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The need to estimate smooth probability distributions (a.k.a. probability densities) from finite sampled data is ubiquitous in science. Many approaches to this problem have been described, but none is yet regarded as providing a definitive…

Data Analysis, Statistics and Probability · Physics 2015-09-16 Justin B. Kinney

In many real-world problems, we want to infer some property of an expensive black-box function $f$, given a budget of $T$ function evaluations. One example is budget constrained global optimization of $f$, for which Bayesian optimization is…

Machine Learning · Statistics 2021-07-07 Willie Neiswanger , Ke Alexander Wang , Stefano Ermon

We propose the Linearly Adaptive Cross Entropy Loss function. This is a novel measure derived from the information theory. In comparison to the standard cross entropy loss function, the proposed one has an additional term that depends on…

Machine Learning · Computer Science 2025-07-16 Jae Wan Shim

Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

In many real world problems, optimization decisions have to be made with limited information. The decision maker may have no a priori or posteriori data about the often nonconvex objective function except from on a limited number of points…

Optimization and Control · Mathematics 2011-11-10 Tansu Alpcan

We introduce Selective Greedy Equivalence Search (SGES), a restricted version of Greedy Equivalence Search (GES). SGES retains the asymptotic correctness of GES but, unlike GES, has polynomial performance guarantees. In particular, we show…

Machine Learning · Computer Science 2015-06-09 David Maxwell Chickering , Christopher Meek

Snapshot back-ended reduced basis methods for dynamical systems commonly rely on the singular value decomposition of a matrix whose columns are high-fidelity solution vectors. An alternative basis generation framework is developed here. The…

Numerical Analysis · Mathematics 2020-05-05 Fotios Kasolis , Markus Clemens

Contemporary global optimization algorithms are based on local measures of utility, rather than a probability measure over location and value of the optimum. They thus attempt to collect low function values, not to learn about the optimum.…

Machine Learning · Statistics 2011-12-07 Philipp Hennig , Christian J. Schuler

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

In this thesis we start by providing some detail regarding how we arrived at our present understanding of probabilities and how we manipulate them - the product and addition rules by Cox. We also discuss the modern view of entropy and how…

Data Analysis, Statistics and Probability · Physics 2009-01-21 Adom Giffin

Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

Graphical models are widely used to make inferences concerning interplay in multivariate systems. In many applications, data are collected from multiple related but nonidentical units whose underlying networks may differ but are likely to…

Methodology · Statistics 2014-12-04 Chris J. Oates , Jim Korkola , Joe W. Gray , Sach Mukherjee

Recently, neural architecture search (NAS) has been applied to automate the design of neural networks in real-world applications. A large number of algorithms have been developed to improve the search cost or the performance of the final…

Machine Learning · Computer Science 2022-06-20 Yao Shu , Yizhou Chen , Zhongxiang Dai , Bryan Kian Hsiang Low

Novelty search (NS) refers to a class of exploration algorithms that seek to uncover diverse system behaviors through simulations or experiments. Such diversity is central to many AI-driven discovery and design tasks, including material and…

Machine Learning · Statistics 2025-07-31 Wei-Ting Tang , Ankush Chakrabarty , Joel A. Paulson

Sampling from constrained distributions has a wide range of applications, including in Bayesian optimization and robotics. Prior work establishes convergence and feasibility guarantees for constrained sampling, but assumes that the feasible…

Machine Learning · Computer Science 2026-05-13 Cornelius V. Braun , Tilman Burghoff , Marc Toussaint

Event cameras rely on motion to obtain information about scene appearance. This means that appearance and motion are inherently linked: either both are present and recorded in the event data, or neither is captured. Previous works treat the…

Computer Vision and Pattern Recognition · Computer Science 2025-07-23 Shuang Guo , Friedhelm Hamann , Guillermo Gallego

Selecting the optimal combination of a machine learning (ML) algorithm and its hyper-parameters is crucial for the development of high-performance ML systems. However, since the combination of ML algorithms and hyper-parameters is enormous,…

Machine Learning · Computer Science 2025-02-14 Kazuki Ishikawa , Ryota Ozaki , Yohei Kanzaki , Ichiro Takeuchi , Masayuki Karasuyama

Most successful stochastic black-box optimizers, such as CMA-ES, use rankings of the individual samples to obtain a new search distribution. Yet, the use of rankings also introduces several issues such as the underlying optimization…

Machine Learning · Statistics 2022-06-14 Maximilian Hüttenrauch , Gerhard Neumann

The asymptotic convergence of probability density function (pdf) and convergence of differential entropy are examined for the non-stationary processes that follow the maximum entropy principle (MaxEnt) and maximum entropy production…

Information Theory · Computer Science 2014-01-14 Alexander L. Fradkov , Dmitry S. Shalymov

Both astronomy and biology are experiencing explosive growth of data, resulting in a "big data" problem that stands in the way of a "big data" opportunity for discovery. One common question asked of such data is that of approximate search…

Data Structures and Algorithms · Computer Science 2019-11-12 Najib Ishaq , George Student , Noah M. Daniels
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