Decision Tree Learning
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.
Tree in Tree: from Decision Trees to Decision Graphs
Decision trees have been widely used as classifiers in many machine learning applications thanks to their lightweight and interpretable decision process. This paper introduces Tree in Tree decision graph (TnT), a framework that extends the conventional decision tree to a more generic and powerful directed acyclic graph. The time complexity of TnT is linear to the number of nodes in the graph, therefore it can construct decision graphs on large datasets. Compared to decision trees, we show that TnT achieves better classification performance with reduced model size, both as a stand-alone classifier and as a base-estimator in bagging/AdaBoost ensembles. Our proposed model is a novel, more efficient and accurate alternative to the widely-used decision trees.
Decision Trees with Short Explainable Rules
Decision trees are widely used in many settings where interpretable models are preferred or required. There is indeed a vast literature on the design and analysis of decision tree algorithms that aim at optimizing these parameters.This paper contributes to this important line of research: we propose as a novel criterion of measuring the interpretability of a decision tree, the sparsity of the set of attributes that are (on average) required to explain the classification of the examples. We give a tight characterization of the best possible guarantees achievable by a decision tree built to optimize both our newmeasure (which we call the {\em explanation size}) and the more classical measures of worst-case and average depth. In particular, we give an algorithm that guarantees O(\ln n) -approximation (hence optimal if P eq NP) for the minimization of both the average/worst-case explanation size and the average/worst-case depth. In addition to our theoretical contributions, experiments with 20 real datasets show that our algorithm has accuracy competitive with CART while producing trees that allow for much simpler explanations.
Prediction by Machine Learning Analysis of Genomic Data Phenotypic Frost Tolerance in Perccottus glenii
Fan, Lilin, Chai, Xuqing, Tian, Zhixiong, Qiao, Yihang, Wang, Zhen, Zhang, Yifan
Analysis of the genome sequence of Perccottus glenii, the only fish known to possess freeze tolerance, holds significant importance for understanding how organisms adapt to extreme environments, Traditional biological analysis methods are time-consuming and have limited accuracy, To address these issues, we will employ machine learning techniques to analyze the gene sequences of Perccottus glenii, with Neodontobutis hainanens as a comparative group, Firstly, we have proposed five gene sequence vectorization methods and a method for handling ultra-long gene sequences, We conducted a comparative study on the three vectorization methods: ordinal encoding, One-Hot encoding, and K-mer encoding, to identify the optimal encoding method, Secondly, we constructed four classification models: Random Forest, LightGBM, XGBoost, and Decision Tree, The dataset used by these classification models was extracted from the National Center for Biotechnology Information database, and we vectorized the sequence matrices using the optimal encoding method, K-mer, The Random Forest model, which is the optimal model, achieved a classification accuracy of up to 99, 98 , Lastly, we utilized SHAP values to conduct an interpretable analysis of the optimal classification model, Through ten-fold cross-validation and the AUC metric, we identified the top 10 features that contribute the most to the model's classification accuracy, This demonstrates that machine learning methods can effectively replace traditional manual analysis in identifying genes associated with the freeze tolerance phenotype in Perccottus glenii.
Finite Sample Complexity Analysis of Binary Segmentation
Binary segmentation is the classic greedy algorithm which recursively splits a sequential data set by optimizing some loss or likelihood function. Binary segmentation is widely used for changepoint detection in data sets measured over space or time, and as a sub-routine for decision tree learning. In theory it should be extremely fast for $N$ data and $K$ splits, $O(N K)$ in the worst case, and $O(N \log K)$ in the best case. In this paper we describe new methods for analyzing the time and space complexity of binary segmentation for a given finite $N$, $K$, and minimum segment length parameter. First, we describe algorithms that can be used to compute the best and worst case number of splits the algorithm must consider. Second, we describe synthetic data that achieve the best and worst case and which can be used to test for correct implementation of the algorithm. Finally, we provide an empirical analysis of real data which suggests that binary segmentation is often close to optimal speed in practice.
Robustness Verification of Tree-based Models
We study the robustness verification problem of tree based models, including random forest (RF) and gradient boosted decision tree (GBDT). Formal robustness verification of decision tree ensembles involves finding the exact minimal adversarial perturbation or a guaranteed lower bound of it. Existing approaches cast this verification problem into a mixed integer linear programming (MILP) problem, which finds the minimal adversarial distortion in exponential time so is impractical for large ensembles. Although this verification problem is NP-complete in general, we give a more precise complexity characterization. We show that there is a simple linear time algorithm for verifying a single tree, and for tree ensembles the verification problem can be cast as a max-clique problem on a multi-partite boxicity graph.
Safety Verification of Decision-Tree Policies in Continuous Time
Decision trees have gained popularity as interpretable surrogate models for learning-based control policies. However, providing safety guarantees for systems controlled by decision trees is an open challenge. We show that the problem is undecidable even for systems with the simplest dynamics, and PSPACE-complete for finite-horizon properties. The latter can be verified for discrete-time systems via bounded model checking. However, for continuous-time systems, such an approach requires discretization, thereby weakening the guarantees for the original system. This paper presents the first algorithm to directly verify decision-tree controlled system in continuous time.
Optimal Sparse Decision Trees
Decision tree algorithms have been among the most popular algorithms for interpretable (transparent) machine learning since the early 1980's. The problem that has plagued decision tree algorithms since their inception is their lack of optimality, or lack of guarantees of closeness to optimality: decision tree algorithms are often greedy or myopic, and sometimes produce unquestionably suboptimal models. Hardness of decision tree optimization is both a theoretical and practical obstacle, and even careful mathematical programming approaches have not been able to solve these problems efficiently. This work introduces the first practical algorithm for optimal decision trees for binary variables. The algorithm is a co-design of analytical bounds that reduce the search space and modern systems techniques, including data structures and a custom bit-vector library.