Rashomon sets can be large in size and complicated in structure, particularly for highly nonlinear function classes that allow complexinteraction terms, such asdecision trees.

Decision Tree Learning is a fundamental problem for Interpretable Machine Learning, yet it poses a formidable optimization challenge. Despite numerous efforts dating back to the early 1990's, practical algorithms have only recently emerged, primarily leveraging Dynamic Programming (DP) and Branch & Bound (B&B) techniques. These breakthroughs led to the development of two distinct approaches. Algorithms like DL8.5 and MurTree operate on the space of nodes (or branches), they are very fast, but do not penalise complex Decision Trees, i.e. they do not solve for sparsity. On the other hand, algorithms like OSDT and GOSDT operate on the space of Decision Trees, they solve for sparsity but at the detriment of speed. In this work, we introduce Branches, a novel algorithm that integrates the strengths of both paradigms. Leveraging DP and B&B, Branches achieves exceptional speed while also solving for sparsity. Central to its efficiency is a novel analytical bound enabling substantial pruning of the search space. Furthermore, Branches does not necessitate binary features. Theoretical analysis demonstrates that Branches has a lower complexity bound compared to state-of-the-art methods, a claim validated through extensive empirical evaluation. Our results illustrate that Branches outperforms the state of the art in terms of speed and number of iterations while consistently yielding optimal Decision Trees.

Decision trees are renowned for their interpretability capability to achieve high predictive performance, especially on tabular data. Traditionally, they are constructed through recursive algorithms, where they partition the data at every node in a tree. However, identifying the best partition is challenging, as decision trees optimized for local segments may not bring global generalization. To address this, we introduce MetaTree, which trains a transformer-based model on filtered outputs from classical algorithms to produce strong decision trees for classification. Specifically, we fit both greedy decision trees and optimized decision trees on a large number of datasets. We then train MetaTree to produce the trees that achieve strong generalization performance. This training enables MetaTree to not only emulate these algorithms, but also to intelligently adapt its strategy according to the context, thereby achieving superior generalization performance.

Decision trees remain one of the most popular machine learning models today, largely due to their out-of-the-box performance and interpretability. In this work, we present a Bayesian approach to decision tree induction via maximum a posteriori inference of a posterior distribution over trees. We first demonstrate a connection between maximum a posteriori inference of decision trees and AND/OR search. Using this connection, we propose an AND/OR search algorithm, dubbed MAPTree, which is able to recover the maximum a posteriori tree. Lastly, we demonstrate the empirical performance of the maximum a posteriori tree both on synthetic data and in real world settings. On 16 real world datasets, MAPTree either outperforms baselines or demonstrates comparable performance but with much smaller trees. On a synthetic dataset, MAPTree also demonstrates greater robustness to noise and better generalization than existing approaches. Finally, MAPTree recovers the maxiumum a posteriori tree faster than existing sampling approaches and, in contrast with those algorithms, is able to provide a certificate of optimality. The code for our experiments is available at https://github.com/ThrunGroup/maptree.

I often talk about explainable AI(XAI) methods and how they can be adapted to address a few pain points that prohibit companies from building and deploying AI solutions. You can check my blog if you need a quick refresher on XAI methods. One such XAI method is Decision Trees. They have gained significant traction historically because of their interpretability and simplicity. However, many think that decision trees cannot be accurate because they look simple, and greedy algorithms like C4.5 and CART don't optimize them well.

Decision tree optimization is notoriously difficult from a computational perspective but essential for the field of interpretable machine learning. Despite efforts over the past 40 years, only recently have optimization breakthroughs been made that have allowed practical algorithms to find optimal decision trees. These new techniques have the potential to trigger a paradigm shift where it is possible to construct sparse decision trees to efficiently optimize a variety of objective functions without relying on greedy splitting and pruning heuristics that often lead to suboptimal solutions. The contribution in this work is to provide a general framework for decision tree optimization that addresses the two significant open problems in the area: treatment of imbalanced data and fully optimizing over continuous variables. We present techniques that produce optimal decision trees over a variety of objectives including F-score, AUC, and partial area under the ROC convex hull. We also introduce a scalable algorithm that produces provably optimal results in the presence of continuous variables and speeds up decision tree construction by several orders of magnitude relative to the state-of-the art.