Decision Tree Learning
RGMDT: Return-Gap-Minimizing Decision Tree Extraction in Non-Euclidean Metric Space
Chen, Jingdi, Zhou, Hanhan, Mei, Yongsheng, Joe-Wong, Carlee, Adam, Gina, Bastian, Nathaniel D., Lan, Tian
Deep Reinforcement Learning (DRL) algorithms have achieved great success in solving many challenging tasks while their black-box nature hinders interpretability and real-world applicability, making it difficult for human experts to interpret and understand DRL policies. Existing works on interpretable reinforcement learning have shown promise in extracting decision tree (DT) based policies from DRL policies with most focus on the single-agent settings while prior attempts to introduce DT policies in multi-agent scenarios mainly focus on heuristic designs which do not provide any quantitative guarantees on the expected return. In this paper, we establish an upper bound on the return gap between the oracle expert policy and an optimal decision tree policy. This enables us to recast the DT extraction problem into a novel non-euclidean clustering problem over the local observation and action values space of each agent, with action values as cluster labels and the upper bound on the return gap as clustering loss. Both the algorithm and the upper bound are extended to multi-agent decentralized DT extractions by an iteratively-grow-DT procedure guided by an action-value function conditioned on the current DTs of other agents. Further, we propose the Return-Gap-Minimization Decision Tree (RGMDT) algorithm, which is a surprisingly simple design and is integrated with reinforcement learning through the utilization of a novel Regularized Information Maximization loss. Evaluations on tasks like D4RL show that RGMDT significantly outperforms heuristic DT-based baselines and can achieve nearly optimal returns under given DT complexity constraints (e.g., maximum number of DT nodes).
Interpreting Microbiome Relative Abundance Data Using Symbolic Regression
Haldar, Swagatam, Stein-Thoeringer, Christoph, Borisov, Vadim
Understanding the complex interactions within the microbiome is crucial for developing effective diagnostic and therapeutic strategies. Traditional machine learning models often lack interpretability, which is essential for clinical and biological insights. This paper explores the application of symbolic regression (SR) to microbiome relative abundance data, with a focus on colorectal cancer (CRC). SR, known for its high interpretability, is compared against traditional machine learning models, e.g., random forest, gradient boosting decision trees. These models are evaluated based on performance metrics such as F1 score and accuracy. We utilize 71 studies encompassing, from various cohorts, over 10,000 samples across 749 species features. Our results indicate that SR not only competes reasonably well in terms of predictive performance, but also excels in model interpretability. SR provides explicit mathematical expressions that offer insights into the biological relationships within the microbiome, a crucial advantage for clinical and biological interpretation. Our experiments also show that SR can help understand complex models like XGBoost via knowledge distillation. To aid in reproducibility and further research, we have made the code openly available at https://github.com/swag2198/microbiome-symbolic-regression .
An explainable machine learning approach for energy forecasting at the household level
Béraud, Pauline, Rioux, Margaux, Babany, Michel, de La Chevasnerie, Philippe, Theis, Damien, Teodori, Giacomo, Pinguet, Chloé, Rigaud, Romane, Leclerc, François
Electricity forecasting has been a recurring research topic, as it is key to finding the right balance between production and consumption. While most papers are focused on the national or regional scale, few are interested in the household level. Desegregated forecast is a common topic in Machine Learning (ML) literature but lacks explainability that household energy forecasts require. This paper specifically targets the challenges of forecasting electricity use at the household level. This paper confronts common Machine Learning algorithms to electricity household forecasts, weighing the pros and cons, including accuracy and explainability with well-known key metrics. Furthermore, we also confront them in this paper with the business challenges specific to this sector such as explainability or outliers resistance. We introduce a custom decision tree, aiming at providing a fair estimate of the energy consumption, while being explainable and consistent with human intuition. We show that this novel method allows greater explainability without sacrificing much accuracy. The custom tree methodology can be used in various business use cases but is subject to limitations, such as a lack of resilience with outliers.
Explainable Moral Values: a neuro-symbolic approach to value classification
Lazzari, Nicolas, De Giorgis, Stefano, Gangemi, Aldo, Presutti, Valentina
This work explores the integration of ontology-based reasoning and Machine Learning techniques for explainable value classification. By relying on an ontological formalization of moral values as in the Moral Foundations Theory, relying on the DnS Ontology Design Pattern, the \textit{sandra} neuro-symbolic reasoner is used to infer values (fomalized as descriptions) that are \emph{satisfied by} a certain sentence. Sentences, alongside their structured representation, are automatically generated using an open-source Large Language Model. The inferred descriptions are used to automatically detect the value associated with a sentence. We show that only relying on the reasoner's inference results in explainable classification comparable to other more complex approaches. We show that combining the reasoner's inferences with distributional semantics methods largely outperforms all the baselines, including complex models based on neural network architectures. Finally, we build a visualization tool to explore the potential of theory-based values classification, which is publicly available at http://xmv.geomeaning.com/.
Global Censored Quantile Random Forest
In recent years, censored quantile regression has enjoyed an increasing popularity for survival analysis while many existing works rely on linearity assumptions. In this work, we propose a Global Censored Quantile Random Forest (GCQRF) for predicting a conditional quantile process on data subject to right censoring, a forest-based flexible, competitive method able to capture complex nonlinear relationships. Taking into account the randomness in trees and connecting the proposed method to a randomized incomplete infinite degree U-process (IDUP), we quantify the prediction process' variation without assuming an infinite forest and establish its weak convergence. Moreover, feature importance ranking measures based on out-of-sample predictive accuracy are proposed. We demonstrate the superior predictive accuracy of the proposed method over a number of existing alternatives and illustrate the use of the proposed importance ranking measures on both simulated and real data.
Conditional Density Estimation with Histogram Trees
Yang, Lincen, van Leeuwen, Matthijs
Conditional density estimation (CDE) goes beyond regression by modeling the full conditional distribution, providing a richer understanding of the data than just the conditional mean in regression. This makes CDE particularly useful in critical application domains. However, interpretable CDE methods are understudied. Current methods typically employ kernel-based approaches, using kernel functions directly for kernel density estimation or as basis functions in linear models. In contrast, despite their conceptual simplicity and visualization suitability, tree-based methods -- which are arguably more comprehensible -- have been largely overlooked for CDE tasks. Thus, we propose the Conditional Density Tree (CDTree), a fully non-parametric model consisting of a decision tree in which each leaf is formed by a histogram model. Specifically, we formalize the problem of learning a CDTree using the minimum description length (MDL) principle, which eliminates the need for tuning the hyperparameter for regularization. Next, we propose an iterative algorithm that, although greedily, searches the optimal histogram for every possible node split. Our experiments demonstrate that, in comparison to existing interpretable CDE methods, CDTrees are both more accurate (as measured by the log-loss) and more robust against irrelevant features. Further, our approach leads to smaller tree sizes than existing tree-based models, which benefits interpretability.
Generating Global and Local Explanations for Tree-Ensemble Learning Methods by Answer Set Programming
Takemura, Akihiro, Inoue, Katsumi
We propose a method for generating rule sets as global and local explanations for tree-ensemble learning methods using Answer Set Programming (ASP). To this end, we adopt a decompositional approach where the split structures of the base decision trees are exploited in the construction of rules, which in turn are assessed using pattern mining methods encoded in ASP to extract explanatory rules. For global explanations, candidate rules are chosen from the entire trained tree-ensemble models, whereas for local explanations, candidate rules are selected by only considering rules that are relevant to the particular predicted instance. We show how user-defined constraints and preferences can be represented declaratively in ASP to allow for transparent and flexible rule set generation, and how rules can be used as explanations to help the user better understand the models. Experimental evaluation with real-world datasets and popular tree-ensemble algorithms demonstrates that our approach is applicable to a wide range of classification tasks.
Decision trees as partitioning machines to characterize their generalization properties
Decision trees are popular machine learning models that are simple to build and easy to interpret. Even though algorithms to learn decision trees date back to almost 50 years, key properties affecting their generalization error are still weakly bounded. Hence, we revisit binary decision trees on real-valued features from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. Using this new concept, we are able to find the exact VC dimension of decision stumps, which is given by the largest integer d such that 2\ell \ge \binom{d}{\floor{\frac{d}{2}}}, where \ell is the number of real-valued features.
An Efficient Adversarial Attack for Tree Ensembles
We study the problem of efficient adversarial attacks on tree based ensembles such as gradient boosting decision trees (GBDTs) and random forests (RFs). Since these models are non-continuous step functions and gradient does not exist, most existing efficient adversarial attacks are not applicable. Although decision-based black-box attacks can be applied, they cannot utilize the special structure of trees. In our work, we transform the attack problem into a discrete search problem specially designed for tree ensembles, where the goal is to find a valid leaf tuple'' that leads to mis-classification while having the shortest distance to the original input. With this formulation, we show that a simple yet effective greedy algorithm can be applied to iteratively optimize the adversarial example by moving the leaf tuple to its neighborhood within hamming distance 1. Experimental results on several large GBDT and RF models with up to hundreds of trees demonstrate that our method can be thousands of times faster than the previous mixed-integer linear programming (MILP) based approach, while also providing smaller (better) adversarial examples than decision-based black-box attacks on general \ell_p ( p 1, 2, \infty) norm perturbations.
Exploring the Whole Rashomon Set of Sparse Decision Trees
In any given machine learning problem, there may be many models that could explain the data almost equally well. However, most learning algorithms return only one of these models, leaving practitioners with no practical way to explore alternative models that might have desirable properties beyond what could be expressed within a loss function. The Rashomon set is the set of these all almost-optimal models. Rashomon sets can be extremely complicated, particularly for highly nonlinear function classes that allow complex interaction terms, such as decision trees. We provide the first technique for completely enumerating the Rashomon set for sparse decision trees; in fact, our work provides the first complete enumeration of any Rashomon set for a non-trivial problem with a highly nonlinear discrete function class.