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This paper studies an entropy-based multi-objective Bayesian optimization (MBO). The entropy search is successful approach to Bayesian optimization. However, for MBO, existing entropy-based methods ignore trade-off among objectives or…

Machine Learning · Computer Science 2020-02-12 Shinya Suzuki , Shion Takeno , Tomoyuki Tamura , Kazuki Shitara , Masayuki Karasuyama

We study the combinatorial assignment domain, which includes combinatorial auctions and course allocation. The main challenge in this domain is that the bundle space grows exponentially in the number of items. To address this, several…

Machine Learning · Computer Science 2023-03-14 Jakob Weissteiner , Jakob Heiss , Julien Siems , Sven Seuken

Most approaches for designing self-assembled materials focus on the thermodynamic stability of a target structure or crystal polymorph. Yet in practice, the outcome of a self-assembly process is often controlled by kinetic pathways. Here we…

Soft Condensed Matter · Physics 2025-05-08 Sambarta Chatterjee , William M. Jacobs

Optimising the major next-generation cosmological surveys (such as {\em SNAP, KAOS etc...}) is a key problem given our ignorance of the physics underlying cosmic acceleration and the plethora of surveys planned. We propose a Bayesian design…

Astrophysics · Physics 2009-11-10 Bruce A. Bassett

In machine learning (ML), we often need to choose one among hundreds of trained ML models at hand, based on various objectives such as accuracy, robustness, fairness or scalability. However, it is often unclear how to compare, aggregate…

Machine Learning · Computer Science 2025-11-12 Adrián Javaloy , Antonio Vergari , Isabel Valera

For a wide range of applications the structure of systems like Neural Networks or complex simulations, is unknown and approximation is costly or even impossible. Black-box optimization seeks to find optimal (hyper-) parameters for these…

Machine Learning · Computer Science 2023-09-06 Janina Schreiber , Damar Wicaksono , Michael Hecht

Bayesian Optimization (BO) is an efficient tool for optimizing black-box functions, but its theoretical guarantees typically hold in the asymptotic regime. In many critical real-world applications such as drug discovery or materials design,…

Machine Learning · Computer Science 2025-11-04 Diantong Li , Kyunghyun Cho , Chong Liu

Design optimization of engineering systems with multiple competing objectives is a painstakingly tedious process especially when the objective functions are expensive-to-evaluate computer codes with parametric uncertainties. The…

Optimization and Control · Mathematics 2019-06-20 Piyush Pandita , Ilias Bilionis , Jitesh Panchal , B. P. Gautham , Amol Joshi , Pramod Zagade

Dynamic multi-objective optimization (DMOO) has recently attracted increasing interest from both academic researchers and engineering practitioners, as numerous real-world applications that evolve over time can be naturally formulated as…

Neural and Evolutionary Computing · Computer Science 2026-01-06 Chang Shao , Qi Zhao , Nana Pu , Shi Cheng , Jing Jiang , Yuhui Shi

In multiobjective optimization, most branch and bound algorithms provide the decision maker with the whole Pareto front, and then decision maker could select a single solution finally. However, if the number of objectives is large, the…

Optimization and Control · Mathematics 2024-02-29 Weitian Wu , Xinmin Yang

Purpose: Current inverse planning methods for IMRT are limited because they are not designed to explore the trade-offs between the competing objectives between the tumor and normal tissues. Our goal was to develop an efficient…

Medical Physics · Physics 2015-06-04 Clay Holdsworth , Minsun Kim , Jay Liao , Mark H Phillips

As the interest in multi- and many-objective optimization algorithms grows, the performance comparison of these algorithms becomes increasingly important. A large number of performance indicators for multi-objective optimization algorithms…

Artificial Intelligence · Computer Science 2024-11-28 Amin Ibrahim , Azam Asilian Bidgoli , Shahryar Rahnamayan , Kalyanmoy Deb

Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce labeled data remains a challenge for machine learning…

Biomolecules · Quantitative Biology 2022-12-20 Xin Xia , Yansen Su , Chunhou Zheng , Xiangxiang Zeng

Multi-task learning solves multiple correlated tasks. However, conflicts may exist between them. In such circumstances, a single solution can rarely optimize all the tasks, leading to performance trade-offs. To arrive at a set of optimized…

Artificial Intelligence · Computer Science 2024-03-26 Lu Bai , Abhishek Gupta , Yew-Soon Ong

Despite all the benefits of automated hyperparameter optimization (HPO), most modern HPO algorithms are black-boxes themselves. This makes it difficult to understand the decision process which leads to the selected configuration, reduces…

Machine Learning · Computer Science 2023-02-14 Julia Moosbauer , Giuseppe Casalicchio , Marius Lindauer , Bernd Bischl

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems…

Machine Learning · Computer Science 2024-06-07 Ke Xue , Rong-Xi Tan , Xiaobin Huang , Chao Qian

This paper presents an algorithm for multiobjective optimization that blends together a number of heuristics. A population of agents combines heuristics that aim at exploring the search space both globally and in a neighborhood of each…

Computational Engineering, Finance, and Science · Computer Science 2012-06-07 Massimiliano Vasile , Federico Zuiani

Recently, it has been shown that the enumeration of Minimal Correction Subsets (MCS) of Boolean formulas allows solving Multi-Objective Boolean Optimization (MOBO) formulations. However, a major drawback of this approach is that most MCSs…

Artificial Intelligence · Computer Science 2022-04-15 Andreia P. Guerreiro , João Cortes , Daniel Vanderpooten , Cristina Bazgan , Inês Lynce , Vasco Manquinho , José Rui Figueira

A multiple objective simulation optimization algorithm named Multiple Objective Probabilistic Branch and Bound with Single Observation (MOPBnB(so)) is presented for approximating the Pareto optimal set and the associated efficient frontier…

Optimization and Control · Mathematics 2025-06-06 Hao Huang , Zelda B. Zabinsky

When designing a motion planner for autonomous robots there are usually multiple objectives to be considered. However, a cost function that yields the desired trade-off between objectives is not easily obtainable. A common technique across…

Robotics · Computer Science 2023-12-13 Nils Wilde , Stephen L. Smith , Javier Alonso-Mora