Automatic knot selection in smooth additive models

B-spline regression constitutes a widely used framework for nonparametric modeling. The performance of this methodology depends on specifying the number and placement of changepoints, known as knots, prior to the estimation process. Such knot sequence determines the dimension of the B-spline basis used to represent the regression function and the number of coefficients to be estimated. Therefore, the knots' choice affects the model's flexibility, influencing its smoothness and goodness-of-fit. Traditionally, this problem has been addressed either by explicitly selecting knots, via knot-selection algorithms, or by regularization methods, such as P-splines, which automatically tune the regressor's smoothness. The latter have become the standard in generalized additive models (GAMs). In contrast, knot-selection techniques, frequently neglected because of computational or modeling limitations, provide certain advantages which can be valuable in some contexts. In this work, we introduce a novel explicit knot-selection technique for GAMs based on an extension of the adaptive splines (A-splines) knot selection methodology, combined with a customized Fellner-Schall scheme for tuning the associated parameters. Our approach is evaluated on various synthetic and real datasets and compared with P-splines and state-of-the-art knot-selection techniques. The results indicate comparable performance, while producing models built on a substantially smaller number of basis elements.

Neural Additive and Basis Models with Feature Selection and Interactions

Deep neural networks (DNNs) exhibit attractive performance in various fields but often suffer from low interpretability. The neural additive model (NAM) and its variant called the neural basis model (NBM) use neural networks (NNs) as nonlinear shape functions in generalized additive models (GAMs). Both models are highly interpretable and exhibit good performance and flexibility for NN training. NAM and NBM can provide and visualize the contribution of each feature to the prediction owing to GAM-based architectures. However, when using two-input NNs to consider feature interactions or when applying them to high-dimensional datasets, training NAM and NBM becomes intractable due to the increase in the computational resources required. This paper proposes incorporating the feature selection mechanism into NAM and NBM to resolve computational bottlenecks. We introduce the feature selection layer in both models and update the selection weights during training. Our method is simple and can reduce computational costs and model sizes compared to vanilla NAM and NBM. In addition, it enables us to use two-input NNs even in high-dimensional datasets and capture feature interactions. We demonstrate that the proposed models are computationally efficient compared to vanilla NAM and NBM, and they exhibit better or comparable performance with state-of-the-art GAMs.