CAT: Interpretable Concept-based Taylor Additive Models

As an emerging interpretable technique, Generalized Additive Models (GAMs) adopt neural networks to individually learn non-linear functions for each feature, which are then combined through a linear model for final predictions. Although GAMs can explain deep neural networks (DNNs) at the feature level, they require large numbers of model parameters and are prone to overfitting, making them hard to train and scale. Additionally, in real-world datasets with many features, the interpretability of feature-based explanations diminishes for humans. To tackle these issues, recent research has shifted towards concept-based interpretable methods. These approaches try to integrate concept learning as an intermediate step before making predictions, explaining the predictions in terms of human-understandable concepts. However, these methods require domain experts to extensively label concepts with relevant names and their ground-truth values. In response, we propose CAT, a novel interpretable Concept-bAsed Taylor additive model to simply this process. CAT does not have to require domain experts to annotate concepts and their ground-truth values. Instead, it only requires users to simply categorize input features into broad groups, which can be easily accomplished through a quick metadata review. Specifically, CAT first embeds each group of input features into one-dimensional high-level concept representation, and then feeds the concept representations into a new white-box Taylor Neural Network (TaylorNet). The TaylorNet aims to learn the non-linear relationship between the inputs and outputs using polynomials. Evaluation results across multiple benchmarks demonstrate that CAT can outperform or compete with the baselines while reducing the need of extensive model parameters. Importantly, it can explain model predictions through high-level concepts that human can understand.

Neural Symbolic Regression using Control Variables

Symbolic regression (SR) is a powerful technique for discovering the analytical mathematical expression from data, finding various applications in natural sciences due to its good interpretability of results. However, existing methods face scalability issues when dealing with complex equations involving multiple variables. To address this challenge, we propose SRCV, a novel neural symbolic regression method that leverages control variables to enhance both accuracy and scalability. The core idea is to decompose multi-variable symbolic regression into a set of single-variable SR problems, which are then combined in a bottom-up manner. The proposed method involves a four-step process. First, we learn a data generator from observed data using deep neural networks (DNNs). Second, the data generator is used to generate samples for a certain variable by controlling the input variables. Thirdly, single-variable symbolic regression is applied to estimate the corresponding mathematical expression. Lastly, we repeat steps 2 and 3 by gradually adding variables one by one until completion. We evaluate the performance of our method on multiple benchmark datasets. Experimental results demonstrate that the proposed SRCV significantly outperforms state-of-the-art baselines in discovering mathematical expressions with multiple variables. Moreover, it can substantially reduce the search space for symbolic regression. The source code will be made publicly available upon publication.