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The increasing availability of high-dimensional, longitudinal measures of gene expression can facilitate understanding of biological mechanisms, as required for precision medicine. Biological knowledge suggests that it may be best to…

应用统计 · 统计学 2025-04-18 Jiachen Cai , Robert J. B. Goudie , Colin Starr , Brian D. M. Tom

Parameter settings profoundly impact the performance of machine learning algorithms and laboratory experiments. The classical grid search or trial-error methods are exponentially expensive in large parameter spaces, and Bayesian…

机器学习 · 计算机科学 2017-04-18 Vu Nguyen , Santu Rana , Sunil Gupta , Cheng Li , Svetha Venkatesh

Bayesian deep Gaussian processes (DGPs) outperform ordinary GPs as surrogate models of complex computer experiments when response surface dynamics are non-stationary, which is especially prevalent in aerospace simulations. Yet DGP…

统计方法学 · 统计学 2024-08-12 Annie S. Booth , S. Ashwin Renganathan , Robert B. Gramacy

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

机器学习 · 计算机科学 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Bayesian optimization (BO) is an effective technique for black-box optimization. However, its applicability is typically limited to moderate-budget problems due to the cubic complexity of fitting the Gaussian process (GP) surrogate model.…

机器学习 · 统计学 2025-10-13 Qiyu Wei , Haowei Wang , Zirui Cao , Songhao Wang , Richard Allmendinger , Mauricio A Álvarez

Multi-fidelity approaches combine different models built on a scarce but accurate data-set (high-fidelity data-set), and a large but approximate one (low-fidelity data-set) in order to improve the prediction accuracy. Gaussian Processes…

机器学习 · 计算机科学 2020-06-30 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

From a pool of admissible designs, we aim to identify a structure that achieves a target macroscopic stress response. For each candidate, the response is obtained from a high-fidelity oracle, such as expensive computational homogenization…

计算工程、金融与科学 · 计算机科学 2026-05-12 Hooman Danesh , Henning Wessels

We present a novel decentralized algorithm for coverage control in unknown spatial environments modeled by Gaussian Processes (GPs). To trade-off between exploration and exploitation, each agent autonomously determines its trajectory by…

机器学习 · 计算机科学 2026-05-28 Gennaro Guidone , Luca Monegaglia , Elia Raimondi , Han Wang , Mattia Bianchi , Florian Dörfler

Many engineering problems involve the optimization of computationally expensive models for which derivative information is not readily available. The Bayesian optimization (BO) framework is a particularly promising approach for solving…

最优化与控制 · 数学 2022-02-10 Joel A. Paulson , Congwen Lu

Designing molecules that must satisfy multiple, often conflicting objectives is a central challenge in molecular discovery. The enormous size of chemical space and the cost of high-fidelity simulations have driven the development of machine…

机器学习 · 统计学 2025-12-22 Madhav R. Muthyala , Farshud Sorourifar , Tianhong Tan , You Peng , Joel A. Paulson

Bayesian optimization (BO) is a popular approach for optimizing expensive-to-evaluate black-box objective functions. An important challenge in BO is its application to high-dimensional search spaces due in large part to the curse of…

机器学习 · 计算机科学 2025-05-27 Wei-Ting Tang , Joel A. Paulson

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

计算工程、金融与科学 · 计算机科学 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

How can we efficiently gather information to optimize an unknown function, when presented with multiple, mutually dependent information sources with different costs? For example, when optimizing a robotic system, intelligently trading off…

机器学习 · 计算机科学 2018-11-05 Jialin Song , Yuxin Chen , Yisong Yue

Recent advances in the field of meta-learning have tackled domains consisting of large numbers of small ("few-shot") supervised learning tasks. Meta-learning algorithms must be able to rapidly adapt to any individual few-shot task, fitting…

机器学习 · 计算机科学 2021-10-22 Vivek Myers , Nikhil Sardana

In this paper we propose DKIBO, a Bayesian optimization (BO) algorithm that accommodates domain knowledge to tune exploration in the search space. Bayesian optimization has recently emerged as a sample-efficient optimizer for many…

人工智能 · 计算机科学 2023-11-28 Zikai Xie , Xenophon Evangelopoulos , Joseph Thacker , Andrew Cooper

In complex missions such as search and rescue,robots must make intelligent decisions in unknown environments, relying on their ability to perceive and understand their surroundings. High-quality and real-time reconstruction enhances…

机器人学 · 计算机科学 2024-10-10 Zijun Xu , Rui Jin , Ke Wu , Yi Zhao , Zhiwei Zhang , Jieru Zhao , Fei Gao , Zhongxue Gan , Wenchao Ding

Bayesian Optimization, the application of Bayesian function approximation to finding optima of expensive functions, has exploded in popularity in recent years. In particular, much attention has been paid to improving its efficiency on…

最优化与控制 · 数学 2022-05-18 Mickael Binois , Nathan Wycoff

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or…

机器学习 · 计算机科学 2023-06-05 Yashas Annadani , Panagiotis Tigas , Desi R. Ivanova , Andrew Jesson , Yarin Gal , Adam Foster , Stefan Bauer

We consider chance constrained optimization where it is sought to optimize a function while complying with constraints, both of which are affected by uncertainties. The high computational cost of realistic simulations strongly limits the…

Bayesian optimization (BO) is increasingly employed in critical applications such as materials design and drug discovery. An increasingly popular strategy in BO is to forgo the sole reliance on high-fidelity data and instead use an ensemble…

机器学习 · 统计学 2023-03-22 Zahra Zanjani Foumani , Mehdi Shishehbor , Amin Yousefpour , Ramin Bostanabad