Explainable machine learning techniques have gained increasing attention in engineering applications, especially in aerospace design and analysis, where understanding how input variables influence data-driven models is essential. Partial Dependence Plots (PDPs) are widely used for interpreting black-box models by showing the average effect of an input variable on the prediction. However, their global sensitivity metric can be misleading when strong interactions are present, as averaging tends to obscure interaction effects. To address this limitation, we propose a global sensitivity metric based on Individual Conditional Expectation (ICE) curves. The method computes the expected feature importance across ICE curves, along with their standard deviation, to more effectively capture the influence of interactions. We provide a mathematical proof demonstrating that the PDP-based sensitivity is a lower bound of the proposed ICE-based metric under truncated orthogonal polynomial expansion. In addition, we introduce an ICE-based correlation value to quantify how interactions modify the relationship between inputs and the output. Comparative evaluations were performed on three cases: a 5-variable analytical function, a 5-variable wind-turbine fatigue problem, and a 9-variable airfoil aerodynamics case, where ICE-based sensitivity was benchmarked against PDP, SHapley Additive exPlanations (SHAP), and Sobol' indices. The results show that ICE-based feature importance provides richer insights than the traditional PDP-based approach, while visual interpretations from PDP, ICE, and SHAP complement one another by offering multiple perspectives.

A fundamental exercise in machine learning is the approximation of a function of several to many variables given values of the function, often contaminated with noise, at observed joint values of the input variables. The result can then be used to estimate unknown function values given corresponding inputs. The goal is to accurately estimate the underlying (non noisy) outcome values since the noise is by definition unpredictable. To the extent that this is successful the estimated function may, in addition, be used to try to understand underlying phenomena giving rise to the data. Even when prediction accuracy is the dominate concern, being able to comprehend the way in which the input variables are jointly combining to produce predictions may lead to important sanity checks on the validity of the function estimate. Besides accuracy, the success of this latter exercise requires that the structure of the function estimate be represented in a comprehensible form.

One of the most popular approaches to understanding feature effects of modern black box machine learning models are partial dependence plots (PDP). These plots are easy to understand but only able to visualize low order dependencies. The paper is about the question 'How much can we see?': A framework is developed to quantify the explainability of arbitrary machine learning models, i.e. up to what degree the visualization as given by a PDP is able to explain the predictions of the model. The result allows for a judgement whether an attempt to explain a black box model is sufficient or not.

Decision trees with binary splits are popularly constructed using Classification and Regression Trees (CART) methodology. For regression models, this approach recursively divides the data into two near-homogenous daughter nodes according to a split point that maximizes the reduction in sum of squares error (the impurity) along a particular variable. This paper aims to study the bias and adaptive properties of regression trees constructed with CART. In doing so, we derive an interesting connection between the bias and the mean decrease in impurity (MDI) measure of variable importance---a tool widely used for model interpretability---defined as the sum of impurity reductions over all non-terminal nodes in the tree. In particular, we show that the size of a terminal subnode for a variable is small when the MDI for that variable is large and that this relationship is exponential---confirming theoretically that decision trees with CART have small bias and are adaptive to signal strength and direction. Finally, we apply these individual tree bounds to tree ensembles and show consistency of Breiman's random forests. The context is surprisingly general and applies to a wide variety of multivariable data generating distributions and regression functions. The main technical tool is an exact characterization of the conditional probability content of the daughter nodes arising from an optimal split, in terms of the partial dependence function and reduction in impurity.

In the era of "big data", it is becoming more of a challenge to not only build state-of-the-art predictive models, but also gain an understanding of what's really going on in the data. For example, it is often of interest to know which, if any, of the predictors in a fitted model are relatively influential on the predicted outcome. Some modern algorithms---like random forests and gradient boosted decision trees---have a natural way of quantifying the importance or relative influence of each feature. Other algorithms---like naive Bayes classifiers and support vector machines---are not capable of doing so and model-free approaches are generally used to measure each predictor's importance. In this paper, we propose a standardized, model-based approach to measuring predictor importance across the growing spectrum of supervised learning algorithms. Our proposed method is illustrated through both simulated and real data examples. The R code to reproduce all of the figures in this paper is available in the supplementary materials.