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Bayesian optimization (BO) is an efficient method for optimizing expensive black-box functions. In real-world applications, BO often faces a major problem of missing values in inputs. The missing inputs can happen in two cases. First, the…

Machine Learning · Computer Science 2020-06-22 Phuc Luong , Dang Nguyen , Sunil Gupta , Santu Rana , Svetha Venkatesh

We study the novel problem of blackbox optimization of multiple objectives via multi-fidelity function evaluations that vary in the amount of resources consumed and their accuracy. The overall goal is to approximate the true Pareto set of…

Artificial Intelligence · Computer Science 2020-11-04 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Considering the difficulty of interpreting generative model output, there is significant current research focused on determining meaningful evaluation metrics. Several recent approaches utilize "precision" and "recall," borrowed from the…

Machine Learning · Computer Science 2025-02-28 Alexis Fox , Samarth Swarup , Abhijin Adiga

Although some information-theoretic measures of uncertainty or granularity have been proposed in rough set theory, these measures are only dependent on the underlying partition and the cardinality of the universe, independent of the lower…

Artificial Intelligence · Computer Science 2011-02-02 Ping Zhu , Qiaoyan Wen

Any given density matrix can be represented as an infinite number of ensembles of pure states. This leads to the natural question of how to uniquely select one out of the many, apparently equally suitable, possibilities. Following Jaynes'…

Quantum Physics · Physics 2025-04-23 Fabio Anza , James P. Crutchfield

Bayesian optimization is a popular formalism for global optimization, but its computational costs limit it to expensive-to-evaluate functions. A competing, computationally more efficient, global optimization framework is optimistic…

Machine Learning · Computer Science 2022-09-05 Julia Grosse , Cheng Zhang , Philipp Hennig

Bayesian optimization (BO) is a powerful method for optimizing black-box manufacturing processes, but its performance is often limited when dealing with high-dimensional multi-stage systems, where we can observe intermediate outputs.…

Machine Learning · Computer Science 2026-05-19 Saksham Kiroriwal , Julius Pfrommer , Jürgen Beyerer

Maximum entropy (MAXENT) method has a large number of applications in theoretical and applied machine learning, since it provides a convenient non-parametric tool for estimating unknown probabilities. The method is a major contribution of…

Data Analysis, Statistics and Probability · Physics 2020-12-18 A. E. Allahverdyan , N. H. Martirosyan

What is information? Is it physical? We argue that in a Bayesian theory the notion of information must be defined in terms of its effects on the beliefs of rational agents. Information is whatever constrains rational beliefs and therefore…

Data Analysis, Statistics and Probability · Physics 2016-09-08 Ariel Caticha

We consider the problem of global optimization of a function f from very noisy evaluations. We adopt a Bayesian sequential approach: evaluation points are chosen so as to reduce the uncertainty about the position of the global optimum of f,…

We consider Bayesian optimization of the output of a network of functions, where each function takes as input the output of its parent nodes, and where the network takes significant time to evaluate. Such problems arise, for example, in…

Machine Learning · Computer Science 2022-01-03 Raul Astudillo , Peter I. Frazier

Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and…

A bilevel optimization problem consists of two optimization problems nested as an upper- and a lower-level problem, in which the optimality of the lower-level problem defines a constraint for the upper-level problem. This paper considers…

Machine Learning · Computer Science 2026-02-27 Takuya Kanayama , Yuki Ito , Tomoyuki Tamura , Masayuki Karasuyama

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

Information-theoretic (IT) measures are ubiquitous in artificial intelligence: entropy drives decision-tree splits and uncertainty quantification, cross-entropy is the default classification loss, mutual information underpins representation…

Artificial Intelligence · Computer Science 2026-04-28 Nikolaos Al. Papadopoulos , Konstantinos E. Psannis

Herding is a deterministic algorithm used to generate data points that can be regarded as random samples satisfying input moment conditions. The algorithm is based on the complex behavior of a high-dimensional dynamical system and is…

Machine Learning · Statistics 2023-05-10 Hiroshi Yamashita , Hideyuki Suzuki , Kazuyuki Aihara

Optimization algorithms appear in the core calculations of numerous Artificial Intelligence (AI) and Machine Learning methods, as well as Engineering and Business applications. Following recent works on the theoretical deficiencies of AI, a…

Optimization and Control · Mathematics 2024-10-29 Nikolaos P. Bakas , Vagelis Plevris , Andreas Langousis , Savvas A. Chatzichristofis

We consider the problem of diagnosing faults in a system represented by a Bayesian network, where diagnosis corresponds to recovering the most likely state of unobserved nodes given the outcomes of tests (observed nodes). Finding an optimal…

Artificial Intelligence · Computer Science 2012-07-09 Alice X. Zheng , Irina Rish , Alina Beygelzimer

Maximum entropy estimation is of broad interest for inferring properties of systems across many different disciplines. In this work, we significantly extend a technique we previously introduced for estimating the maximum entropy of a set of…

Data Analysis, Statistics and Probability · Physics 2016-01-05 Elliot A. Martin , Jaroslav Hlinka , Alexander Meinke , Filip Děchtěrenko , Jörn Davidsen

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e.…

Machine Learning · Computer Science 2023-12-13 Samuel Stanton , Wesley Maddox , Andrew Gordon Wilson