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 hard shape-constrained kernel machine


Hard Shape-Constrained Kernel Machines

Neural Information Processing Systems

Shape constraints (such as non-negativity, monotonicity, convexity) play a central role in a large number of applications, as they usually improve performance for small sample size and help interpretability. However enforcing these shape requirements in a hard fashion is an extremely challenging problem. Classically, this task is tackled (i) in a soft way (without out-of-sample guarantees), (ii) by specialized transformation of the variables on a case-by-case basis, or (iii) by using highly restricted function classes, such as polynomials or polynomial splines. In this paper, we prove that hard affine shape constraints on function derivatives can be encoded in kernel machines which represent one of the most flexible and powerful tools in machine learning and statistics. Particularly, we present a tightened second-order cone constrained reformulation, that can be readily implemented in convex solvers. We prove performance guarantees on the solution, and demonstrate the efficiency of the approach in joint quantile regression with applications to economics and to the analysis of aircraft trajectories, among others.


Review for NeurIPS paper: Hard Shape-Constrained Kernel Machines

Neural Information Processing Systems

Additional Feedback: Do you have any comments on how your hard shape constraint formulation affects overlapping quantiles versus the soft constraint (PDCD)? It would be more informative to display Figure 1 alongside plots from alternative methods. Is it reasonable to attribute the comments on l304 regarding non-crossing to the additional regularizing properties of the concavity constraint? Regarding Table 1, it seems SOC performs _worse_ than PDCD on 5/9 datasets. This opens the question of when and where are hard constraints more beneficial over soft constraints.


Review for NeurIPS paper: Hard Shape-Constrained Kernel Machines

Neural Information Processing Systems

Four knowledgeable reviewers recommend accept, on the basis that this paper provides a universal approach to hard shape-constrained supervised learning that is applicable to a wide range of problems of interest to the NeurIPS community.


Hard Shape-Constrained Kernel Machines

Neural Information Processing Systems

Shape constraints (such as non-negativity, monotonicity, convexity) play a central role in a large number of applications, as they usually improve performance for small sample size and help interpretability. However enforcing these shape requirements in a hard fashion is an extremely challenging problem. Classically, this task is tackled (i) in a soft way (without out-of-sample guarantees), (ii) by specialized transformation of the variables on a case-by-case basis, or (iii) by using highly restricted function classes, such as polynomials or polynomial splines. In this paper, we prove that hard affine shape constraints on function derivatives can be encoded in kernel machines which represent one of the most flexible and powerful tools in machine learning and statistics. Particularly, we present a tightened second-order cone constrained reformulation, that can be readily implemented in convex solvers. We prove performance guarantees on the solution, and demonstrate the efficiency of the approach in joint quantile regression with applications to economics and to the analysis of aircraft trajectories, among others.