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Averaging Strategy for Interpretable Machine Learning on Small Datasets to Understand Element Uptake after Seed

Hengjie Yu1,2, Shiyu Tang3, Sam Fong Yau Li3

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Plant uptake of nanoparticles is key for sustainable seed nanotreatment. Solubility, size, and surface area of nanoparticles significantly influence their concentration in maize seedlings, enabling safer nanomaterial design.

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Area of Science:

  • Agricultural Science
  • Environmental Science
  • Nanotechnology

Background:

  • Understanding nanomaterial behavior in plants is vital for safe agricultural applications.
  • Seed nanotreatment offers a promising method for delivering nanoparticles to crops.

Purpose of the Study:

  • To predict and explain the relative metal/metalloid concentration (RMC) in maize seedlings after seed priming with nanoparticles.
  • To develop interpretable machine learning models for understanding nanoparticle uptake and translocation.

Main Methods:

  • Collected a dataset of 280 experimental instances on nanoparticle-primed maize seedlings.
  • Applied an averaging strategy and interpretable machine learning (LightGBM, RuleFit) for prediction and explanation.
  • Developed a visualization tool (RuleGrid) to illustrate feature effects and interactions.

Main Results:

  • Solubility of nanoparticles strongly correlated with model prediction performance.
  • Key factors influencing RMC include nanoparticle solubility, surface area, concentration, zeta potential, hydrodynamic diameter, seedling part, and plant weight.
  • Self-interpretable RuleFit models accurately predicted RMC using six identified features.

Conclusions:

  • The study provides an interpretable, data-driven approach to understand nanoparticle fate in plants.
  • Findings contribute to the safety-by-design of nanomaterials for agricultural and environmental applications.
  • Consistent relationships between parameters and RMC were confirmed across different methods.