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We introduce active generation of Pareto sets (A-GPS), a new framework for online discrete black-box multi-objective optimization (MOO). A-GPS learns a generative model of the Pareto set that supports a-posteriori conditioning on user…

Machine Learning · Computer Science 2025-12-18 Daniel M. Steinberg , Asiri Wijesinghe , Rafael Oliveira , Piotr Koniusz , Cheng Soon Ong , Edwin V. Bonilla

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

Optimization of materials performance for specific applications often requires balancing multiple aspects of materials functionality. Even for the cases where generative physical model of material behavior is known and reliable, this often…

Materials Science · Physics 2021-12-15 Arpan Biswas , Anna N. Morozovska , Maxim Ziatdinov , Eugene A. Eliseev , Sergei V. Kalinin

Commercial recommender systems face the challenge that task requirements from platforms or users often change dynamically (e.g., varying preferences for accuracy or diversity). Ideally, the model should be re-trained after resetting a new…

Information Retrieval · Computer Science 2025-08-07 Chenglei Shen , Jiahao Zhao , Xiao Zhang , Weijie Yu , Ming He , Jianping Fan

Methodologies for reducing the design-space dimensionality in shape optimization have been recently developed based on unsupervised machine learning methods. These methods provide reduced dimensionality representations of the design space,…

Optimization and Control · Mathematics 2022-12-21 Andrea Serani , Matteo Diez

Deep generative models have emerged as a popular machine learning-based approach for inverse design problems in the life sciences. However, these problems often require sampling new designs that satisfy multiple properties of interest in…

In multi-objective optimization, a single decision vector must balance the trade-offs between many objectives. Solutions achieving an optimal trade-off are said to be Pareto optimal: these are decision vectors for which improving any one…

Optimization and Control · Mathematics 2023-08-07 Abhishek Roy , Geelon So , Yi-An Ma

Current performance-driven building design methods are not widely adopted outside the research field for several reasons that make them difficult to integrate into a typical design process. In the early design phase, in particular, the…

Machine Learning · Computer Science 2022-04-19 Spyridon Ampanavos , Ali Malkawi

Many modern machine learning applications, such as multi-task learning, require finding optimal model parameters to trade-off multiple objective functions that may conflict with each other. The notion of the Pareto set allows us to focus on…

Optimization and Control · Mathematics 2022-09-05 Mao Ye , Qiang Liu

The choice of parameters, and the design of the network architecture are important factors affecting the performance of deep neural networks. However, there has not been much work on developing an established and systematic way of building…

Neural and Evolutionary Computing · Computer Science 2018-05-25 Burak Kakillioglu , Yantao Lu , Senem Velipasalar

In the domain of multi-objective optimization, evolutionary algorithms are distinguished by their capability to generate a diverse population of solutions that navigate the trade-offs inherent among competing objectives. This has catalyzed…

Neural and Evolutionary Computing · Computer Science 2025-01-07 Yuxin Ma , Zherui Zhang , Ran Cheng , Yaochu Jin , Kay Chen Tan

Offline optimization is a fundamental challenge in science and engineering, where the goal is to optimize black-box functions using only offline datasets. This setting is particularly relevant when querying the objective function is…

Machine Learning · Computer Science 2026-01-07 Minsu Kim , Jiayao Gu , Ye Yuan , Taeyoung Yun , Zixuan Liu , Yoshua Bengio , Can Chen

Bayesian Optimization (BO) is a powerful tool for optimizing expensive black-box objective functions. While extensive research has been conducted on the single-objective optimization problem, the multi-objective optimization problem remains…

Machine Learning · Computer Science 2025-10-27 Lam Ngo , Huong Ha , Jeffrey Chan , Hongyu Zhang

This research delves into optimizing mechanism design, with an emphasis on the energy efficiency and the expansive design possibilities of reciprocating mechanisms. It investigates how to efficiently integrate Computer-Aided Design (CAD)…

Systems and Control · Electrical Eng. & Systems 2024-03-14 Abdelmajid Ben Yahya , Santiago Ramos Garces , Nick Van Oosterwyck , Annie Cuyt , Stijn Derammelaere

Regressions created from experimental or simulated data enable the construction of metamodels, widely used in a variety of engineering applications. Many engineering problems involve multi-parametric physics whose corresponding…

Computational Engineering, Finance, and Science · Computer Science 2021-03-10 Abel Sancarlos , Victor Champaney , Jean-Louis Duval , Elias Cueto , Francisco Chinesta

Generative adversarial networks (GANs) have proven effective in modeling distributions of high-dimensional data. However, their training instability is a well-known hindrance to convergence, which results in practical challenges in their…

Machine Learning · Computer Science 2022-09-28 Alessandro Ferrero , Shireen Elhabian , Ross Whitaker

Ensuring high accuracy and efficiency of predictive models is paramount in the aerospace industry, particularly in the context of multidisciplinary design and optimization processes. These processes often require numerous evaluations of…

Machine Learning · Computer Science 2025-03-26 James M. Shihua , Paul Saves , Rhea P. Liem , Joseph Morlier

The ongoing advancements in network architecture design have led to remarkable achievements in deep learning across various challenging computer vision tasks. Meanwhile, the development of neural architecture search (NAS) has provided…

Neural and Evolutionary Computing · Computer Science 2023-04-19 Zhichao Lu , Ran Cheng , Yaochu Jin , Kay Chen Tan , Kalyanmoy Deb

Recently, generative adversarial networks (GANs) have shown promising performance in generating realistic images. However, they often struggle in learning complex underlying modalities in a given dataset, resulting in poor-quality generated…

Computer Vision and Pattern Recognition · Computer Science 2018-05-09 David Keetae Park , Seungjoo Yoo , Hyojin Bahng , Jaegul Choo , Noseong Park

In multi-objective optimization, designing good benchmark problems is an important issue for improving solvers. Controlling the global location of Pareto optima in existing benchmark problems has been problematic, and it is even more…

Optimization and Control · Mathematics 2024-02-13 Ryosuke Ota , Reiya Hagiwara , Naoki Hamada , Likun Liu , Takahiro Yamamoto , Daisuke Sakurai