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. 2026 Aug 12;31(16):2808. doi: 10.3390/molecules31162808
Algorithm 1 Approximate Attribution Enhancement (AAE)
  • Require: 

    Original feature set X={xk}k=1n, target size Naug, membership threshold a, seed s

  • Ensure: 

    Membership-weighted augmented set W

  •   1:

    Estimate per-dimension variances and form the diagonal training-fold covariance matrix D   ▹ Equation (9)

  •   2:

    Compute the central sample λcen and partition counts NF, NC

  •   3:

    Initialise W←{(λk,1)}k=1n

  •   4:

    Initialise the pseudorandom generator with seed s

  •   5:

    while |W|<n+Naug do

  •   6:

          Draw a reference λk and sample a target membership μW≥a

  •   7:

          Solve for the candidate λk′ by attribution inversion                   ▹ Equation (12)

  •   8:

          Apply biased far/near acceptance with coefficients α,β                 ▹ Equation (13)

  •   9:

          if μW(λk′)≥a then

  • 10:

               Assign a soft label by membership-weighted averaging over neighbours

  • 11:

               W←W∪{(λk′,μW(λk′))}

  • 12:

          end if

  • 13:

    end while

  • 14:

    return W                                       ▹ Equation (14)