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RiskBoundsandCalibrationforaSmart Predict-then-OptimizeMethod

Neural Information Processing Systems

Moreover, since the SPO loss is not continuous nor convex in general [Elmachtoub and Grigas, 2021], which makesthe training ofaprediction model computationally intractable, Elmachtoub and Grigas [2021] introduced a novel convex surrogate loss, referred to as the SPO+ loss.


Decision-Focused Sequential Experimental Design: A Directional Uncertainty-Guided Approach

Wan, Beichen, Liu, Mo, Grigas, Paul, Shen, Zuo-Jun Max

arXiv.org Machine Learning

We consider the sequential experimental design problem in the predict-then-optimize paradigm. In this paradigm, the outputs of the prediction model are used as coefficient vectors in a downstream linear optimization problem. Traditional sequential experimental design aims to control the input variables (features) so that the improvement in prediction accuracy from each experimental outcome (label) is maximized. However, in the predict-then-optimize setting, performance is ultimately evaluated based on the decision loss induced by the downstream optimization, rather than by prediction error. This mismatch between prediction accuracy and decision loss renders traditional decision-blind designs inefficient. To address this issue, we propose a directional-based metric to quantify predictive uncertainty. This metric does not require solving an optimization oracle and is therefore computationally tractable. We show that the resulting sequential design criterion enjoys strong consistency and convergence guarantees. Under a broad class of distributions, we demonstrate that our directional uncertainty-based design attains an earlier stopping time than decision-blind designs. This advantage is further supported by real-world experiments on an LLM job allocation problem.


Risk Bounds and Calibration for a Smart Predict-then-Optimize Method

Neural Information Processing Systems

The predict-then-optimize framework is fundamental in practical stochastic decision-making problems: first predict unknown parameters of an optimization model, then solve the problem using the predicted values. A natural loss function in this setting is defined by measuring the decision error induced by the predicted parameters, which was named the Smart Predict-then-Optimize (SPO) loss by Elmachtoub and Grigas [2021]. Since the SPO loss is typically nonconvex and possibly discontinuous, Elmachtoub and Grigas [2021] introduced a convex surrogate, called the SPO+ loss, that importantly accounts for the underlying structure of the optimization model. In this paper, we greatly expand upon the consistency results for the SPO+ loss provided by Elmachtoub and Grigas [2021]. We develop risk bounds and uniform calibration results for the SPO+ loss relative to the SPO loss, which provide a quantitative way to transfer the excess surrogate risk to excess true risk. By combining our risk bounds with generalization bounds, we show that the empirical minimizer of the SPO+ loss achieves low excess true risk with high probability. We first demonstrate these results in the case when the feasible region of the underlying optimization problem is a polyhedron, and then we show that the results can be strengthened substantially when the feasible region is a level set of a strongly convex function. We perform experiments to empirically demonstrate the strength of the SPO+ surrogate, as compared to standard $\ell_1$ and squared $\ell_2$ prediction error losses, on portfolio allocation and cost-sensitive multi-class classification problems.





Reviews: Generalization Bounds in the Predict-then-Optimize Framework

Neural Information Processing Systems

This paper considers a learning framework called predict-then-optimize. The problem in this setting is that parameters which are used in making predictions are not necessarily at hand when predictions should be made (costs of taking certain roads at particular moment are needed when a route has to be planned), and should be predicted before optimizing over them (in previous example, costs in the past are known and associated with other features known also at the moment). The interesting part of the framework is, that the learning problem used in learning the costs uses a loss function over error on the decision of the optimizer (SPO loss), instead of a direct error over the learned cost. In this framework, the authors provide several generalization bounds in different settings over a linear objective function, such as when feasible region where problem is solved is either polyhedron or any compact and convex region. They further work with stronger convexity assumptions and in their framework generalize margin guarantees for binary classification, and also give two modified versions of the SPO loss.


Risk Bounds and Calibration for a Smart Predict-then-Optimize Method

Neural Information Processing Systems

The predict-then-optimize framework is fundamental in practical stochastic decision-making problems: first predict unknown parameters of an optimization model, then solve the problem using the predicted values. A natural loss function in this setting is defined by measuring the decision error induced by the predicted parameters, which was named the Smart Predict-then-Optimize (SPO) loss by Elmachtoub and Grigas [2021]. Since the SPO loss is typically nonconvex and possibly discontinuous, Elmachtoub and Grigas [2021] introduced a convex surrogate, called the SPO loss, that importantly accounts for the underlying structure of the optimization model. In this paper, we greatly expand upon the consistency results for the SPO loss provided by Elmachtoub and Grigas [2021]. We develop risk bounds and uniform calibration results for the SPO loss relative to the SPO loss, which provide a quantitative way to transfer the excess surrogate risk to excess true risk.