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Inverse Optimization (IO) is a framework for learning the unknown objective function of an expert decision-maker from a past dataset. In this paper, we extend the hypothesis class of IO objective functions to a reproducing kernel Hilbert…

Machine Learning · Computer Science 2024-11-01 Youyuan Long , Tolga Ok , Pedro Zattoni Scroccaro , Peyman Mohajerin Esfahani

Many real-world optimization problems involve uncertain parameters with probability distributions that can be estimated using contextual feature information. In contrast to the standard approach of first estimating the distribution of…

Machine Learning · Statistics 2023-08-03 Meng Qi , Paul Grigas , Zuo-Jun Max Shen

Generalized additive index models (GAIMs) offer a flexible semiparametric framework for capturing complex data relationships, balancing the interpretability of parametric models with the flexibility of nonparametric approaches. However,…

Methodology · Statistics 2026-05-29 Ziyu Peng , Linglingzhi Zhu , Yao Xie

We address the problem of optimizing over functions defined on node subsets in a graph. The optimization of such functions is often a non-trivial task given their combinatorial, black-box and expensive-to-evaluate nature. Although various…

Machine Learning · Computer Science 2025-01-07 Huidong Liang , Xingchen Wan , Xiaowen Dong

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

Modern machine learning algorithms usually involve tuning multiple (from one to thousands) hyperparameters which play a pivotal role in terms of model generalizability. Black-box optimization and gradient-based algorithms are two dominant…

Machine Learning · Computer Science 2021-02-19 Bin Gu , Guodong Liu , Yanfu Zhang , Xiang Geng , Heng Huang

We propose a unified information-geometric framework that formalizes understanding in learning as a trade-off between informativeness and geometric simplicity. An encoder phi is evaluated by U(phi) = I(phi(X); Y) - beta * C(phi), where…

Machine Learning · Computer Science 2025-11-05 Ronald Katende

Integrated Gradients (IG) is a common explainability technique to address the black-box problem of neural networks. Integrated gradients assumes continuous data. Graphs are discrete structures making IG ill-suited to graphs. In this work,…

Machine Learning · Computer Science 2025-09-10 Lachlan Simpson , Kyle Millar , Adriel Cheng , Cheng-Chew Lim , Hong Gunn Chew

Side information provides a pivotal role for message delivery in many communication scenarios to accommodate increasingly large data sets, e.g., caching networks. Although index coding provides a fundamental modeling framework to exploit…

Information Theory · Computer Science 2016-04-18 Yuanming Shi , Bamdev Mishra

Optimization over the set of matrices $X$ that satisfy $X^\top B X = I_p$, referred to as the generalized Stiefel manifold, appears in many applications involving sampled covariance matrices such as the canonical correlation analysis (CCA),…

Machine Learning · Computer Science 2025-11-11 Simon Vary , Pierre Ablin , Bin Gao , P. -A. Absil

Black-box optimization is a powerful approach for discovering global optima in noisy and expensive black-box functions, a problem widely encountered in real-world scenarios. Recently, there has been a growing interest in leveraging domain…

Machine Learning · Computer Science 2024-02-06 Dat Phan-Trong , Hung The Tran , Alistair Shilton , Sunil Gupta

Algebraic multigrid (AMG) is conventionally applied in a black-box fashion, agnostic to the underlying geometry. In this work, we propose that using geometric information -- when available -- to assist with setting up the AMG hierarchy is…

Numerical Analysis · Mathematics 2025-12-18 Songzhe Xu , Majid Rasouli , Robert M. Kirby , David Moxey , Hari Sundar

Integrated learning and optimization (ILO) is a framework in contextual optimization which aims to train a predictive model for the probability distribution of the underlying problem data uncertainty, with the goal of enhancing the quality…

Optimization and Control · Mathematics 2026-01-26 Yuan Tao , Huifu Xu

Smooth autonomous dynamical systems modeled by ordinary differential equations (ODEs) cannot robustly and globally stabilize a point in compact, boundaryless manifolds. This obstruction, which is topological in nature, implies that…

Optimization and Control · Mathematics 2022-12-08 Daniel E. Ochoa , Jorge I. Poveda

Real-world optimization problems may have a different underlying structure. In black-box optimization, the dependencies between decision variables remain unknown. However, some techniques can discover such interactions accurately. In Large…

Neural and Evolutionary Computing · Computer Science 2022-10-25 Marcin Michal Komarnicki , Michal Witold Przewozniczek , Halina Kwasnicka , Krzysztof Walkowiak

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization…

Machine Learning · Statistics 2022-10-13 Fusheng Liu , Haizhao Yang , Soufiane Hayou , Qianxiao Li

Gaussian variational approximation is a popular methodology to approximate posterior distributions in Bayesian inference especially in high dimensional and large data settings. To control the computational cost while being able to capture…

Machine Learning · Computer Science 2021-04-07 Bingxin Zhou , Junbin Gao , Minh-Ngoc Tran , Richard Gerlach

Gray-box optimization leverages the information available about the mathematical structure of an optimization problem to design efficient search operators. Efficient hill climbers and crossover operators have been proposed in the domain of…

Neural and Evolutionary Computing · Computer Science 2024-07-10 Francisco Chicano , Darrell Whitley , Gabriela Ochoa , Renato Tinós

High dimensional parameter space optimization is crucial in many applications. The parameters affecting this performance can be both numerical and categorical in their type. The existing techniques of black-box optimization and visual…

Human-Computer Interaction · Computer Science 2022-05-02 Anjul Tyagi

Global optimization of decision trees is a long-standing challenge in combinatorial optimization, yet such models play an important role in interpretable machine learning. Although the problem has been investigated for several decades, only…

Machine Learning · Computer Science 2026-02-03 Jiancheng Tu , Wenqi Fan , Zhibin Wu