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GRANDE: Gradient-Based Decision Tree Ensembles for Tabular Data (2309.17130v3)

Published 29 Sep 2023 in cs.LG

Abstract: Despite the success of deep learning for text and image data, tree-based ensemble models are still state-of-the-art for machine learning with heterogeneous tabular data. However, there is a significant need for tabular-specific gradient-based methods due to their high flexibility. In this paper, we propose $\text{GRANDE}$, $\text{GRA}$die$\text{N}$t-Based $\text{D}$ecision Tree $\text{E}$nsembles, a novel approach for learning hard, axis-aligned decision tree ensembles using end-to-end gradient descent. GRANDE is based on a dense representation of tree ensembles, which affords to use backpropagation with a straight-through operator to jointly optimize all model parameters. Our method combines axis-aligned splits, which is a useful inductive bias for tabular data, with the flexibility of gradient-based optimization. Furthermore, we introduce an advanced instance-wise weighting that facilitates learning representations for both, simple and complex relations, within a single model. We conducted an extensive evaluation on a predefined benchmark with 19 classification datasets and demonstrate that our method outperforms existing gradient-boosting and deep learning frameworks on most datasets. The method is available under: https://github.com/s-marton/GRANDE

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Authors (4)
  1. Sascha Marton (11 papers)
  2. Stefan Lüdtke (20 papers)
  3. Christian Bartelt (29 papers)
  4. Heiner Stuckenschmidt (34 papers)
Citations (2)

Summary

  • The paper introduces GRANDE, an end-to-end gradient-based optimization method for decision tree ensembles tailored for tabular data.
  • It employs a novel instance-wise weighting mechanism and a softsign split function to enhance prediction accuracy and interpretability.
  • Rigorous evaluation on 19 binary classification datasets shows GRANDE outperforming traditional methods like XGBoost, CatBoost, and deep learning models such as NODE.

Overview of "GRANDE: Gradient-Based Decision Tree Ensembles for Tabular Data"

The paper introduces GRANDE, a novel method for constructing decision tree ensembles specifically designed for tabular data using end-to-end gradient-based optimization. Despite the proliferation of deep learning approaches in domains such as image and text processing, traditional ensemble models like tree-based methods remain the standard for heterogeneous tabular data. The paper contends that this is due to the unique challenges posed by such data, including feature heterogeneity and noise, which tree models inherently handle well through their axis-aligned splits.

Methodology

GRANDE builds upon earlier work, specifically the GradTree framework, by extending it to ensembles. It employs hard, axis-aligned decision trees which are formulated in a manner amenable to gradient descent. This is achieved by utilizing a dense representation of tree parameters, enabling backpropagation through the use of a straight-through (ST) operator to handle non-differentiable nodes.

A key innovation is the introduction of a novel weighting mechanism within the ensemble. Now, instead of applying uniform weights across individual estimators, GRANDE incorporates instance-wise weights, thereby allowing different parts of the model to specialize on different regions of the input space. This approach is shown to enhance both predictive accuracy and interpretability by better capturing local interactions.

Another core contribution is the introduction of an alternative to conventional split functions. The paper favors a softsign function, which offers more informative gradients during optimization compared to other transformations like sigmoid or entmoid.

Experimental Evaluation

The performance of GRANDE was rigorously evaluated on a benchmark comprising 19 diverse binary classification datasets. The results demonstrated that GRANDE not only outperforms traditional methods such as XGBoost and CatBoost, but also surpasses deep learning models like NODE on most datasets, showcasing its efficacy and flexibility. The method particularly shines in smaller dataset scenarios, suggesting robustness in generalizability, a critical property for real-world applications.

Implications and Future Prospects

The implications of GRANDE are significant in both theoretical and practical senses. Theoretically, it challenges the current perception that gradient-based techniques are unsuitable for tabular data by demonstrating impressive results with hard, axis-aligned splits—a marked departure from the smoother solutions typical in deep learning approaches. Practically, GRANDE could pave the way for more nuanced decision-making models in domains where tabular data dominate, such as finance and healthcare.

Future directions may involve integrating GRANDE with multimodal frameworks, or enhancing its architecture by leveraging novel regularization strategies or neural embeddings for categorical variables. Furthermore, the potential of stackable tree-based layers integrated into deep learning architectures could provide exciting avenues for future research.

Overall, this work extends the frontier of gradient-based optimization in tabular data modeling and positions GRANDE as a compelling alternative or complement to existing methods, thereby enriching the toolkit available to researchers and practitioners alike.

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