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  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Automated Machine Learning for Ex-ante Life Cycle Assessment of Barley Production</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Radwa ElShawi</string-name>
          <email>radwa.elshawi@ut.ee</email>
          <xref ref-type="aff" rid="aff3">3</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Stefania Tomasiello</string-name>
          <xref ref-type="aff" rid="aff1">1</xref>
          <xref ref-type="aff" rid="aff3">3</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Evelin Loit</string-name>
          <email>evelin.loit-harro@ut.ee</email>
          <xref ref-type="aff" rid="aff2">2</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Ayhan Gökçe</string-name>
          <email>ayhan.gokce@ohu.edu.tr</email>
          <xref ref-type="aff" rid="aff5">5</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Virmantas Povilaitis</string-name>
          <email>Virmantas.Povilaitis@lammc.lt</email>
          <xref ref-type="aff" rid="aff4">4</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Stefan Shilev</string-name>
          <email>stefan.shilev@au-plovdiv.bg</email>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Wieslaw Szulc</string-name>
          <email>wieslaw_szulc@sggw.edu.pl</email>
          <xref ref-type="aff" rid="aff6">6</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Agricultural University</institution>
          ,
          <addr-line>Plovdiv</addr-line>
          ,
          <country country="BG">Bulgaria</country>
        </aff>
        <aff id="aff1">
          <label>1</label>
          <institution>Department of Industrial Engineering, University of Salerno</institution>
          ,
          <addr-line>Fisciano</addr-line>
          ,
          <country country="IT">Italy</country>
        </aff>
        <aff id="aff2">
          <label>2</label>
          <institution>Institute of Agricultural and Environmental Sciences, Estonian University of Life Sciences</institution>
          ,
          <country country="EE">Estonia</country>
        </aff>
        <aff id="aff3">
          <label>3</label>
          <institution>Institute of Computer Science, University of Tartu</institution>
          ,
          <country country="EE">Estonia</country>
        </aff>
        <aff id="aff4">
          <label>4</label>
          <institution>Lithuanian Research Centre for Agriculture and Forestry, Institute of Agriculture</institution>
          ,
          <country country="LT">Lithuania</country>
        </aff>
        <aff id="aff5">
          <label>5</label>
          <institution>Niğde Ömer Halisdemir University, Faculty of Agricultural Sciences and Technologies</institution>
          ,
          <country country="TR">Türkiye</country>
        </aff>
        <aff id="aff6">
          <label>6</label>
          <institution>Warsaw University of Life Sciences, Institute of Agriculture</institution>
          ,
          <country country="PL">Poland</country>
        </aff>
      </contrib-group>
      <abstract>
        <p>In this paper, we discuss the use of Automated Machine Learning for the first time applied to an Ex-ante Life Cycle Assessment. This kind of analysis has been conducted for a particular crop production, i.e. barley. The aim is to assess the impact (in terms of carbon dioxide emissions and yield) of diferent production strategies. The data used in this study comes from a two-year measurement campaign involving five countries. The results are compared against the state-of-the-art technique, showing the good performance of the approach.</p>
      </abstract>
      <kwd-group>
        <kwd>eol&gt;automated machine learning</kwd>
        <kwd>fuzzy logic</kwd>
        <kwd>Ex-ante Life Cycle Assessment</kwd>
        <kwd>crop production</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Introduction</title>
      <p>
        Ex-ante Life Cycle Assessment (LCA), unlike traditional
LCA, is conducted before a product, process, or service
is fully developed or implemented. Hence, it refers to a
predictive or foresight-oriented approach to
environmental impact assessment. While traditional LCA assesses the
environmental impacts of an existing product or process
(post-implementation), ex-ante LCA is performed during
the design phase or early planning stages. It aims to forecast
potential environmental impacts based on available data and
assumptions. It may help decision-makers evaluate diferent
alternatives and make informed choices about which design
or process will likely have the least environmental impact.
Since ex-ante LCA is conducted early in the product
lifecycle, it often relies on estimated data or assumptions that
might not be as accurate as data obtained after production
or use. This introduces some uncertainty in the analysis, but
it still provides valuable insights for comparison. It allows
for the early identification of potentially unsustainable
practices, guiding toward more sustainable solutions. It brings
some benefits, since assessing environmental impacts early
in the process can help avoid costly mistakes and optimize
the environmental performance of a product or service. The
limitations mainly deal with uncertainty, since early-stage
assessments are based on models and assumptions that may
not fully reflect the actual environmental impact once the
product or process is realized [
        <xref ref-type="bibr" rid="ref1">1</xref>
        ]. The use of ex-ante LCA
in the agri-food area is still in its infancy. In [
        <xref ref-type="bibr" rid="ref2">2</xref>
        ], a kind of
ex-ante LCA was discussed for the starch extraction process
from mango kernel. The goal was to compare the
environmental impact of two diferent processes. The authors used
the commercial software SimaPro for their analysis. In [
        <xref ref-type="bibr" rid="ref3">3</xref>
        ],
ex-ante LCA was used to assess the sustainability of the
production of cultivated meat, i.e. non-conventional meat,
obtained by processing some crops. The goal was to
outline the environmental performance of commercial-scale
production and to compare this to conventional meat
production in 2030. The authors used the conventional ReCiPe
Midpoint impact assessment method for their analysis. In
[
        <xref ref-type="bibr" rid="ref4">4</xref>
        ], the ex-ante LCA was performed to evaluate the
potential changes in fertilizer application rates for a certain wheat
production. Machine learning (ML) was not utilized in any
of these studies. To the best of our knowledge, the only one
in the agri-food area is [
        <xref ref-type="bibr" rid="ref5">5</xref>
        ], where the authors proposed the
Co-Active Neuro-Fuzzy Inference System with fractional
regularization (CANFIS-T) for the ex-ante LCA of wheat
production, predicting the yield and the Global Warming
Potential (GWP) indicator.
      </p>
      <p>
        In this work, we explore the integration of an Automated
Machine Learning (AutoML) technique to enhance ex-ante
LCA, specifically for predicting crop yields and CO2
emissions. AutoML provides an eficient framework for
automating the process of model selection and hyperparameter
optimization, enabling rapid development of predictive models
with minimal manual intervention [
        <xref ref-type="bibr" rid="ref6 ref7">6, 7</xref>
        ]. Previous
studies have demonstrated the potential of AutoML in
agricultural applications, such as optimizing models for crop yield
prediction and resource management [
        <xref ref-type="bibr" rid="ref8 ref9">8, 9</xref>
        ]. Similarly, in
environmental contexts, AutoML has been used to predict
greenhouse gas emissions and assess the sustainability of
processes with limited data [
        <xref ref-type="bibr" rid="ref10">10</xref>
        ]. These studies highlight
the adaptability and scalability of AutoML for addressing
complex, data-driven challenges. By leveraging AutoML,
we aim to improve the accuracy of early-stage
environmental impact predictions while addressing the uncertainties
associated with data and assumptions in ex-ante LCA. This
approach represents a novel application of AutoML in the
agri-food domain, contributing to the advancement of
predictive methodologies for sustainable agriculture.
      </p>
      <p>The remainder of this paper is organized as follows.
Section 3 introduces the methods and the data collection.
Section 4 describes the details of our experimental setup and the
evaluation of the proposed methodology, before concluding
the paper in Section 5.</p>
    </sec>
    <sec id="sec-2">
      <title>2. Ex-ante LCA: an Overview</title>
      <p>
        By looking at the definitions in the literature, the ex-ante
LCA aims to [
        <xref ref-type="bibr" rid="ref11">11</xref>
        ]:
• "scale up an emerging technology using likely
scenarios (e.g., using expert help, extreme views,
learning curves for similar technologies) of future
performance at full operational scale";
• "compare the emerged technology at scale with the
evolved incumbent technology”.
      </p>
      <p>
        Similarly, it can be regarded as an “environmental [LCA]
of a new technology before it is commercially implemented
in order to guide R&amp; D decisions to make this new
technology environmentally competitive as compared to the
incumbent technology mix” [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ].
      </p>
      <p>
        The challenging part of conducting an ex-ante LCA is the
lack of representative data for the system assessed which
could bring uncertainty to the study [
        <xref ref-type="bibr" rid="ref12">12</xref>
        ]. In [
        <xref ref-type="bibr" rid="ref13">13</xref>
        ],
uncertainty has been taken into account using diferent scenarios
in the agri-food context. According to other authors [
        <xref ref-type="bibr" rid="ref14">14</xref>
        ],
these scenarios can be defined on the basis of discussions
with relevant stakeholders. In [
        <xref ref-type="bibr" rid="ref5">5</xref>
        ], the uncertainty was taken
into account by means of the fuzzy sets formalism, which is
part of the adopted model, i.e. CANFIS-T.
      </p>
    </sec>
    <sec id="sec-3">
      <title>3. Methods and Material</title>
      <sec id="sec-3-1">
        <title>3.1. Fields Experiments and Data Collection</title>
        <p>
          Data comes from a two-year measurement campaign, over
2022 through 2023, in the context of the SusCrop
ERANET funded project ConnectFarms [
          <xref ref-type="bibr" rid="ref15">15</xref>
          ]. The field
operations were conducted in diferent countries, namely,
Lithuania, Estonia, Poland, Bulgaria, and Turkey. Spring barley
(Hordeum vulgare), in diferent varieties ( Laureate in
Estonia, Zemela in Bulgaria, Fantex in Poland, Larende in Turkey,
Luoke in Lithuania), was grown in pure stands with a
sowing rate of 500 seeds/m2 (Figure1 shows the fields in two
participating countries).
        </p>
        <p>There were two fertilizer treatments: non-fertilized
treatment (control) and mineral fertilized treatment N23P30K63.
All treatments were in four replications. The plot size was
20 m2. Spring barley yield was 3,8 t/ha on average in
fertilized treatment, which was significantly higher than in
non-fertilized control (Figure 2). The highest yields were in
Turkey (4,2 t/ha), being the south-most testing site. Most
likely irrigation helped to achieve the result. Interestingly,
fertilization did not afect the yield. In Bulgaria, there were
high yields in fertilized treatments (average 3,8 t/ha), which
was almost twice as high as controls. Twice the diference
in yields was also observed in Estonia.</p>
        <p>In order to build our ML model, the considered variables
and their range are shown in Table 1. The yield and carbon
dioxide emissions represent the output of our model. The
whole dataset, in the ranges shown, has 2,000 samples.</p>
        <p>The data was normalized for each variable as  = ( −
)/, where  is the mean and  is the standard deviation.
Name</p>
        <p>Seeds
Harrowing
Harvesting</p>
        <p>Ploughing
Sowing or planting</p>
        <p>Nitrogen
Phosphate
Potassium
Compost
Biochar
Yield
CO2</p>
        <p>
          Unit
kg
h
h
h
h
g/m2
g/m2
g/m2
kg/m2
kg/m2
kg/m2
ppm
We leverage Auto-sklearn [
          <xref ref-type="bibr" rid="ref16">16</xref>
          ], an advanced AutoML
system, to automate both model selection and hyperparameter
optimization for the construction of CO2 and crop yield
prediction models. Built upon Scikit-Learn [
          <xref ref-type="bibr" rid="ref17">17</xref>
          ], Auto-sklearn
explores a vast search space that includes 15 classifiers, 14
feature preprocessing options, and 4 data preprocessing
strategies, resulting in a highly complex configuration
involving 110 hyperparameters. To facilitate algorithm
selection and tuning, Auto-sklearn utilizes the SMAC (Sequential
Model-based Algorithm Configuration) tool [
          <xref ref-type="bibr" rid="ref18">18</xref>
          ]. Moreover,
Auto-sklearn enhances model stability and performance by
combining the top-performing models into an ensemble
using a greedy selection strategy. This ensemble approach
starts with an empty set and iteratively incorporates models
that maximize validation performance. The model’s eficacy
is assessed using 5-fold cross-validation, with optimization
aimed at minimizing the Root Mean Squared Error (RMSE)
to ensure robust performance. Auto-sklearn generates the
ifnal ensemble model, with a time budget of 10 minutes
allocated for model selection and hyperparameter optimization
for the CO2 and yield prediction tasks. This constrained time
budget was chosen to balance the need for eficient model
development with the computational resources available.
Despite the brief time limit, Auto-sklearn can eficiently
explore the model search space and produce optimized models
that provide robust performance within this timeframe.
        </p>
      </sec>
      <sec id="sec-3-2">
        <title>3.3. Baseline Model</title>
        <p>
          The state-of-the-art baseline model is the Co-Active
NeuroFuzzy Inference System with fractional regularization
(CANFIS-T) proposed in [
          <xref ref-type="bibr" rid="ref5">5</xref>
          ], where it was successfully used
to predict the GWP indicator, pursuing an ex-ante LCA
of wheat production. In [
          <xref ref-type="bibr" rid="ref5">5</xref>
          ], the model had 7 inputs (i.e.
ifeld operations, transport, nitrogen, phosphate, manure,
biocides, medium voltage) and 3 outputs (i.e. wheat grain,
wheat straw, GWP). CANFIS-T generalizes the Adaptive
Neuro-Fuzzy Inference System with fractional
regularization (ANFIS-T). Both models are based on a multi-layered
network architecture to describe the Takagi-Sugeno fuzzy
inference system, but while ANFIS models
Multi-InputSingle-Output (MISO) systems, CANFIS models
Multi-InputMultiple-Output (MIMO) systems. From both systems, it
is possible to extract fuzzy IF-THEN rules. In such rules,
the antecedents are linguistic variables that can assume a
certain value, i.e., a membership degree to a fuzzy set that
(a)
models the variable itself. A fuzzy set is uniquely identified
through a so-called membership function, which could be,
for instance, a triangular, a trapezoidal, or a Gaussian
function. A linguistic variable is associated with a number of
terms, modelled by fuzzy sets, which express the attributes
of the variable, as in our natural language. Such terms form
a fuzzy partition.
        </p>
      </sec>
    </sec>
    <sec id="sec-4">
      <title>4. Experimental Evaluation</title>
      <sec id="sec-4-1">
        <title>4.1. Experimental Setup</title>
        <p>Hardware Resources. We conducted our experiments on
a CPU environment. The CPU environment runs on
Windows 11 Pro 64-bit (10.0, Build 22621) with 16 core Intel(R)
Core(TM) i9-10885H Processor @ 2.40GHz,32 GB DIMM
memory, and 1000 GB SSD data storage. All the approaches
have been implemented in Python.</p>
        <p>Treatment Type
Biochar Treatment</p>
        <p>NPK Treatment
No Fertilizer Treatment</p>
        <p>MSE (train)
-11.9693
-0.0073
-0.0041</p>
        <p>RMSE (train)
3.4586
0.0848
0.0627</p>
        <p>MSE (test)
10.8 753
0.0053
0.0029</p>
        <p>RMSE (test)
3.2978
0.0728
0.0542
2 Score (test)
0.9589
1.0000
1.0000
The results of the AutoML models applied for predicting
CO2 emissions reveal significant variances in performance
across diferent treatment types, as shown in Table 2. The
Biochar Treatment Model achieved a mean R² score of 0.9589,
indicating that it explains approximately 95.9% of the test
set’s variance. Despite this strong correlation, the model
demonstrated a root mean square error (RMSE) of 3.2978,
suggesting that while the model is reliable, there may be
underlying complexities in the biochar data or the target
variable distribution contributing to the prediction errors.
In contrast, both the NPK Treatment Model and the No
Fertilizer Treatment Model reached a perfect R² score of
1.0000, with RMSE values of 0.0728 and 0.0542, respectively.
These results imply that the models accurately predict CO2
emissions in these scenarios without any observable error,
highlighting their robustness. The exceptional performance
of the NPK and No Fertilizer models suggests that these
treatment types exhibit more consistent patterns in CO2
emissions compared to the biochar treatment. Overall, these
ifndings show the efectiveness of the AutoML approach
in modelling carbon emissions under varying agricultural
practices, with implications for optimizing treatments aimed
at reducing greenhouse gas emissions.</p>
      </sec>
      <sec id="sec-4-2">
        <title>4.3. AutoML Results of Yield Prediction</title>
        <p>The results of the yield prediction models indicate varying
levels of performance across the diferent treatment types,
as shown in Table 3. The Biochar model produced a mean
R² score of 0.8956, reflecting that approximately 89.6% of the
variance in the test set can be explained by the model. This
model exhibited a root mean square error (RMSE) of 0.2331,
suggesting some level of prediction error, despite the robust
performance indicated by its mean squared error (MSE) of
0.0543. In contrast, the NPK model demonstrated a higher R²
score of 0.9481, meaning it accounts for about 94.8% of the
variance in yield, with an RMSE of 0.4674, indicating slightly
larger errors in predictions compared to the Biochar model.
This model’s mean MSE of 0.2185 is also higher, suggesting
that while it performs well, it may be less precise than the
Biochar treatment. The No Fertilizer model showed the
lowest performance among the three, with an R² score of 0.8593,
indicating it explains approximately 85.9% of the variance in
the test set. The RMSE of 0.3063 indicates notable prediction
errors. Collectively, these results highlight the efectiveness
of the AutoML approach in predicting agricultural yield,
with the NPK treatment showing the highest explanatory
power, followed by Biochar and No Fertilizer treatments.</p>
      </sec>
      <sec id="sec-4-3">
        <title>4.4. Baseline Characteristics and Outcome</title>
        <p>
          The study included a comparison against the CANFIS-T
method, previously proposed to tackle the same problem in
[
          <xref ref-type="bibr" rid="ref5">5</xref>
          ]. For yield prediction, the best results were obtained by
using 3 terms (and an equal number of rules). The mean test
RMSE (with five-fold cross-validation) for each case was as
follows:
For the CO2 prediction, the results were less favourable,
with a mean test RMSE of around 10 for all cases. The
average training time for the three cases was less than 2 seconds.
Unfortunately, the fast training was the only advantage of
the approach.
        </p>
      </sec>
    </sec>
    <sec id="sec-5">
      <title>5. Discussion and Conclusion</title>
      <p>When compared with the baseline CANFIS-T method, the
AutoML framework substantially outperforms it in terms
of predictive accuracy. For example, the AutoML models
yielded lower RMSE values (0.2331 for Biochar and 0.4674
for NPK) compared to the CANFIS-T method’s results, such
as 0.721643 for Biochar and 2.1265502 for NPK. These
discrepancies highlight the superior generalization ability of
AutoML in accurately modelling agricultural data across
diferent treatment types. Additionally, while the CANFIS-T
method demonstrated faster training times, its performance
in CO2 emission prediction was less favourable, with an
RMSE of approximately 10 across all cases. This further
underscores the eficacy of AutoML in addressing complex
prediction tasks while maintaining a high level of model
stability and accuracy, particularly in cases with higher data
variability.</p>
      <p>Overall, the findings suggest that AutoML ofers
significant advantages in both predictive performance and model
generalization over traditional methods, providing valuable
insights for optimizing agricultural practices aimed at
mitigating greenhouse gas emissions.</p>
      <p>In future work, we will investigate the use of AutoML
techniques to handle uncertainty and noisy data in
agriculture.</p>
    </sec>
    <sec id="sec-6">
      <title>Acknowledgments</title>
      <p>This work has been partially funded by the Estonian
Research Council, grant PRG1604, through the funding of
SusAn, FACCE ERA-GAS, ICT-AGRI-FOOD and SusCrop
ERA-NET, and through the project Increasing the
knowledge intensity of Ida-Viru entrepreneurship co-funded by the
European Union.</p>
    </sec>
  </body>
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