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International Journal of AI for
            Materials and Design                                          Optimization of membrane shrinkage and stability



                                                                                               target
            base value f  (mean model output), the prediction can be   and TD, denoted as  R target   and  R TD  . In addition,
                     0
                                                                                      RD
            decomposed as Equation II.                            tolerance limits ∆  and ∆  are defined to account for
                                                                                RD
                                                                                       TD
            fx()   f   M   i                       (II)       permissible deviations from the target values. These
                                                                  targets are determined based on the desired
                   0
                        i1
                                                                  dimensional accuracy of the electrospun mat after
              This additive decomposition provides a transparent   post-processing, ensuring the end product meets
            interpretation of how each electrospinning parameter   application-specific  requirements  (e.g.,  biomedical
            affects the model output, enabling a parameter-sensitive   scaffolds or filtration membranes). This initialization
            optimization strategy.                                step  provides  clear  quantitative  objectives  for
            2.3. Optimization of shrinkage stability              subsequent parameter screening.
                                                               (ii)  Step 2: Monte Carlo sampling
            To identify optimal processing parameters that achieve      A large set of candidate processing parameter
            target shrinkage ratios with maximal stability, a Monte Carlo   combinations is generated via Monte Carlo sampling
            simulation 34-38  framework was established by integrating   within predefined practical ranges. The considered
            shrinkage prediction and shrinkage stability models. The   parameters include applied voltage (kV), solution
            Monte Carlo method is a stochastic simulation technique   concentration (wt%), collector distance (cm), and
            that estimates numerical results by performing repeated   rotation  speed  (rpm).  Random  sampling  ensures
            random sampling over the parameter space. In this study,   comprehensive coverage of the parameter space,
            each process parameter,  including applied  voltage,  TPU   enabling the identification of non-intuitive optimal
            concentration, collector speed, and electrode distance, is   combinations that conventional trial-and-error
            treated as a random variable within experimentally feasible   methods may miss.
            bounds. A large number N of parameter sets is generated   (iii) Step 3: Shrinkage prediction
            from the joint distribution of process parameters to      Each sampled parameter set is evaluated using a
            explore the multidimensional process space in an unbiased   previously trained shrinkage prediction model,
            and comprehensive manner. Compared with Bayesian      which was constructed based on experimental
            optimization  or  other sequential search  algorithms,  this   data and machine learning algorithms. The model
            one-step large-scale sampling can simultaneously evaluate   outputs predicted shrinkage ratios in  ( )  and
                                                                                                      ˆ
                                                                                                  RD R
            shrinkage accuracy and stability without iterative model   ˆ                               RD
                                                                     ( ) ,
            updates, making it particularly suitable for our non-linear,   TD R TD  capturing the non-linear dependencies
            high-variability system with a pre-trained predictive model.  between processing parameters and shrinkage
                                                                  behavior. This predictive approach greatly reduces the
              Mathematically, for a target shrinkage function f(x) and
            stability metric g(x), the expected values are approximated   number of costly experimental trials.
            as Equation III,                                   (iv)  Step 4: Feasibility filtering
                                                                  Only those parameter sets whose predicted shrinkage
                     1   N              1   N                     ratios satisfy Equation IV,
                                Eg x()]
            Ef x[( )]    fx(),[            gx( )    (III)
                    N    k1  k         N   k1  k                 | R ˆ  − R target  |≤ ∆ , R  − R target  |≤ ∆
                                                                                   ˆ
                                                                                  |
                                                                     RD  RD     RD  TD   TD    TD         (IV)
              where x  is the k  random sample of process parameters.      are retained for further analysis. This filtering step
                           th
                     k
            Through sufficient sampling, the distribution of predicted   eliminates parameter combinations that would
            shrinkage ratios (%RD, %TD)  and stability  coefficient   produce  excessive  dimensional  deviation,  thus
            (CIW) can be estimated.                               narrowing the candidate pool to only potentially
              By filtering all samples that meet the target shrinkage   viable solutions.
            tolerance, the Monte Carlo method provides a numerical   (v)  Step 5: Stability assessment
            approximation to the feasible design domain. The      For each feasible parameter set, shrinkage stability is
            subsequent ranking by predicted CIW corresponds to an   evaluated using a trained stability prediction model.
            optimization  over  the  estimated  probability  distribution   The stability metric is expressed as the predicted CIW,
            of outcomes. This enables the selection of parameter   which  reflects  the  sensitivity of  shrinkage  behavior
            combinations that maximize process robustness while   to process fluctuations. A smaller CIW corresponds
            satisfying the desired biaxial shrinkage performance. The   to a more robust process configuration, less prone to
            method proceeds as follows:                           variation due to environmental changes or equipment
            (i)  Step 1: Initialization                           drift. This step ensures that the selected parameters
               The optimization process begins by specifying the   are not only accurate but also reproducible in real
               target shrinkage ratios in the radial direction (RD)   production.

            Volume 2 Issue 3 (2025)                         68                        doi: 10.36922/IJAMD025260022
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