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1. Fast Sparse Decision Tree Optimization via Reference Ensembles

   https://doi.org/10.1609/aaai.v36i9.21194  

   McTavish, Hayden ; Zhong, Chudi ; Achermann, Reto ; Karimalis, Ilias ; Chen, Jacques ; Rudin, Cynthia ; Seltzer, Margo ( June 2022 , Proceedings of the AAAI Conference on Artificial Intelligence)

   Sparse decision tree optimization has been one of the most fundamental problems in AI since its inception and is a challenge at the core of interpretable machine learning. Sparse decision tree optimization is computationally hard, and despite steady effort since the 1960's, breakthroughs have been made on the problem only within the past few years, primarily on the problem of finding optimal sparse decision trees. However, current state-of-the-art algorithms often require impractical amounts of computation time and memory to find optimal or near-optimal trees for some real-world datasets, particularly those having several continuous-valued features. Given that the search spaces of these decision tree optimization problems are massive, can we practically hope to find a sparse decision tree that competes in accuracy with a black box machine learning model? We address this problem via smart guessing strategies that can be applied to any optimal branch-and-bound-based decision tree algorithm. The guesses come from knowledge gleaned from black box models. We show that by using these guesses, we can reduce the run time by multiple orders of magnitude while providing bounds on how far the resulting trees can deviate from the black box's accuracy and expressive power. Our approach enables guesses about how to bin continuous features, the size of the tree, and lower bounds on the error for the optimal decision tree. Our experiments show that in many cases we can rapidly construct sparse decision trees that match the accuracy of black box models. To summarize: when you are having trouble optimizing, just guess. 

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2. Simulation-Assisted Optimization for Large-Scale Evacuation Planning with Congestion-Dependent Delays

   Islam, K A ; Chen, D Q ; Marathe, M ; Mortveit, H ; Swarup, S ; Vullikanti, A ( August 2023 , Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence (IJCAI-23))

   Evacuation planning is a crucial part of disaster management. However, joint optimization of its two essential components, routing and scheduling, with objectives such as minimizing average evacuation time or evacuation completion time, is a computationally hard problem. To approach it, we present MIP-LNS, a scalable optimization method that utilizes heuristic search with mathematical optimization and can optimize a variety of objective functions. We also present the method MIPLNS-SIM, where we combine agent-based simulation with MIP-LNS to estimate delays due to congestion, as well as, find optimized plans considering such delays. We use Harris County in Houston, Texas, as our study area. We show that, within a given time limit, MIP-LNS finds better solutions than existing methods in terms of three different metrics. However, when congestion dependent delay is considered, MIP-LNS-SIM outperforms MIP-LNS in multiple performance metrics. In addition, MIP-LNS-SIM has a significantly lower percent error in estimated evacuation completion time compared to MIP-LNS. 

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3. Fast Optimization of Weighted Sparse Decision Trees for use in Optimal Treatment Regimes and Optimal Policy Design

   Ali Behrouz, Mathias Lecuyer ( January 2022 , Workshop on Advances in Interpretable Machine Learning and Artificial Intelligence (AIMLAI) at CIKM, 2022.)

   Sparse decision trees are one of the most common forms of interpretable models. While recent advances have produced algorithms that fully optimize sparse decision trees for prediction, that work does not address policy design, because the algorithms cannot handle weighted data samples. Specifically, they rely on the discreteness of the loss function, which means that real-valued weights cannot be directly used. For example, none of the existing techniques produce policies that incorporate inverse propensity weighting on individual data points. We present three algorithms for efficient sparse weighted decision tree optimization. The first approach directly optimizes the weighted loss function; however, it tends to be computationally inefficient for large datasets. Our second approach, which scales more efficiently, transforms weights to integer values and uses data duplication to transform the weighted decision tree optimization problem into an unweighted (but larger) counterpart. Our third algorithm, which scales to much larger datasets, uses a randomized procedure that samples each data point with a probability proportional to its weight. We present theoretical bounds on the error of the two fast methods and show experimentally that these methods can be two orders of magnitude faster than the direct optimization of the weighted loss, without losing significant accuracy. 

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4. Hierarchical Shrinkage: Improving the Accuracy and Interpretability of Tree-Based Methods

   Agarwal, Abhineet ; Tan, Yan Shuo ; Ronen, Omer ; Singh, Chandan ; Yu, Bin ( June 2022 , Proceedings of Machine Learning Research)

   Tree-based models such as decision trees and random forests (RF) are a cornerstone of modern machine-learning practice. To mitigate overfitting, trees are typically regularized by a variety of techniques that modify their structure (e.g. pruning). We introduce Hierarchical Shrinkage (HS), a post-hoc algorithm that does not modify the tree structure, and instead regularizes the tree by shrinking the prediction over each node towards the sample means of its ancestors. The amount of shrinkage is controlled by a single regularization parameter and the number of data points in each ancestor. Since HS is a post-hoc method, it is extremely fast, compatible with any tree growing algorithm, and can be used synergistically with other regularization techniques. Extensive experiments over a wide variety of real world datasets show that HS substantially increases the predictive performance of decision trees, even when used in conjunction with other regularization techniques. Moreover, we find that applying HS to each tree in an RF often improves accuracy, as well as its interpretability by simplifying and stabilizing its decision boundaries and SHAP values. We further explain the success of HS in improving prediction performance by showing its equivalence to ridge regression on a (supervised) basis constructed of decision stumps associated with the internal nodes of a tree. All code and models are released in a full fledged package available on Github. 

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5. Stochastic Optimization Forests

   https://doi.org/10.1287/mnsc.2022.4458  

   Kallus, Nathan ; Mao, Xiaojie ( January 2022 , Management Science)

   We study contextual stochastic optimization problems, where we leverage rich auxiliary observations (e.g., product characteristics) to improve decision making with uncertain variables (e.g., demand). We show how to train forest decision policies for this problem by growing trees that choose splits to directly optimize the downstream decision quality rather than split to improve prediction accuracy as in the standard random forest algorithm. We realize this seemingly computationally intractable problem by developing approximate splitting criteria that use optimization perturbation analysis to eschew burdensome reoptimization for every candidate split, so that our method scales to large-scale problems. We prove that our splitting criteria consistently approximate the true risk and that our method achieves asymptotic optimality. We extensively validate our method empirically, demonstrating the value of optimization-aware construction of forests and the success of our efficient approximations. We show that our approximate splitting criteria can reduce running time hundredfold while achieving performance close to forest algorithms that exactly reoptimize for every candidate split. This paper was accepted by Hamid Nazerzadeh, data science. 

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