Global Numerical Constraints on Trees

We introduce a logical foundation to reason on tree structures with constraints on the number of node occurrences. Related formalisms are limited to express occurrence constraints on particular tree regions, as for instance the children of a given node. By contrast, the logic introduced in the present work can concisely express numerical bounds on any region, descendants or ancestors for instance. We prove that the logic is decidable in single exponential time even if the numerical constraints are in binary form. We also illustrate the usage of the logic in the description of numerical constraints on multi-directional path queries on XML documents. Furthermore, numerical restrictions on regular languages (XML schemas) can also be concisely described by the logic. This implies a characterization of decidable counting extensions of XPath queries and XML schemas. Moreover, as the logic is closed under negation, it can thus be used as an optimal reasoning framework for testing emptiness, containment and equivalence

Node harvest

When choosing a suitable technique for regression and classification with multivariate predictor variables, one is often faced with a tradeoff between interpretability and high predictive accuracy. To give a classical example, classification and regression trees are easy to understand and interpret. Tree ensembles like Random Forests provide usually more accurate predictions. Yet tree ensembles are also more difficult to analyze than single trees and are often criticized, perhaps unfairly, as `black box' predictors. Node harvest is trying to reconcile the two aims of interpretability and predictive accuracy by combining positive aspects of trees and tree ensembles. Results are very sparse and interpretable and predictive accuracy is extremely competitive, especially for low signal-to-noise data. The procedure is simple: an initial set of a few thousand nodes is generated randomly. If a new observation falls into just a single node, its prediction is the mean response of all training observation within this node, identical to a tree-like prediction. A new observation falls typically into several nodes and its prediction is then the weighted average of the mean responses across all these nodes. The only role of node harvest is to `pick' the right nodes from the initial large ensemble of nodes by choosing node weights, which amounts in the proposed algorithm to a quadratic programming problem with linear inequality constraints. The solution is sparse in the sense that only very few nodes are selected with a nonzero weight. This sparsity is not explicitly enforced. Maybe surprisingly, it is not necessary to select a tuning parameter for optimal predictive accuracy. Node harvest can handle mixed data and missing values and is shown to be simple to interpret and competitive in predictive accuracy on a variety of data sets.Comment: Published in at http://dx.doi.org/10.1214/10-AOAS367 the Annals of Applied Statistics (http://www.imstat.org/aoas/) by the Institute of Mathematical Statistics (http://www.imstat.org

Mixed-Integer Convex Nonlinear Optimization with Gradient-Boosted Trees Embedded

Decision trees usefully represent sparse, high dimensional and noisy data. Having learned a function from this data, we may want to thereafter integrate the function into a larger decision-making problem, e.g., for picking the best chemical process catalyst. We study a large-scale, industrially-relevant mixed-integer nonlinear nonconvex optimization problem involving both gradient-boosted trees and penalty functions mitigating risk. This mixed-integer optimization problem with convex penalty terms broadly applies to optimizing pre-trained regression tree models. Decision makers may wish to optimize discrete models to repurpose legacy predictive models, or they may wish to optimize a discrete model that particularly well-represents a data set. We develop several heuristic methods to find feasible solutions, and an exact, branch-and-bound algorithm leveraging structural properties of the gradient-boosted trees and penalty functions. We computationally test our methods on concrete mixture design instance and a chemical catalysis industrial instance