Structured prediction models via the matrix-tree theorem

This paper provides an algorithmic framework for learning statistical models involving directed spanning trees, or equivalently non-projective dependency structures. We show how partition functions and marginals for directed spanning trees can be computed by an adaptation of Kirchhoff’s Matrix-Tree Theorem. To demonstrate an application of the method, we perform experiments which use the algorithm in training both log-linear and max-margin dependency parsers. The new training methods give improvements in accuracy over perceptron-trained models.Peer ReviewedPostprint (author’s final draft

Kernel methods in machine learning

We review machine learning methods employing positive definite kernels. These methods formulate learning and estimation problems in a reproducing kernel Hilbert space (RKHS) of functions defined on the data domain, expanded in terms of a kernel. Working in linear spaces of function has the benefit of facilitating the construction and analysis of learning algorithms while at the same time allowing large classes of functions. The latter include nonlinear functions as well as functions defined on nonvectorial data. We cover a wide range of methods, ranging from binary classifiers to sophisticated methods for estimation with structured data.Comment: Published in at http://dx.doi.org/10.1214/009053607000000677 the Annals of Statistics (http://www.imstat.org/aos/) by the Institute of Mathematical Statistics (http://www.imstat.org

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

On the Bayes-optimality of F-measure maximizers

The F-measure, which has originally been introduced in information retrieval, is nowadays routinely used as a performance metric for problems such as binary classification, multi-label classification, and structured output prediction. Optimizing this measure is a statistically and computationally challenging problem, since no closed-form solution exists. Adopting a decision-theoretic perspective, this article provides a formal and experimental analysis of different approaches for maximizing the F-measure. We start with a Bayes-risk analysis of related loss functions, such as Hamming loss and subset zero-one loss, showing that optimizing such losses as a surrogate of the F-measure leads to a high worst-case regret. Subsequently, we perform a similar type of analysis for F-measure maximizing algorithms, showing that such algorithms are approximate, while relying on additional assumptions regarding the statistical distribution of the binary response variables. Furthermore, we present a new algorithm which is not only computationally efficient but also Bayes-optimal, regardless of the underlying distribution. To this end, the algorithm requires only a quadratic (with respect to the number of binary responses) number of parameters of the joint distribution. We illustrate the practical performance of all analyzed methods by means of experiments with multi-label classification problems

A Framework for Unbiased Model Selection Based on Boosting

Variable selection and model choice are of major concern in many statistical applications, especially in high-dimensional regression models. Boosting is a convenient statistical method that combines model fitting with intrinsic model selection. We investigate the impact of base-learner specification on the performance of boosting as a model selection procedure. We show that variable selection may be biased if the covariates are of different nature. Important examples are models combining continuous and categorical covariates, especially if the number of categories is large. In this case, least squares base-learners offer increased flexibility for the categorical covariate and lead to a preference even if the categorical covariate is non-informative. Similar difficulties arise when comparing linear and nonlinear base-learners for a continuous covariate. The additional flexibility in the nonlinear base-learner again yields a preference of the more complex modeling alternative. We investigate these problems from a theoretical perspective and suggest a framework for unbiased model selection based on a general class of penalized least squares base-learners. Making all base-learners comparable in terms of their degrees of freedom strongly reduces the selection bias observed in naive boosting specifications. The importance of unbiased model selection is demonstrated in simulations and an application to forest health models