1. Introduction
The adaptive cycle engine (ACE) adjusts variable geometry components to change cycle parameters such as mass flow, bypass ratio, and pressure ratio, thereby changing the engine’s operating condition and maintaining optimal performance over the full flight envelope. It can satisfy both the fuel consumption requirement in subsonic flight and the thrust requirement in supersonic flight, and is therefore regarded as a core technology for next-generation aero-propulsion systems [
1,
2]. The ACF is a key component of the ACE and plays a critical role in realizing variable cycle characteristics.
An ACF typically consists of multistage fans and features multi-bypass configurations, making it a typical high-dimensional nonlinear optimization problem. However, in such a high-dimensional design space, as the number of design variables increases, the volume of the sample space expands exponentially, leading to a dramatic increase in the cost of high-fidelity computations or physical experiments, and thus triggering the “curse of dimensionality.”
Facing the high costs of computational fluid dynamics (CFD) simulations and physical experiments, SAEAs have gradually superseded traditional exhaustive search methods as the mainstream method for turbomachinery aerodynamic optimization [
3]. Early studies mainly focused on low-dimensional problems and verified the effectiveness of the method. Benini et al. [
4,
5] performed Pareto optimization of NASA Rotor 37 using multi-objective evolutionary algorithms and successfully improved the pressure ratio and efficiency of the transonic rotor. Lian et al. [
6] combined a response surface model to achieve lightweight and high-performance design of NASA Rotor 67. With further research, to address more complex problems, Xiong et al. [
7] developed a multi-model ensemble optimization strategy for large-scale fans, improving global search robustness by dynamically weighting different surrogate models. Zhao et al. [
8] proposed an efficient framework based on a “pre-screening” mechanism, using a low-fidelity model to rapidly eliminate inferior solutions and significantly improving optimization efficiency for high-loaded compressors in heavy-duty gas turbines. Long et al. [
9] proposed a surrogate-assisted differential evolution algorithm based on a manifold learning sampling strategy, which guides efficient sampling by capturing low-dimensional manifold structures in high-dimensional objective spaces to solve high-dimensional optimization challenges under complex aerodynamic constraints.
Although SAEAs perform well for low-dimensional optimization, they still face a severe “curse of dimensionality” in the high-dimensional design spaces brought by the refined design of modern high-performance turbomachinery. He et al. [
10] pointed out that high-dimensional design spaces not only dilute sample point distributions, leading to a sharp drop in surrogate model accuracy, but also significantly slow down the convergence of evolutionary algorithms. Jin [
11] summarized that effectively managing surrogate models and extracting key information from high-dimensional spaces is one of the core challenges for future SAEAs under limited computational resources. To alleviate modeling pressure in high-dimensional spaces, dimension reduction and feature selection techniques have become research hotspots. Hou et al. [
12] systematically reviewed dimension-reduction methods in engineering design and concluded that feature selection can significantly reduce modeling complexity while improving surrogate accuracy. In specific applications, Bird et al. [
13] compared principal component analysis and nonlinear manifold learning for compressor blade optimization and verified the potential of dimension reduction for real-time performance prediction. For manufacturing and operational uncertainties, Wang et al. [
14] proposed a feature-selection-based high-dimensional uncertainty quantification method, identifying 41 features affecting mass flow and 66 features affecting efficiency from 291 uncertainty features; on this basis, Wang et al. [
15] further used this method to accurately identify the 15 most critical features responsible for performance dispersion in a multistage compressor, enabling low-cost robustness control.
With the development of artificial intelligence, surrogate models in SAEAs have evolved from early response surface models, Kriging models, or radial basis function models toward higher-order machine learning models such as neural networks and deep learning [
16]. Owing to strong nonlinear approximation capability, these models show greater predictive potential in high-dimensional spaces; however, their inherent “black box” nature introduces new challenges. In recent years, advances in XAI have provided new methods for “black box” optimization, and improving the transparency and decision reliability of optimization algorithms using XAI is an important future direction [
17]. XAI techniques represented by SHAP [
18] provide interpretability for surrogate models. In optimization, Li et al. [
19] introduced XAI into an SAEA framework and used interpretable machine learning models to analyze population features, guiding crossover and mutation operations and significantly accelerating convergence for MOO. For design space exploration, Palar et al. [
20] proposed a multi-objective exploration method based on interpretable surrogate models and used SHAP to analyze complex relationships among wing design variables. For turbomachinery, Wang et al. [
21] used SHAP to analyze the influence of geometric uncertainty on a transonic rotor’s performance deviation and the underlying mechanisms under different operating conditions. Cheng et al. [
22] developed a fan aerodynamic robustness optimization platform based on interpretable dynamic machine learning, demonstrating the advantages of XAI in improving design reliability.
At present, SAEAs still play a key role in addressing the MOO problems of high-dimensional complex systems. However, a review of past studies reveals certain limitations. In dimension reduction or feature selection, most studies adopt a “static” strategy, i.e., selecting features based on initial samples before optimization and removing features deemed unimportant to reduce dimensionality. This static treatment has significant limitations because it ignores the dynamic evolution of feature importance during optimization. Some recent studies have begun to introduce adaptive spaces to alleviate the curse of dimensionality, which also reflects the necessity of dynamically adjusting the feature space during iterations [
23]. Some features may appear to have little impact on objectives at the early stage but may play a key role for small performance variations in local regions near the Pareto front. If such features are permanently eliminated in the early stages, the optimizer may fail to converge to the real global optimum at later stages. In addition, although XAI has shown great potential in aerodynamic optimization design, most existing studies treat it as a “post hoc analysis” tool rather than transforming its interpretability into an active optimization strategy.
Therefore, this paper proposes a new MOO method based on XAI-driven feature selection. The method integrates neural network surrogate model, SHAP analysis, and genetic algorithm. By comprehensively considering Pareto-front quality, surrogate model accuracy, and optimization preference, a composite evaluation indicator, Q, is defined as a feedback signal. This indicator guides a bidirectional feature selection process based on SHAP analysis, thereby establishing a dynamic, closed-loop process of simultaneous feature selection and MOO. Using this method, benchmark test data are first generated with mathematical functions to validate accuracy. The method is then applied to high-dimensional aerodynamic optimization of an ACF, obtaining a globally optimal Pareto front, selecting the optimal features, and analyzing the composition and sensitivity of features. Next, by comparing with a static feature selection strategy (i.e., without forward selection), the necessity of dynamically adjusting the feature space during optimization is further confirmed. Finally, the optimal design is determined based on the MOO results, and by analyzing the flow mechanisms underlying performance gains, the consistency between flow field improvements and feature selection results is verified.
2. Case Description
According to the overall design requirements of an ACE, the ACF investigated in this paper adopts a dual-bypass configuration, as shown in
Figure 1. It features a separated-stage architecture, comprising a single-stage front fan and a single-stage rear fan. The front fan operates without an inlet guide vane (IGV) and consists of one row of rotor blades and one row of stator vanes; in contrast, the rear fan consists of one row of IGVs, one row of rotor blades and one row of stator vanes. By adjusting the back pressure or mass flow at the core and bypass outlets, the operating condition of the ACF can be changed. Some of the key design parameters of the investigated ACF are listed in
Table 1, indicating that it represents a typical highly loaded ACF with a low bypass ratio.
For design optimization, parameterization is first required to extract the design features of blades and flow paths. The blade parameterization is shown in
Figure 2. Specific spanwise sections are selected: 10% (hub), 50% (mid-span), and 90% (shroud) spans for rotor blades; and 10% and 90% spans for the IGV and stator vanes. Control points are distributed along the camber line of each section from the leading edge to the trailing edge. Specifically, five control points are assigned to rotor blades and stator vanes, while three are used for the IGV. At each control point, an angle parameter (
) and a thickness parameter (
) are defined. To clarify the nomenclature, taking
as an example, the subscript ’R1’ denotes the specific component (front fan rotor), ‘M’ indicates the spanwise location (Mid-span, i.e., 50% span, alongside ‘H’ for Hub and ‘S’ for Shroud), and ‘3’ refers to the sequential number of the geometric control point along the camber line (the third out of five points). Thus, this parameter represents the angle at the third control point on the 50% span section of the front fan rotor; other parameters are defined analogously. In addition, the tip clearances of the front fan rotor (
) and rear fan rotor (
) are considered. For the splitter, three parameters are defined: transition radius (
), axial width (
), and radial height (
), as shown in
Figure 1. Moreover, since the variations in features alter the ACF performance and operating point, two operating condition parameters are included, namely the core outlet back pressure (PbC) and the bypass outlet back pressure (PbB), to analyze the influence of operating condition variations. In total, 119 features are defined, with detailed definitions provided in
Table 2. The total number of parameters in the last column of
Table 2 is systematically calculated. For instance, the 31 variables for the front fan rotor consist of 30 profile parameters (3 spanwise sections
5 control points per section
2 parameter types, namely
and
) plus 1 tip clearance parameter (
). Other numbers are calculated similarly.
In this paper, six key performance parameters of the ACF are evaluated: total mass flow , bypass ratio , core pressure ratio , core efficiency , bypass pressure ratio , and bypass efficiency . Since the core mass flow and bypass mass flow can be derived from these variables, these six parameters are selected as the study outputs. The core and bypass pressure ratios are defined as the ratios of the total pressure at their respective outlets to the inlet total pressure. Correspondingly, the core and bypass efficiencies are calculated based on the associated pressure and temperature ratios.
3. Methodology
This paper proposes a new MOO method based on XAI-driven feature selection, as illustrated in
Figure 3. First, parameterization is performed to extract all design features. Due to the large number of features and the high dimensionality of the problem, sampling is employed to construct the sample space. Then, CFD simulations are conducted to evaluate the ACF performance at the sampled points. A neural network is then utilized to establish a surrogate model that maps input features to performance parameters. This surrogate model serves as the evaluation function, and a genetic algorithm is executed for optimization within the search space defined by the current feature subset. Based on the optimization results, the feature selection strategy is determined. SHAP is used to compute feature importance; low-sensitivity features are eliminated via backward selection, while high-sensitivity features are incorporated via forward selection. Consequently, the feature subset is dynamically updated and iterated during the optimization process, ensuring that the MOO converges to the global optimum. The proposed method establishes a dynamic closed-loop iteration of feature selection and MOO. This approach overcomes the limitations of static feature selection and effectively prevents the optimization process from becoming trapped in local optima, thereby yielding global optimal solutions. Furthermore, by leveraging SHAP as the core XAI tool, its interpretability is utilized not only for post hoc analysis but also to directly inform updates to the feature space, further improving the method’s accuracy. Detailed descriptions are provided below.
3.1. Sampling Method
To improve sampling efficiency while ensuring computational accuracy and to fully explore the design space of high-dimensional variables, Latin hypercube sampling (LHS) is adopted for the design of experiments. LHS, first proposed by McKay et al. [
24] in 1979, is a multi-dimensional stratified sampling technique capable of efficiently generating a representative sample set from multivariate parameter distributions. In contrast to traditional simple random sampling (e.g., Monte Carlo sampling), LHS demonstrates superior space-filling properties and significant variance reduction [
25]. For a given sample size, LHS avoids sample clustering and ensures that sample points are uniformly distributed throughout the hypercube space, covering the full ranges of all variables while capturing nonlinear relationships. Therefore, more accurate statistical estimates can be obtained at a lower computational cost. In this paper, LHS is used to generate the sample space of input features, providing a reliable dataset for subsequent studies.
3.2. Numerical Method
In this paper, three-dimensional CFD simulations are performed using ANSYS CFX 19.2, a commercial turbomachinery simulation software. Single-passage structured meshes are generated using TurboGrid and ICEM, as shown in
Figure 4. An H-O-H mesh topology is adopted: H-type meshes are used upstream, downstream, and within the passage, while an O-type mesh is applied around the blade to improve mesh quality on blade surfaces. To capture flow details within the rotor tip clearance more accurately, local refinement is performed in the tip-clearance region using an H-type mesh. The face angles of the mesh range from 28° to 161°, meeting the TurboGrid recommendation of 15–165°; the volume ratio is between 1 and 13, which also meets the requirement of being less than 15. The coupled solver, which solves the hydrodynamic equations as a single system with a multigrid-accelerated ILU linear solver, is used [
26]. The widely used two-equation SST turbulence model [
27] is adopted, as it can accurately capture flow fields with strong adverse pressure gradients and significant boundary-layer separation. The first layer height is set to 0.01 mm to ensure y+ < 1.0, meeting the requirement of the turbulence model. A grid independence study was conducted in our previous work [
28], where four different grid densities (1.2 M, 2.1 M, 3.2 M, and 4.6 M) were tested. The grid with 3.2 M elements was selected as an optimal trade-off between computational time and simulation accuracy.
At the inlet, a total temperature of 288.15 K and a total pressure of 101,325 Pa are imposed with axial inflow. Static pressure is specified at the outlets of both the core and bypass. The convergence criterion is defined as residuals falling below 1 × 10
−6 with monitored parameters varying by less than 1%. Furthermore,
Figure 5 shows the comparison of CFD and experimental results. The results indicate that the relative errors of the core pressure ratio and core efficiency are both less than 3%, which well satisfies the requirements of this study. More details regarding the numerical method, including the comprehensive grid independence analysis and experimental validation, can be found in our previous publication [
28].
3.3. Surrogate Model
Due to the robust nonlinear approximation capability of the neural network, it is employed to construct a surrogate model mapping input features to performance parameters. The network architecture comprises an input layer, two hidden layers, and an output layer. According to the universal approximation theorem proposed by Hornik et al. [
29], this structure theoretically possesses the ability to approximate any continuous function. To enhance the capture of complex nonlinear features and accelerate convergence, the hyperbolic tangent function is adopted as the activation function for the hidden layers. Meanwhile, the backpropagation algorithm [
30] is employed to optimize weights and biases iteratively to minimize prediction errors. Furthermore, a
k-fold cross-validation strategy [
31] is introduced to improve generalization capability and effectively mitigate the risk of overfitting.
The prediction accuracy of a neural network relies strongly on the network topology and training configurations. To achieve the best balance between underfitting and overfitting, key hyperparameters are systematically optimized. A grid search method [
32] is utilized to traverse the preset parameter space, covering the number of folds, hidden-layer nodes, batch size, learning rate, weight decay coefficient, and dropout rate, to minimize the normalized root mean square error (NRMSE) of the neural network model. Consequently, the parameter combination yielding the best generalization capability is obtained, as shown in
Table 3. Throughout the feature selection and MOO loops, a 5-fold cross-validation strategy is consistently applied to evaluate each temporary surrogate model. During each iteration, the entire dataset is randomly partitioned into five equally sized folds. The neural network is trained on four folds and validated on the remaining one, with this process repeated five times. This rigorous dynamic validation guarantees the robustness of the surrogate models and effectively mitigates the risk of overfitting as the dimensionality of the feature space varies.
3.4. Optimization Method
To address the multi-objective optimization problem in this paper, the Non-dominated Sorting Genetic Algorithm II (NSGA-II) proposed by Deb et al. [
33] is employed. As a benchmark algorithm in the field, NSGA-II significantly improves computational efficiency and solution-set diversity compared to traditional approaches by introducing fast non-dominated sorting, elitist preservation, and crowding distance calculation. These mechanisms effectively mitigate premature convergence and local clustering, ensuring that the final Pareto optimal solution set is uniformly distributed along the Pareto front. After multiple evolutionary iterations, when the pre-set termination criterion is met, the algorithm outputs a set of non-dominated solutions, providing decision makers with diverse trade-off options.
3.5. XAI Method
To overcome the inherent “black-box” nature of neural network models and quantify the contribution of input features to model predictions, SHAP is adopted as the core XAI tool. SHAP is a model-agnostic interpretability framework based on cooperative game theory. By computing the Shapley value of each feature, a complex model prediction can be decomposed as the sum of marginal contributions of individual features, enabling both global and local explanations of model behavior.
The core idea of SHAP is to construct an additive feature attribution model. For a given sample
, the Shapley value
of feature
represents the marginal contribution of this feature to the model output
relative to the expected baseline, and is defined as follows:
where
is the set of all features,
is any subset of features that does not contain feature
, and
and
are the sizes of these subsets, respectively. By computing the weighted average of the marginal contribution
of feature
across all possible feature coalitions, this formulation eliminates the influence of feature input order on importance assessment, thereby providing a fair and precise measurement of the contribution of feature
to the current prediction.
To evaluate feature importance from a global perspective, this paper defines the global feature importance
, which is calculated as the mean of the absolute Shapley values of feature
over the entire dataset [
34]:
where
is the number of samples. The metric
can be used to measure the average contribution of an input feature to the overall output deviation. A larger value indicates a more significant influence of the feature on the model prediction.
Based on the definition of the Shapley value, to quantify the coupling effect between the
-th feature and the
-th feature, a new metric is defined to measure the influence of the presence of the
-th feature on the Shapley value of the
-th feature:
where
denotes the Shapley value of the
-th feature given
, i.e., the influence of the
-th feature has been eliminated.
Furthermore, to quantify coupling effects among different features, the Shapley coupling effect values
can be computed for all samples according to Equation (3), and thus the global coupling effect metric
can be defined as:
where
is the number of samples. The metric
quantifies the global coupling effect between feature
and feature
. A positive value indicates a global strengthening coupling effect, whereas a negative value indicates a global weakening coupling effect.
Based on the global importance defined in Equation (2), this paper introduces a feature selection strategy based on a cumulative importance threshold. This approach aims to eliminate noise and redundancy while retaining key features. The specific implementation is as follows: first, all features are ranked in descending order according to , and the normalized cumulative importance is computed; then, the top k features with cumulative importance reaching a preset threshold (e.g., = 0.98 used in this paper) are selected to construct the optimal feature subset. This method ensures that the selected features account for at least 98% of the total feature attribution, thereby maximizing the retention of predictive capability while achieving effective dimensionality reduction.
3.6. Composite Evaluation Metric
To dynamically adjust the feature space during optimization, this paper defines a composite evaluation metric
Q to assess the current optimization performance and guide the update direction of the feature space. The definition is as follows:
The equation consists of three parts, with meanings as follows:
(1) HV, representing the quality of the Pareto front
Hypervolume (HV) [
35] is defined as the volume of the union of the hyper-rectangles enclosed by all non-dominated solutions in the solution set and a preset reference point. HV possesses strict monotonicity and is currently regarded as a comprehensive metric capable of characterizing both the convergence and diversity of a solution set. Its value reflects the coverage of the solution set within the objective space. A larger HV indicates that the solution set is not only closer to the true Pareto front (better convergence), but also broader and more uniformly distributed (better diversity).
(2) , representing the surrogate model accuracy
NRMSE is the normalized root mean square error of the surrogate model, which is defined as:
where
and
represent the maximum and minimum values of the true outputs in the dataset, respectively. For a model with multiple output parameters, the NRMSE is calculated as the average across all parameters. Here, k denotes the penalty factor, typically set to 2 or 3, which can be adjusted according to the specific problem. A larger k means a stronger penalty on model errors.
(3) , representing the preference for optimization objectives
In MOO, preference for optimization objectives can be introduced to guide the search direction of the optimization process. In the equation, is the normalized value of the -th optimization objective; is the weight coefficient of the objective, determined based on preference and subject to the constraint ; is the amplification coefficient, representing a reward for preference toward a specific optimization direction. It should be noted that the final results are sensitive to the user-defined parameters and . Because these parameters explicitly determine the preference for the optimization objectives, they directly influence the evolutionary trajectory of metric Q and the overall search direction. Consequently, varying and will guide the algorithm to retain features that specifically support the given design preferences. This characteristic demonstrates the method’s adaptability, ensuring that the selected features are highly aligned with specific design goals.
According to the definition of Q, a significant increase occurs only when the Pareto front exhibits both high diversity and convergence, which means the surrogate model is accurate, and the specified objective preferences are satisfied. In this paper, the trend of Q during iterations is used to determine the feature selection strategy. Specifically, if Q increases, it means the current feature selection is effective and the optimization performance improves. In this case, backward selection is performed: based on SHAP analysis, low-sensitivity features are eliminated according to the cumulative importance threshold to reduce the feature subset, and the next iteration proceeds. Conversely, if the decrease in Q exceeds a given threshold, the optimization process may be trapped in a local optimum due to missing features. In this case, forward selection is performed: the removed features are randomly regrouped and incorporated back to construct multiple temporary feature subsets. Then, multiple temporary surrogate models are trained, and SHAP analysis is employed to screen for high-sensitivity features to expand the feature subset, followed by the next iteration. Finally, if Q decreases sharply or shows no significant increase over successive iterations, the process is terminated. The result corresponding to the maximum Q is regarded as the global optimal solution and the optimal feature subset.
3.7. Method Validation
The machine learning algorithms in this study are implemented utilizing standard open-source libraries in Python (version 3.13.5). Specifically, the neural network surrogate models are implemented using PyTorch (version 2.9.0), and the feature importance evaluation is conducted using the widely recognized SHAP library. This ensures the algorithmic robustness and reproducibility of the method. Furthermore, to verify the effectiveness of the proposed method, a synthetic benchmark problem with a specific topological structure is constructed. The core idea is to employ nonlinear geometric synergy to constrain the size of the optimal feature subset, and to introduce an adversarial penalty term to mimic the negative effects caused by overfitting or feature redundancy.
The dataset
X is defined within a 100-dimensional feature space, which is partitioned into two mutually exclusive feature sets. The core feature set,
, comprises the first 60 features, representing the underlying physical laws of the system; system performance is maximized only when this set is fully selected. Conversely, the interference feature set,
, consists of the remaining 40 features, representing irrelevant noise or detrimental redundancy, where their selection leads to the degradation of the objective function value. To enforce the condition that the optimal solution must include the complete set of 60 core features, a strong nonlinear synergistic term based on the geometric mean is introduced into the formulation. The core score
is defined as follows:
where
is the linear base coefficient,
represents the synergistic reward coefficient, and
is the numerical stability constant. To address redundant features, an adversarial penalty term
based on the mean of interference features is designed, which is defined as:
where
is the penalty coefficient. This term simulates the penalty for model complexity or physical noise interference arising from the inclusion of redundant features.
Based on the definitions above, the two final optimization objectives are synthesized from the aforementioned components, with superimposed Gaussian white noise
, defined as follows:
The generated dataset comprises 100 feature variables and two optimization objectives, with a total of 250 samples, which is comparable to the sample size of the investigated case in this paper. The synthetic dataset described above is utilized to validate the method proposed in this paper. The optimization objectives are to maximize Obj_y1 and Obj_y2. The algorithm parameters are configured as follows: the population size is 150, the number of generations is 100, the penalty factor is
, the weight coefficients are
and
, and the amplification coefficient is
. The results are presented in
Figure 6.
Figure 6a illustrates the evolution of the Pareto front over iterations, where differently colored points represent Pareto fronts at different iterations, and the color indicates the number of features used in the current iteration.
Figure 6b shows the evolution trends of the metric parameters with iterations. As iterations proceed, the number of features gradually decreases, and the Pareto front shifts toward the upper right, indicating a steady improvement in optimization performance. When the decrease in
Q exceeds the preset threshold, forward selection is triggered. Accordingly, the number of features increases, and the Pareto front quality improves, confirming the effectiveness of forward selection. When the number of features decreases to 63, all 60 key features are included; at this point,
Q reaches its peak, and the Pareto front achieves its optimal. However, if this process continues and the number of features becomes less than 60, the Pareto front quality continues to deteriorate. This behavior aligns with the intrinsic characteristics of the dataset, thereby validating the accuracy and reliability of the proposed method.