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Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled training data. We propose Design-GenNO, a physics-informed…

Mathematical Physics · Physics 2025-09-11 Yaohua Zang , Phaedon-Stelios Koutsourelakis

Black-box optimization (BBO) algorithms are concerned with finding the best solutions for problems with missing analytical details. Most classical methods for such problems are based on strong and fixed a priori assumptions, such as…

Machine Learning · Computer Science 2023-02-01 Minfang Lu , Shuai Ning , Shuangrong Liu , Fengyang Sun , Bo Zhang , Bo Yang , Lin Wang

Optimizing high-dimensional black-box functions under black-box constraints is a pervasive task in a wide range of scientific and engineering problems. These problems are typically harder than unconstrained problems due to hard-to-find…

Machine Learning · Computer Science 2026-05-08 Kiyoung Om , Kyuil Sim , Taeyoung Yun , Hyeongyu Kang , Jinkyoo Park

Surrogate-Assisted Evolutionary Algorithms (SAEAs) are widely used for expensive Black-Box Optimization. However, their reliance on rigid, manually designed components such as infill criteria and evolutionary strategies during the search…

Neural and Evolutionary Computing · Computer Science 2025-11-20 Yukun Du , Haiyue Yu , Xiaotong Xie , Yan Zheng , Lixin Zhan , Yudong Du , Chongshuang Hu , Boxuan Wang , Jiang Jiang

Few-Shot Learning (FSL) is a challenging task, \emph{i.e.}, how to recognize novel classes with few examples? Pre-training based methods effectively tackle the problem by pre-training a feature extractor and then predicting novel classes…

Computer Vision and Pattern Recognition · Computer Science 2021-12-07 Baoquan Zhang , Xutao Li , Shanshan Feng , Yunming Ye , Rui Ye

We consider the challenge of black-box optimization within hybrid discrete-continuous and variable-length spaces, a problem that arises in various applications, such as decision tree learning and symbolic regression. We propose DisCo-DSO…

Machine Learning · Computer Science 2024-12-17 Jacob F. Pettit , Chak Shing Lee , Jiachen Yang , Alex Ho , Daniel Faissol , Brenden Petersen , Mikel Landajuela

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock…

Machine Learning · Computer Science 2024-01-10 Louis Kirsch , James Harrison , Jascha Sohl-Dickstein , Luke Metz

We propose a novel approach for using unsupervised boosting to create an ensemble of generative models, where models are trained in sequence to correct earlier mistakes. Our meta-algorithmic framework can leverage any existing base learner…

Machine Learning · Computer Science 2017-12-25 Aditya Grover , Stefano Ermon

Benchmark Design in Black-Box Optimization (BBO) is a fundamental yet open-ended topic. Early BBO benchmarks are predominantly human-crafted, introducing expert bias and constraining diversity. Automating this design process can relieve the…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Chen Wang , Sijie Ma , Zeyuan Ma , Yue-Jiao Gong

Genetic algorithms constitute a family of black-box optimization algorithms, which take inspiration from the principles of biological evolution. While they provide a general-purpose tool for optimization, their particular instantiations can…

Neural and Evolutionary Computing · Computer Science 2023-04-11 Robert Tjarko Lange , Tom Schaul , Yutian Chen , Chris Lu , Tom Zahavy , Valentin Dalibard , Sebastian Flennerhag

While research in robust optimization has attracted considerable interest over the last decades, its algorithmic development has been hindered by several factors. One of them is a missing set of benchmark instances that make algorithm…

Optimization and Control · Mathematics 2019-02-11 Marc Goerigk , Stephen J. Maher

Black-box model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function, are ubiquitous in a wide range of domains, such as the design of proteins, DNA sequences, aircraft,…

Machine Learning · Computer Science 2022-02-18 Brandon Trabucco , Xinyang Geng , Aviral Kumar , Sergey Levine

Data-driven black-box model-based optimization (MBO) problems arise in a great number of practical application scenarios, where the goal is to find a design over the whole space maximizing a black-box target function based on a static…

Machine Learning · Computer Science 2023-10-20 Mingcheng Chen , Haoran Zhao , Yuxiang Zhao , Hulei Fan , Hongqiao Gao , Yong Yu , Zheng Tian

Metasurfaces are subwavelength-structured artificial media that can shape and localize electromagnetic waves in unique ways. The inverse design of these devices is a non-convex optimization problem in a high dimensional space, making global…

Computational Physics · Physics 2019-11-22 Jiaqi Jiang , Jonathan A. Fan

Recent advances in Generative Adversarial Networks (GANs) have led to their widespread adoption for the purposes of generating high quality synthetic imagery. While capable of generating photo-realistic images, these models often produce…

Computer Vision and Pattern Recognition · Computer Science 2020-10-26 Terrance DeVries , Michal Drozdzal , Graham W. Taylor

We introduce an order-invariant reinforcement learning framework for black-box combinatorial optimization. Classical estimation-of-distribution algorithms (EDAs) often rely on learning explicit variable dependency graphs, which can be…

Machine Learning · Computer Science 2026-01-30 Olivier Goudet , Quentin Suire , Adrien Goëffon , Frédéric Saubion , Sylvain Lamprier

Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

In this work we investigate meta-learning (or learning-to-learn) approaches in multi-task linear stochastic bandit problems that can originate from multiple environments. Inspired by the work of [1] on meta-learning in a sequence of linear…

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

The topic of learning to solve optimization problems has received interest from both the operations research and machine learning communities. In this work, we combine techniques from both fields to address the problem of learning to…

Machine Learning · Computer Science 2022-04-25 Aaron Babier , Timothy C. Y. Chan , Adam Diamant , Rafid Mahmood