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. Our experiments highlight advantages in scalability, speed, and proof of optimality.Comment: 33rd Conference on Neural Information Processing Systems (NeurIPS 2019), Vancouver, Canad

Incremental Sampling-based Algorithms for Optimal Motion Planning

During the last decade, incremental sampling-based motion planning algorithms, such as the Rapidly-exploring Random Trees (RRTs) have been shown to work well in practice and to possess theoretical guarantees such as probabilistic completeness. However, no theoretical bounds on the quality of the solution obtained by these algorithms have been established so far. The first contribution of this paper is a negative result: it is proven that, under mild technical conditions, the cost of the best path in the RRT converges almost surely to a non-optimal value. Second, a new algorithm is considered, called the Rapidly-exploring Random Graph (RRG), and it is shown that the cost of the best path in the RRG converges to the optimum almost surely. Third, a tree version of RRG is introduced, called the RRT$^*$ algorithm, which preserves the asymptotic optimality of RRG while maintaining a tree structure like RRT. The analysis of the new algorithms hinges on novel connections between sampling-based motion planning algorithms and the theory of random geometric graphs. In terms of computational complexity, it is shown that the number of simple operations required by both the RRG and RRT$^*$ algorithms is asymptotically within a constant factor of that required by RRT.Comment: 20 pages, 10 figures, this manuscript is submitted to the International Journal of Robotics Research, a short version is to appear at the 2010 Robotics: Science and Systems Conference

Melding the Data-Decisions Pipeline: Decision-Focused Learning for Combinatorial Optimization

Creating impact in real-world settings requires artificial intelligence techniques to span the full pipeline from data, to predictive models, to decisions. These components are typically approached separately: a machine learning model is first trained via a measure of predictive accuracy, and then its predictions are used as input into an optimization algorithm which produces a decision. However, the loss function used to train the model may easily be misaligned with the end goal, which is to make the best decisions possible. Hand-tuning the loss function to align with optimization is a difficult and error-prone process (which is often skipped entirely). We focus on combinatorial optimization problems and introduce a general framework for decision-focused learning, where the machine learning model is directly trained in conjunction with the optimization algorithm to produce high-quality decisions. Technically, our contribution is a means of integrating common classes of discrete optimization problems into deep learning or other predictive models, which are typically trained via gradient descent. The main idea is to use a continuous relaxation of the discrete problem to propagate gradients through the optimization procedure. We instantiate this framework for two broad classes of combinatorial problems: linear programs and submodular maximization. Experimental results across a variety of domains show that decision-focused learning often leads to improved optimization performance compared to traditional methods. We find that standard measures of accuracy are not a reliable proxy for a predictive model's utility in optimization, and our method's ability to specify the true goal as the model's training objective yields substantial dividends across a range of decision problems.Comment: Full version of paper accepted at AAAI 201

A Fast Quartet Tree Heuristic for Hierarchical Clustering

The Minimum Quartet Tree Cost problem is to construct an optimal weight tree from the $3{n \choose 4}$ weighted quartet topologies on $n$ objects, where optimality means that the summed weight of the embedded quartet topologies is optimal (so it can be the case that the optimal tree embeds all quartets as nonoptimal topologies). We present a Monte Carlo heuristic, based on randomized hill climbing, for approximating the optimal weight tree, given the quartet topology weights. The method repeatedly transforms a dendrogram, with all objects involved as leaves, achieving a monotonic approximation to the exact single globally optimal tree. The problem and the solution heuristic has been extensively used for general hierarchical clustering of nontree-like (non-phylogeny) data in various domains and across domains with heterogeneous data. We also present a greatly improved heuristic, reducing the running time by a factor of order a thousand to ten thousand. All this is implemented and available, as part of the CompLearn package. We compare performance and running time of the original and improved versions with those of UPGMA, BioNJ, and NJ, as implemented in the SplitsTree package on genomic data for which the latter are optimized. Keywords: Data and knowledge visualization, Pattern matching--Clustering--Algorithms/Similarity measures, Hierarchical clustering, Global optimization, Quartet tree, Randomized hill-climbing,Comment: LaTeX, 40 pages, 11 figures; this paper has substantial overlap with arXiv:cs/0606048 in cs.D

A Static Optimality Transformation with Applications to Planar Point Location

Over the last decade, there have been several data structures that, given a planar subdivision and a probability distribution over the plane, provide a way for answering point location queries that is fine-tuned for the distribution. All these methods suffer from the requirement that the query distribution must be known in advance. We present a new data structure for point location queries in planar triangulations. Our structure is asymptotically as fast as the optimal structures, but it requires no prior information about the queries. This is a 2D analogue of the jump from Knuth's optimum binary search trees (discovered in 1971) to the splay trees of Sleator and Tarjan in 1985. While the former need to know the query distribution, the latter are statically optimal. This means that we can adapt to the query sequence and achieve the same asymptotic performance as an optimum static structure, without needing any additional information.Comment: 13 pages, 1 figure, a preliminary version appeared at SoCG 201