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Real-world optimization problems often involve complex objective functions with costly evaluations. While Bayesian optimization (BO) with Gaussian processes is effective for these challenges, it suffers in high-dimensional spaces due to…

Machine Learning · Computer Science 2024-12-17 Nobuo Namura , Sho Takemori

Bayesian optimization is a sample-efficient approach to global optimization that relies on theoretically motivated value heuristics (acquisition functions) to guide its search process. Fully maximizing acquisition functions produces the…

Machine Learning · Statistics 2018-12-04 James T. Wilson , Frank Hutter , Marc Peter Deisenroth

Optimal design is a critical yet challenging task within many applications. This challenge arises from the need for extensive trial and error, often done through simulations or running field experiments. Fortunately, sequential optimal…

Machine Learning · Computer Science 2025-03-25 Xubo Yue , Raed Al Kontar , Albert S. Berahas , Yang Liu , Blake N. Johnson

This paper studies a classic maximum entropy sampling problem (MESP), which aims to select the most informative principal submatrix of a prespecified size from a covariance matrix. MESP has been widely applied to many areas, including…

Machine Learning · Statistics 2023-05-02 Yongchun Li , Weijun Xie

Bayesian optimization involves "inner optimization" over a new-data acquisition criterion which is non-convex/highly multi-modal, may be non-differentiable, or may otherwise thwart local numerical optimizers. In such cases it is common to…

Computation · Statistics 2022-05-23 Robert B. Gramacy , Annie Sauer , Nathan Wycoff

We propose and evaluate an iterative localization mechanism employing Bayesian inference to estimate the position of a target using received signal strength measurements. The probability density functions of the target's coordinates are…

Applications · Statistics 2020-03-05 Henrique Hilleshein , Carlos H. M. de Lima , Hirley Alves , Matti Latva-aho

In this paper we present and evaluate a search strategy called Decomposition Based Search (DBS) which is based on two steps: subproblem generation and subproblem solution. The generation of subproblems is done through value ranking and…

Artificial Intelligence · Computer Science 2007-05-23 W. J. van Hoeve , M. Milano

This paper presents a method called sampling-computation-optimization (SCO) to design batch Bayesian optimization. SCO does not construct new high-dimensional acquisition functions but samples from the existing one-site acquisition function…

Optimization and Control · Mathematics 2022-02-22 Kai Jia , Xiaojun Duan , Zhengming Wang , Liang Yan

This paper establishes the minimum entropy principle (MEP) for the relativistic Euler equations with a broad class of equations of state (EOSs) and addresses the challenge of preserving the local version of the discovered MEP in high-order…

Numerical Analysis · Mathematics 2025-03-18 Shumo Cui , Kailiang Wu , Linfeng Xu

We introduce Output-Space Search (OS-Search), which turns LLM generation into endpoint search. An outer loop selects a target z* in a frozen encoder-defined 3D output space Z, and a retrieval-grounded policy trained with sequence-level RL…

Computation and Language · Computer Science 2026-01-30 Tobias Materzok

Presently the only available method of exploring the 15-dimensional entropy region formed by the entropies of four random variables is the one of Zhang and Yeung from 1998. It is argued that their method is equivalent to solving linear…

Information Theory · Computer Science 2013-10-29 Laszlo Csirmaz

We are often interested in identifying the feasible subset of a decision space under multiple constraints to permit effective design exploration. If determining feasibility required computationally expensive simulations, the cost of…

Machine Learning · Computer Science 2020-06-25 Alma Rahat , Michael Wood

Inferring the causal structure of a system typically requires interventional data, rather than just observational data. Since interventional experiments can be costly, it is preferable to select interventions that yield the maximum amount…

Methodology · Statistics 2021-03-30 Michele Zemplenyi , Jeffrey W. Miller

Population-based search algorithms (PBSAs), including swarm intelligence algorithms (SIAs) and evolutionary algorithms (EAs), are competitive alternatives for solving complex optimization problems and they have been widely applied to…

Neural and Evolutionary Computing · Computer Science 2015-10-20 Guohua Wu

When applying machine learning to problems in NLP, there are many choices to make about how to represent input texts. These choices can have a big effect on performance, but they are often uninteresting to researchers or practitioners who…

Computation and Language · Computer Science 2015-03-03 Dani Yogatama , Noah A. Smith

Identifying leading measurement units from a large collection is a common inference task in various domains of large-scale inference. Testing approaches, which measure evidence against a null hypothesis rather than effect magnitude, tend to…

Methodology · Statistics 2020-11-17 Nicholas C. Henderson , Michael A. Newton

Efficient optimization of molecules with targeted properties remains a significant challenge due to the vast size and discrete nature of chemical compound space. Conventional machine-learning-based optimization approaches typically require…

Chemical Physics · Physics 2026-03-04 Yun-Wen Mao , Roman V. Krems

To optimize efficiently over discrete data and with only few available target observations is a challenge in Bayesian optimization. We propose a continuous relaxation of the objective function and show that inference and optimization can be…

Empirical Bayes (EB) improves the accuracy of simultaneous inference "by learning from the experience of others" (Efron, 2012). Classical EB theory focuses on latent variables that are iid draws from a fitted prior (Efron, 2019). Modern…

Methodology · Statistics 2025-12-24 Bohan Wu , Eli N. Weinstein , David M. Blei

We study Bayesian optimization (BO) in high-dimensional and non-stationary scenarios. Existing algorithms for such scenarios typically require extensive hyperparameter tuning, which limits their practical effectiveness. We propose a…

Machine Learning · Computer Science 2023-07-26 Fengxue Zhang , Jialin Song , James Bowden , Alexander Ladd , Yisong Yue , Thomas A. Desautels , Yuxin Chen