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High-Performance Computing (HPC) schedulers must balance user performance with facility-wide resource constraints. The task boils down to selecting the optimal number of nodes for a given job. We present a surrogate-assisted multi-objective…

Machine Learning · Computer Science 2026-01-23 Ashna Nawar Ahmed , Banooqa Banday , Terry Jones , Tanzima Z. Islam

We present mlrMBO, a flexible and comprehensive R toolbox for model-based optimization (MBO), also known as Bayesian optimization, which addresses the problem of expensive black-box optimization by approximating the given objective function…

Machine Learning · Statistics 2018-12-04 Bernd Bischl , Jakob Richter , Jakob Bossek , Daniel Horn , Janek Thomas , Michel Lang

This work presents cost-effective low-rank techniques for designing robust adaptive beamforming (RAB) algorithms. The proposed algorithms are based on the exploitation of the cross-correlation between the array observation data and the…

Computational Engineering, Finance, and Science · Computer Science 2016-08-24 H. Ruan , R. C. de Lamare

In numerous applications, surrogate models are used as a replacement for accurate parameter-to-observable mappings when solving large-scale inverse problems governed by partial differential equations (PDEs). The surrogate model may be a…

Optimization and Control · Mathematics 2025-12-08 Ruanui Nicholson , Radoslav Vuchkov , Umberto Villa , Noemi Petra

In this study, we propose a novel multi-objective Bayesian optimization (MOBO) method to efficiently identify the Pareto front (PF) defined by risk measures for black-box functions under the presence of input uncertainty (IU). Existing BO…

Machine Learning · Statistics 2023-11-27 Yu Inatsu , Shion Takeno , Hiroyuki Hanada , Kazuki Iwata , Ichiro Takeuchi

Preferential Bayesian Optimization (PBO) aims to find a decision-maker's most preferred solution in as few pairwise comparisons as possible. Existing approaches rely on Gaussian Process (GP) surrogates, which provide strong performance but…

Machine Learning · Computer Science 2026-05-11 Nick Leenders , Thomas Quadt , Boris Cule , Roy Lindelauf , Herman Monsuur , Joost van Oijen , Mark Voskuijl

An important challenge in multi-objective reinforcement learning is obtaining a Pareto front of policies to attain optimal performance under different preferences. We introduce Iterated Pareto Referent Optimisation (IPRO), which decomposes…

Machine Learning · Computer Science 2025-02-07 Willem Röpke , Mathieu Reymond , Patrick Mannion , Diederik M. Roijers , Ann Nowé , Roxana Rădulescu

Finding specific preference-guided Pareto solutions that represent different trade-offs among multiple objectives is critical yet challenging in multi-objective problems. Existing methods are restrictive in preference definitions and/or…

Machine Learning · Computer Science 2025-03-28 Lisha Chen , AFM Saif , Yanning Shen , Tianyi Chen

Problems defined on binary decision spaces have been intensively studied in the theory of multi-objective evolutionary algorithms (MOEAs). In contrast, no mathematical runtime analyses exist so far for MOEAs dealing with decision variables…

Neural and Evolutionary Computing · Computer Science 2026-05-15 Mingfeng Li , Zheng Cheng , Weijie Zheng , Benjamin Doerr

We consider the multi-objective mean-variance-skewness-kurtosis (MVSK) problem in portfolio selection, with and without shorting and leverage. Additionally, we define a sparse variant of MVSK where feasible portfolios have supports…

Portfolio Management · Quantitative Finance 2023-02-22 Andries Steenkamp

Bayesian optimization (BO) is an effective method of finding the global optima of black-box functions. Recently BO has been applied to neural architecture search and shows better performance than pure evolutionary strategies. All these…

Machine Learning · Computer Science 2019-05-16 Lizheng Ma , Jiaxu Cui , Bo Yang

Parameter identification for marine ecosystem models is important for the assessment and validation of marine ecosystem models against observational data. The surrogate-based optimization (SBO) is a computationally efficient method to…

Atmospheric and Oceanic Physics · Physics 2021-12-01 Markus Pfeil , Thomas Slawig

Bayesian optimization is widely used for hyperparameter optimization when model evaluations are expensive; however, noisy acquisition estimates can lead to unstable decisions. We identify acquisition estimation noise as a failure mode that…

Machine Learning · Computer Science 2026-05-08 Maresa Schröder , Pascal Janetzky , Michael Klar , Stefan Feuerriegel

The long runtime associated with simulating multidisciplinary systems challenges the use of Bayesian optimization for multidisciplinary design optimization (MDO). This is particularly the case if the coupled system is modeled in a…

Computational Engineering, Finance, and Science · Computer Science 2024-08-19 Susanna Baars , Jigar Parekh , Ihar Antonau , Philipp Bekemeyer , Ulrich Römer

Stochastic variational inference (SVI) plays a key role in Bayesian deep learning. Recently various divergences have been proposed to design the surrogate loss for variational inference. We present a simple upper bound of the evidence as…

Machine Learning · Computer Science 2019-12-03 Chunlin Ji , Haige Shen

Temporal credit assignment in reinforcement learning has long been a central challenge. Inspired by the multi-timescale encoding of the dopamine system in neurobiology, recent research has sought to introduce multiple discount factors into…

Machine Learning · Computer Science 2026-05-25 Jing Sun

Molecular property optimization (MPO) problems are inherently challenging since they are formulated over discrete, unstructured spaces and the labeling process involves expensive simulations or experiments, which fundamentally limits the…

Biomolecules · Quantitative Biology 2024-01-04 Farshud Sorourifar , Thomas Banker , Joel A. Paulson

Modern synchrotron light source storage rings, such as the Swiss Light Source upgrade (SLS 2.0), use multi-bend achromats in their arc segments to achieve unprecedented brilliance. This performance comes at the cost of increased focusing…

Accelerator Physics · Physics 2021-01-27 Marija Kranjcevic , Bernard Riemann , Andreas Adelmann , Andreas Streun

The ever-increasing demands of computationally expensive and high-dimensional problems require novel optimization methods to find near-optimal solutions in a reasonable amount of time. Bayesian Optimization (BO) stands as one of the best…

Neural and Evolutionary Computing · Computer Science 2023-05-19 Shay Snyder , Sumedh R. Risbud , Maryam Parsa

Radio frequency (RF) cavities are commonly used to accelerate charged particle beams. The shape of the RF cavity determines the resonant electromagnetic fields and frequencies, which need to satisfy a variety of requirements for a stable…

Accelerator Physics · Physics 2019-03-18 Marija Kranjcevic , Andreas Adelmann , Peter Arbenz , Alessandro Citterio , Lukas Stingelin
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