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Bayesian optimization (BO) is among the most effective and widely-used blackbox optimization methods. BO proposes solutions according to an explore-exploit trade-off criterion encoded in an acquisition function, many of which are computed…

Machine Learning · Computer Science 2021-02-19 Louis C. Tiao , Aaron Klein , Matthias Seeger , Edwin V. Bonilla , Cedric Archambeau , Fabio Ramos

We introduce a Bayesian perspective for the structured matrix factorization problem. The proposed framework provides a probabilistic interpretation for existing geometric methods based on determinant minimization. We model input data…

Machine Learning · Computer Science 2023-02-17 Gokcan Tatli , Alper T. Erdogan

Bayesian optimization (BO) is a popular method for black-box optimization, which relies on uncertainty as part of its decision-making process when deciding which experiment to perform next. However, not much work has addressed the effect of…

Machine Learning · Statistics 2023-01-18 Jonathan Foldager , Mikkel Jordahn , Lars Kai Hansen , Michael Riis Andersen

Likelihood-free methods, such as approximate Bayesian computation, are powerful tools for practical inference problems with intractable likelihood functions. Markov chain Monte Carlo and sequential Monte Carlo variants of approximate…

Computation · Statistics 2019-02-26 David J. Warne , Ruth E. Baker , Matthew J. Simpson

We consider the problem of distributionally robust multimodal machine learning. Existing approaches often rely on merging modalities on the feature level (early fusion) or heuristic uncertainty modeling, which downplays modality-aware…

Machine Learning · Computer Science 2025-11-11 Peilin Yang , Yu Ma

Due to the complexity of order statistics, the finite sample behaviour of robust statistics is generally not analytically solvable. While the Monte Carlo method can provide approximate solutions, its convergence rate is typically very slow,…

Methodology · Statistics 2024-09-12 Li Tuobang

We develop and analyze algorithms for distributionally robust optimization (DRO) of convex losses. In particular, we consider group-structured and bounded $f$-divergence uncertainty sets. Our approach relies on an accelerated method that…

Optimization and Control · Mathematics 2022-03-25 Yair Carmon , Danielle Hausler

Bayesian optimization is a powerful tool for solving real-world optimization tasks under tight evaluation budgets, making it well-suited for applications involving costly simulations or experiments. However, many of these tasks are also…

Machine Learning · Computer Science 2025-06-18 Paolo Ascia , Elena Raponi , Thomas Bäck , Fabian Duddeck

Computation of the marginal likelihood from a simulated posterior distribution is central to Bayesian model selection but is computationally difficult. I argue that the marginal likelihood can be reliably computed from a posterior sample by…

Instrumentation and Methods for Astrophysics · Physics 2010-06-24 Martin D. Weinberg

Multi-objective optimization (MOO) has received growing attention in applications that require learning under multiple criteria. However, the existing MOO formulations do not explicitly account for distributional shifts in the data. We…

Machine Learning · Computer Science 2026-05-08 Yufeng Yang , Fangning Zhuo , Ziyi Chen , Heng Huang , Yi Zhou

The Parallel C++ Statistical Library for the Quantification of Uncertainty for Estimation, Simulation and Optimization, Queso, is a collection of statistical algorithms and programming constructs supporting research into the quantification…

Computation · Statistics 2015-07-03 Damon McDougall , Nicholas Malaya , Robert D. Moser

Bayesian Optimization (BO) is a widely-used method for optimizing expensive-to-evaluate black-box functions. Traditional BO assumes that the learner has full control over all query variables without additional constraints. However, in many…

Machine Learning · Computer Science 2024-12-23 Vu Viet Hoang , Quoc Anh Hoang Nguyen , Hung Tran The

Optimised lightweight structures, such as shallow domes and slender towers, are prone to sudden buckling failure because geometric uncertainties/imperfections can lead to a drastic reduction in their buckling loads. We introduce a framework…

Numerical Analysis · Mathematics 2025-10-28 Tianyi Liu , Xiao Xiao , Fehmi Cirak

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

Optimization is becoming increasingly common in scientific and engineering domains. Oftentimes, these problems involve various levels of stochasticity or uncertainty in generating proposed solutions. Therefore, optimization in these…

Machine Learning · Statistics 2020-06-05 Peter D. Tonner , Daniel V. Samarov , A. Gilad Kusne

The standard asymmetric Laplace framework for Bayesian quantile regression (BQR) suffers from a fundamental decision-theoretic misalignment, yielding biased finite-sample estimates, and precludes gradient-based computation due to…

Methodology · Statistics 2026-01-14 Bingqi Liu , Kangqiang Li , Tianxiao Pang

This study considers multi-objective Bayesian optimization (MOBO) through the information gain of the Pareto-frontier. To calculate the information gain, a predictive distribution conditioned on the Pareto-frontier plays a key role, which…

Machine Learning · Computer Science 2025-09-04 Masanori Ishikura , Masayuki Karasuyama

We describe an embarrassingly parallel, anytime Monte Carlo method for likelihood-free models. The algorithm starts with the view that the stochasticity of the pseudo-samples generated by the simulator can be controlled externally by a…

Machine Learning · Computer Science 2015-12-03 Edward Meeds , Max Welling

Bayesian optimization is a data-efficient technique that has been shown to be extremely powerful to optimize expensive, black-box, and possibly noisy objective functions. Many applications involve optimizing probabilities and mixtures which…

Machine Learning · Computer Science 2026-03-11 Federico Pavesi , Antonio Candelieri , Noémie Jaquier

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of…

Machine Learning · Computer Science 2023-04-11 Masaki Adachi , Satoshi Hayakawa , Martin Jørgensen , Harald Oberhauser , Michael A. Osborne