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In spite of remarkable progress in deep latent variable generative modeling, training still remains a challenge due to a combination of optimization and generalization issues. In practice, a combination of heuristic algorithms (such as…

Machine Learning · Statistics 2018-10-02 Danilo Jimenez Rezende , Fabio Viola

Causal structure learning is a key problem in many domains. Causal structures can be learnt by performing experiments on the system of interest. We address the largely unexplored problem of designing a batch of experiments that each…

Machine Learning · Computer Science 2021-11-25 Scott Sussex , Andreas Krause , Caroline Uhler

Bayesian optimization (BO) has been widely used to optimize expensive and black-box functions across various domains. However, existing BO methods have not addressed tensor-output functions. To fill this gap, we propose a novel…

Machine Learning · Computer Science 2026-03-03 Jingru Huang , Haijie Xu , Jie Guo , Manrui Jiang , Chen Zhang

The multi-armed bandit(MAB) problem is a simple yet powerful framework that has been extensively studied in the context of decision-making under uncertainty. In many real-world applications, such as robotic applications, selecting an arm…

Machine Learning · Computer Science 2023-03-21 Tianpeng Zhang , Kasper Johansson , Na Li

Bayesian optimization (BO) has become popular for sequential optimization of black-box functions. When BO is used to optimize a target function, we often have access to previous evaluations of potentially related functions. This begs the…

Machine Learning · Computer Science 2022-06-17 Zhongxiang Dai , Yizhou Chen , Haibin Yu , Bryan Kian Hsiang Low , Patrick Jaillet

Contextual bandits aim to identify among a set of arms the optimal one with the highest reward based on their contextual information. Motivated by the fact that the arms usually exhibit group behaviors and the mutual impacts exist among…

Machine Learning · Computer Science 2022-06-13 Yunzhe Qi , Yikun Ban , Jingrui He

Bayesian optimization (BO) is a widely-used method for optimizing expensive (to evaluate) problems. At the core of most BO methods is the modeling of the objective function using a Gaussian Process (GP) whose covariance is selected from a…

Graph-structured data are central to many scientific and industrial applications where the goal is to optimize expensive black-box objectives defined over graph structures or node configurations -- as seen in molecular design, supply…

Optimization and Control · Mathematics 2026-04-22 Yilin Xie , Shiqiang Zhang , Jixiang Qing , Ruth Misener , Calvin Tsay

In this work, we discover that causal inference provides a promising approach to capture heterophilic message-passing in Graph Neural Network (GNN). By leveraging cause-effect analysis, we can discern heterophilic edges based on asymmetric…

Machine Learning · Computer Science 2024-11-28 Botao Wang , Jia Li , Heng Chang , Keli Zhang , Fugee Tsung

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

Machine Learning · Computer Science 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

Cardinality-constrained optimization (CCO) is a popular topic in sparse learning and signal recovery, yet remains challenging due to the inherent nonconvexity and discontinuity of cardinality constraints. This paper investigates the exact…

Optimization and Control · Mathematics 2026-05-19 Lili Pan , Huilin Xie , Xianchao Xiu , Jiyuan Tao

This paper investigates the performance of the Generalized Covariance estimator (GCov) in estimating and identifying mixed causal and noncausal models. The GCov estimator is a semi-parametric method that minimizes an objective function…

Econometrics · Economics 2024-01-11 Gianluca Cubadda , Francesco Giancaterini , Alain Hecq , Joann Jasiak

Graph neural networks (GNNs) have been developed to model the relationship between regions of interest (ROIs) in brains and have shown significant improvement in detecting brain diseases. However, most of these frameworks do not consider…

Machine Learning · Computer Science 2025-06-23 Falih Gozi Febrinanto , Adonia Simango , Chengpei Xu , Jingjing Zhou , Jiangang Ma , Sonika Tyagi , Feng Xia

This paper addresses the problem of scalable optimization for L1-regularized conditional Gaussian graphical models. Conditional Gaussian graphical models generalize the well-known Gaussian graphical models to conditional distributions to…

Machine Learning · Statistics 2015-12-29 Calvin McCarter , Seyoung Kim

In recent years, graph neural networks (GNNs) have become increasingly popular for solving NP-hard combinatorial optimization (CO) problems, such as maximum cut and maximum independent set. The core idea behind these methods is to represent…

Machine Learning · Computer Science 2024-06-11 Yang Liu , Peng Zhang , Yang Gao , Chuan Zhou , Zhao Li , Hongyang Chen

We study the problem of performance optimization of closed-loop control systems with unmodeled dynamics. Bayesian optimization (BO) has been demonstrated to be effective for improving closed-loop performance by automatically tuning…

Machine Learning · Computer Science 2023-01-31 Wenjie Xu , Colin N Jones , Bratislav Svetozarevic , Christopher R. Laughman , Ankush Chakrabarty

Binary optimization is a fundamental area in computational science, with wide-ranging applications from logistics to cryptography, where the tasks are often formulated as Quadratic or Polynomial Unconstrained Binary Optimization problems…

Quantum Physics · Physics 2024-12-20 Jean Cazalis , Tirth Shah , Yahui Chai , Karl Jansen , Stefan Kühn

Learning a causal directed acyclic graph from data is a challenging task that involves solving a combinatorial problem for which the solution is not always identifiable. A new line of work reformulates this problem as a continuous…

Machine Learning · Computer Science 2020-11-05 Philippe Brouillard , Sébastien Lachapelle , Alexandre Lacoste , Simon Lacoste-Julien , Alexandre Drouin

Learning the causal structure that underlies data is a crucial step towards robust real-world decision making. The majority of existing work in causal inference focuses on determining a single directed acyclic graph (DAG) or a Markov…

Machine Learning · Computer Science 2021-06-15 Yashas Annadani , Jonas Rothfuss , Alexandre Lacoste , Nino Scherrer , Anirudh Goyal , Yoshua Bengio , Stefan Bauer

Bayesian Optimization (BO) is typically used to optimize an unknown function $f$ that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically…

Machine Learning · Computer Science 2024-02-09 Anthony Bardou , Patrick Thiran , Thomas Begin
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