bar
represents the actual value while the hatched bars represent the predicted values from the RBFann. b. Prediction of wheat moisture content using RBFann
artificially moulded wheat, based upon a training set of 45 samples.. The black bar represents the actual value while hatched bars represent the predicted
values from the RBFann.

for a training set of 15 random samples and an unknown
set of 45 random samples while Fig. 6b is the reversed
scenario 45 training samples and 15 unknown samples.
and the nominal value that the network fitted the data to is
illustrated by the first, dark bar for each class. The wheat
data used was that described in Figs. 2 and 3 and Table 1
and was uncorrected moisture content only. The differenti-
ation between moulded and non-moulded wheat samples is
clearly defined in this case. However, the differentiation
between sub-classes of mouldy is less clear.
3.3. Ealuation of RBFann using measurements of com-
mercial wheat samples
Commercial wheat samples were run on the autosam-
pling system. The data presented in Table 2 illustrates the

Table 2
Physical data for commercial wheat samples
Sample profiles Good wheat Bad wheat
Average Maximum Minimum Average Maximum Minimum
Moisture content %. 14.4 15.6 13.2 16.6 18.9 15.4
Density kgrHL. 76.3 81.3 71.3 71.1 72.9 65.5
354 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
Fig. 7. RBFann output when exposed to commercial wheat samples when operated in classifier mode.
link between increasing moisture content and loss in wheat
quality and the concurrent drop in wheat density with loss
of quality. The trends in these values for good and bad
wheat clearly corroborate the predictions of the neural
network relating to wheat quality see Fig. 7.. The table
was derived from the data supplied with the commercial
wheat samples.
The data presented in Figs. 7 and 8 was collected over a
5-day period, using the autosampler configuration, with
runs of 40 good and 8 bad samples on day 1, 32 good and
12 bad on day 2 and 24 good and 17 bad on day 5. The
first two data sets were then used to train the RBFann
while the third set was used as the unknown. One-third of
the samples tested was classified as being bad by the
wheat supplier. Samples were run in a random order and
were 4 = 10 g aliquots from 34 commercial wheat samples
two data collections were corrupt and were not used in the
Fig. 8. PCA map of the same commercial wheat data presented in Fig. 7.
final analysis.. The zone of uncertainty referred to in Fig.
8 is an arbitrary value rather than a calculated one intended
to illustrate the area of overlap between the clusters of
wheat defined as good or bad. In this area, some samples
cannot be classified as belonging clearly to one class or the
other.
Fig. 7 depicts the predictive output of the RBFann
operating as a classifier network based upon good wheat
having an arbitrary value of 1 and the bad wheat having an
arbitrary value of 2. Three good samples were misclassi-
fied by the network, while no predictive errors arose for
the bad wheat samples, representing a classification error
of 7.3% overall for 48 unknown samples. The arbitrary
definition of wheat quality, in terms of human perception,
has the consequence that a degree of uncertainty is inher-
ent in any description derived or used.
4. Discussion
This paper describes one aspect of an ongoing project to
produce an electronic nose based technology that may be
applied to the organoleptic determination of wheat quality.
To produce such an instrument, a broad array of factors
needs to be considered. These include sampling protocols,
obtention of representative samples, data acquisition,
processing and classification, reliability and relevance to
consumer demand. The data acquisition, processing and
interpretation aspects are dealt with here along with the
sampling protocols.
Any grain odour measurement system must be robust
and simple to use without the need for extensive operator
training and expertise to gain useful results. To meet these
demands, a simple and robust data processing and classifi-
cation system is required. The RBFann approach provides
a solution to this challenge. Other neural network architec-
 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
tures require long training times and can sometimes reach
false minima in the training cycle. The use of the RBFann
circumvents this and provides for very rapid training and
robust predictive power.
4.1. Artificially moulded wheat
Table 1 and Fig. 3 demonstrate that differing moisture
contents favour certain fungal species. This is clearly
demonstrated by the change of dominant species from the
white yeasts at 15% mc to the Penicillium spp. at 18% and
20% mc and then to Acremonium sp. dominating at 25%.
Consequently, it may be expected that different volatiles
will be produced according to the original moisture content
of the wheat. The proliferation of CFU with increasing
moisture content is also significant. A concurrent increase
in volatile production would also be expected as a conse-
quence of the sheer number of fungi active on the surface
of the grains.
Two profiles are shown in Fig. 3 since half of each
moisture content batch was later air-dried to try to produce
wheat of variable quality at similar moisture content. Un-
fortunately, this was not possible, primarily as a result of
the metabolic processes of the fungi driving the moisture
content upwards.
4.2. Ealuation of RBFann using measurements of artifi-
cially moulded wheat
4.2.1. Small training set, large unknown set
During the network training stage, the following pro-
files in the predictive errors as an indication of the overall
accuracy. were observed see Figs. 4 and 5 and Table 3.:
the lowest errors and by association the highest correla-
tion. were found when the data were related to the cluster
position relative to the Sammon map origin Fig. 2.; both
the CFU count and the moisture content data also corre-
lated strongly.
Mapping the data to CFU counts is patently flawed
since the counts for 12.5% and 25% mc wheat were
similar even though the mould species were totally differ-
ent. Table 1.. These wheat samples lie at opposite ends of
the mouldiness scale and as such, should be well sepa-
rated. Based upon this data, while displaying a strong
correlation, the output was not considered as useful for
determining the fitness of the wheat samples.
Table 3
Average error RMS. in prediction for each attempted fit by the RBFann for wheat moulded under controlled conditions
Attempted fit Average error RMS. in prediction from true value
Training set
15 points.
Measured distance 0.007
CFU count 0.005
Wheat moisture content 0.021
355
The data based upon Sammon map data originally
including standard based data. was strongly correlated
with errors of less than 5% in the training matrix. Using
this model, the good wheat was very well separated from
the mouldy wheat with no confusion or overlap between
the two broad categories. The three sub-classes within
mouldy were also well separated. There was also a very
strong correlation in the data between moisture content and
the array output suggesting that humidity was the predomi-
nant force in operation when discriminating between the
classes. However, from Tables 1 and 2, moisture content,
and by inference humidity, is clearly a significant factor in
the classification. The bad commercial wheat samples are
clearly wetter than the good ones. This is not unexpected
since fungal or microbial activity leading to loss in quality
would be associated with increased volatile production.
Allied to this, poor storage conditions inevitably lead to
wetter wheat which would encourage spoilage fungi and
bacteria to proliferate.
Observation of the correlation between the sensor out-
put and the various classifiers used suggests that all three
predictive models were successful although using CFU
count is not a useful approach.
When applied to the unknown data set, the network
made reasonable predictions for the data although the
errors observed were much larger than those in the training
set Table 3.. One data set in particular presented the
network with consistent problems. The 18% mc mouldy
wheat was consistently associated with the 20% mc mouldy
wheat Fig. 6a.. The training data may have been less
typical of the set and hence, larger deviations from the
expected values would result in the network fitting data to
an incorrect class. However, it is worth considering that
both sets of wheat had high Penicillium spp. counts and as
such, may have generated very similar volatile profiles
not withstanding the high bias toward moisture content
observed..
Data based upon CFU counts showed relatively low
errors but this data is flawed since it could not accurately
distinguish between 25% mc mouldy wheat and 12.5% mc
good wheat.
The Sammon mapped data agreed well with the actual
values with very clear demarcation between good and bad
wheat with no regions of uncertainty when plotted. For
sub-classification of bad grain into sets based on moisture
content, only the 18% mc wheat was misclassified. Simi-
Unknown set Training set Unknown set
45 points. 45 points. 15 points.
0.014 0.002 0.008
0.078 0.005 0.015
0.089 0.009 0.002
356 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
larly, network output based on moisture content of the
wheat also correlated very well with the actual value
although this set produced the largest errors when mapping
the data.
4.2.2. Large training set, small unknown set
After the first trial, the training and unknown sets were
swapped to estimate the effect of using a much larger
training set and trying to fit a smaller set of unknown data
points to the output Figs. 4 and 5 and Table 3.. The most
noticeable outcome in using a larger training data set was
the reduction in the overall error. A much better fit of
predicted to actual data was observed when comparing the
smaller training data set with the larger one. Even so, the
predicted output for 18% mc mouldy wheat still displayed
a high discrepancy from the actual value. Generally, the
effect of having a much larger training set was a tighter
prediction of all four classes Fig. 4..
When applied to the smaller unknown set, the error in
prediction was much smaller as expected Figs. 5 and 6b..
This was most noticeable for the 18% mc mouldy wheat
set but was much reduced for all of the predictive data.
Overall, the predictive relevancy of the data remained the
same with correlation to moisture content and CFU count
improved while that of the Sammon map based improved
slightly but was still superior to the other two scenarios.
The principal purpose of the second set was to illustrate
the value of a larger training set when making predictions.
This was clearly illustrated although the ability to discrimi-
nate between good and bad wheat was not particularly
enhanced in this example. The separation between classes
of bad wheat was however significantly improved suggest-
ing that as the prediction becomes more complex, a more
comprehensive training set is required to be more confi-
dent in the predicted classification of unknown data sets
Fig. 6ab..
4.2.3. Summary of artificially moulded wheat obserations
The strongest correlation found between sensor re-
sponse and network output was when the data was corre-
lated to cluster position on the Sammon map. In both
training sets reported Fig. 4., the errors were very low
with correspondingly good success in predicting unknown
data Fig. 5..
Data mapped to CFU count was previously identified as
being irrelevant to the desired outcome in defining the
wheat as good or bad. In this way, the network cannot
determine the basis upon which any observed discrimina-
tion exists. Caution therefore must be exercised in making
judgements on the value of data as a result of correlations
determined using the network.
The necessity of using an adequate training set is
clearly illustrated by the data presented. The prediction
based upon the smaller training set Fig. 6a. is clear
between good and bad wheat but is unable to differentiate
between wheats moulded at different moisture contents.
The predictions based upon the larger training data set
Fig. 6b. are much better defined with respect to the
moisture content of moulding but the classifications are
not entirely unambiguous between 18% and 20% mc wheat
samples. The ambiguity between the 18% and 20% mc
wheat samples may be related to the high penicillia counts
observed in both samples see Fig. 3.. While total separa-
tion may be expected if the differentiation were purely on
moisture content parameters, the similarity in predicted
output and the closeness of the mapping by PCA Fig. 2.
suggest that fungal volatiles are also significant to the
measurement. Hence, the two samples would be expected
to map similarly even though a higher CFU count was
observed for the wheat moulded at 20% mc Table 1..
No weighting or biasing adjustments were made to
improve the predictive power of the network. Ignoring the
basis of discrimination, it can be seen that this particular
network is very effective at quantitative prediction of data,
especially when a suitable training set is used during the
initial training.
4.3. Ealuation of RBFann using measurements of com-
mercial wheat
Commercial wheat samples were obtained via Silsoe
Research Institute from a commercial grain trader. The
samples were previously stored at ambient temperature in
sealed plastic bags in the traders retained sample store.
The grains were screened at Silsoe before testing and
classified as being good or bad based upon odour percep-
tion. Most of the rejected wheat samples sorted in this way
were also marked as DNQ and had a reduced level of
analytical information on the bags.
The samples were run in a randomised order over 3
days in an attempt to eliminate any memory effects or
sensor fatigue that may have arisen from exposing the
array to correlated wheat runs.
The RBFann can clearly be seen to be effective at
differentiating between samples where PCA mapping pro-
duces ambiguous results Figs. 7 and 8.. Two of the three
RBFann misclassified samples lie in the zone of uncer-
tainty the other being the isolated sample.. The isolated
good data point is the first exposure to wheat and is a
system artefact. The predictive accuracy of the network
more than favourably compares with previous studies where
83% approximated to a human success rate w10x.
The PCA mapped data for the first 2 days of the trial
was similar to that presented in Fig. 8 for the last day.
Without prior knowledge of the wheat, the data would be
impossible to distinguish as two separate clusters by PCA
or Sammon mapping.. It is clear from this data that good
and bad grains, as defined in this study by olfactory
perception, are not discrete groupings. It is probable that
different people would draw the distinction between the
classes at different points to those used here depending on
their perception of the malodour. However, based on the
 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
data, it seems likely that the zone of uncertainty would
remain fairly consistent appearing as an interface between
two nominal good and bad clusters. Although the array
drifted very slightly as a result of systematic variation, the
RBFann was able to make its prediction without resort to
compensation for this effect. However, further work is
underway to evaluate how this drift may be accounted for
in a bid to further improve the accuracy and reliability of
the prediction.
5. Conclusions
The RBFann provides a simple and robust method for
correlating chemical vapour sensor array data with human
psychophysical parameters. The system can be operated in
a qualitative or quantitative manner. In this example, the
data used was clearly classified with few errors.
The size of the training set was found to be an impor-
tant factor in determining the accuracy of any predictions
made using the network. Reversing the training and un-
known sets in the example clearly improved the predictive
power of the network to this particular problem.
When employed as a classifying network, the RBFann
was very successful in predicting the quality of wheat on a
simplistic good or bad scale. Based upon a commercially
supplied data set, the predictive success was greater than
92% with no samples that were described as being bad,
misclassified by the network.
Acknowledgements
The authors wish to acknowledge the Ministry of Agri-
culture Fisheries and Food for funding this project project
number MAFF CTD 9701. and the contribution of Osme-
tech in terms of loans of equipment and supply of exper-
tise.
References
w1x USDA 1998 U.S. Grain Exports: Quality Report, Federal Grain
Inspection Service FGIS. of the United States Department of
Agriculture, Grain Inspection, Packers and Stockyards Administra-
tion, USDA, Washington, DC, 1999.
w2x R. Rylander, Lung diseases caused by organic dusts in the farm
environment, Am. J. Ind. Med. 10 1997. 221227.
w3x ISO 605 Pulses Determination of impurities, size, foreign odours,
insects, and species and variety Test methods, International
Organisation for Standardisation, 1991.
w4x USDA, Grain Inspection Handbook Book II Grain Grading Proce-
dures, USDA Federal Grain Inspection Service, Washington, DC,
1990.
w5x T. Hermann, G. Kuhl, Grain Grading Standards in Feed Manufactur-
ing, Kansas State University Agricultural Experiment Station and
Co-operative Extension Service, Kansas State University, 1997,
January.
357
w6x E.A. Smith, E. Chambers IV, S. Colley, Development of vocabulary
and references for describing off-odors in raw grains, Cereal Foods
World 39 1994. 495499.
w7x N. Magan, P. Evans, Volatiles as an indicator of fungal activity and
differentiation between species, and the potential use of electronic
nose technology for early detection of grain spoilage: a review, J.
Stored Prod. Res., in press.
w8x R.N. Sinha, D. Tuma, D. Abramson, W.E. Muir, Fungal volatiles
associated with moldy grain in ventilated and non-ventilated bin-
stored wheat, Mycopathologia 101 1988. 5360.
w9x D. Tuma, R.N. Sinha, W.E. Muir, D. Abramson, Odor volatiles
associated with microflora in damp ventilated and non-ventilated
bin-stored bulk wheat, Int. J. Food Microbiol. 8 1989. 103119.
w10x J.R. Stetter, M.W. Findlay Jr., K.M. Schroeder, C. Yue, W.R.
Penrose, Quality classification of grain using a sensor array and
pattern recognition, Anal. Chim. Acta 284 1993. 111.
w11x A.M. Pisanelli, A.A. Qutob, P. Travers, S. Szyszko, K.C. Persaud,
Applications of multi array polymer sensors to food industries, Life
Chem. Rep. 11 1994. 303308.
w12x T. Borjesson,
A. Jonsson, H. Sundgren, J. Schnurer,
T. Eklov,
Electronic nose for odor classification of grains, Cereal Chem. 73
1996. 457461.
w13x A. Jonsson, F. Winquist, J. Schnurer,
H. Sundgren, I. Lundstrom,
Electronic nose for microbial quality classification of grains, Int. J.
Food Microbiol. 35 1997. 187193.
w14x T. Borjesson,
J. Olsson, Electronic nose for quality control of
cereals: relations to ergosterol and mycotoxin contents, Proc. of
Electronic Noses in the Food Industry Symposium, 1617th Novem-
ber 1998, Stockholm, Sweden, 1998, pp. 2428.
w15x J. Moody, C. Darken, Fast learning in networks of locally-tuned
processing units, Neural Comput. 1 1989. 281294.
w16x K.C. Persaud, H-.G. Byun, Classification of complex odours using
polymer sensor arrays and neural networks, in: F.F. Soulie, P.
Gallinari Eds.., Industrial Applications of Neural Networks, World
Scientific, Singapore, 1998, pp. 8590.
w17x H-G. Byun, K.C. Persaud, J-.D. Kim, D-.D. Lee, Improvement of
RBF networks performance for application to odour sensing sys-
tems, in: U. Weimar, M. Frank Eds.., Proc. of ISOEN99, Tubingen,
Germany, Sept. 2022nd, 1999, pp. 237240.
w18x K.C. Persaud, P. Travers, Multi-element arrays for sensing volatile
chemicals, Intell. Instrum. Comput. 1991. 147154, JulyrAugust.
Biographies
Dr. Phillip Eans received his BSc Hons.. in Applied Chemistry from
Kingston University in 1992 and his PhD in the investigation of colloidal
conducting polymer films for gas sensing applications from the Univer-
sity of the West of England Bristol., in 1998. At UWE, he worked on
numerous sensing related projects including the development of systems
for spoilage detection in potatoes and Serrano hams. He is currently
employed as a Research Associate in DIAS, UMIST investigating The
Detection of Contaminants in Grain and Infestations in Bulk and In-tran-
sit Grain by Sensors and Physical Methods.
Dr. Krishna C. Persaud, BSc Hons.. Biochemistry 1976 University of
Newcastle-upon-Tyne, UK; MSc Molecular Enzymology 1977, Univer-
sity of Warwick, UK; PhD Olfactory Biochemistry 1980 University of
Warwick, UK. He has research interests in the area of olfaction from
physiology to chemistry and has been involved in the development of gas
sensor arrays for sensing odours based on conducting polymers. He has
worked in olfactory research in Italy and the USA, and was appointed as
Lecturer, Department of Instrumentation and Analytical Science, Univer-
sity of Manchester Institute of Science and Technology, UK in 1988, and
is currently a Senior Lecturer in the Department.
358 P. Eans et al.r Sensors and Actuators B 69 (2000) 348358
Dr. Alexander S. McNeish MRSC C Chem.. is currently the applications
team leader at Osmetech. He graduated from UMIST, Manchester with a
BSc Hons.. in Chemistry specialising in Analytical Chemistry, in 1985.
After industrial posts at Guinness and Fisons Instruments, which included
organoleptic and chromatographic characterisation of samples, he com-
pleted his PhD at the University of Liverpool investigating chlorinated
materials present in the biota of the Mersey Estuary. Prior to his
employment at Osmetech, he was a Research Associate at Lancaster
University in the School of Environmental and Biological Sciences.
Robert W. Sneath I. Eng. M.I. Agr. Eng.., is currently a Senior Research
Officer at Silsoe Research Institute, Bedfordshire. He graduated from
South Bank University, London in 1972 with a Grad. Dip. in Power Eng.
and a HND in Mech. Eng. His current interests lie in odour and emission
control from aerobic waste treatment, methane and nitrous oxide emis-
sions from livestock buildings, olfactometry and electronic nose research.
Norris Hobson received his BSc Mech.. Hons.. from the University of
Bath in 1973 and is currently employed at Silsoe Research Institute. His
main activities are in the harvesting and processing of cereals, investiga-
tions of industrial and alternative crops and development of the wheat
specific electronic nose system.
Prof. Naresh Magan is currently Professor of Applied Mycology and
Academic Director at the Institute of BioScience and Technology, Cran-
field University. He received his BSc Hons.. in Botany in 1976 and MSc
in Plant Pathology in 1977, both from Exeter University. He received his
PhD in Agricultural Botany from Reading University in 1982. He has
extensive biotechnology experience and has much expertise in the field of
spoilage fungi, mycotoxins and grain quality.