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Inverse design problems are common in engineering and materials science. The forward direction, i.e., computing output quantities from design parameters, typically requires running a numerical simulation, such as a FEM, as an intermediate…

Machine Learning · Computer Science 2026-02-18 Jens U. Kreber , Christian Weißenfels , Joerg Stueckler

Diffusion models have demonstrated great potential in generating high-quality content for images, natural language, protein domains, etc. However, how to perform user-preferred targeted generation via diffusion models with only black-box…

Machine Learning · Statistics 2024-06-11 Yueming Lyu , Kim Yong Tan , Yew Soon Ong , Ivor W. Tsang

We study offline black-box optimization (BBO), aiming to discover improved designs from an offline dataset of designs and labels, a problem common in robotics, DNA, and materials science with limited labeled samples. While recent work…

Computational Engineering, Finance, and Science · Computer Science 2026-05-26 Zipeng Sun , Can Chen , Ye Yuan , Haolun Wu , Jiayao Gu , Christopher Pal , Xue Liu

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear…

Machine Learning · Statistics 2025-10-06 Hyungjin Chung , Jeongsol Kim , Michael T. Mccann , Marc L. Klasky , Jong Chul Ye

Bayesian optimization (BO ) is an effective method for optimizing expensive-to-evaluate black-box functions. While high-dimensional problems can be particularly challenging, due to the multitude of parameter choices and the potentially high…

Machine Learning · Computer Science 2025-04-09 Erik Hellsten , Carl Hvarfner , Leonard Papenmeier , Luigi Nardi

Gasoline blending scheduling uses resource allocation and operation sequencing to meet a refinery's production requirements. The presence of nonlinearity, integer constraints, and a large number of decision variables adds complexity to this…

Artificial Intelligence · Computer Science 2024-02-23 Wenxuan Fang , Wei Du , Renchu He , Yang Tang , Yaochu Jin , Gary G. Yen

Bayesian optimization (BO) is a widely used algorithm for solving expensive black-box optimization problems. However, its performance decreases significantly on high-dimensional problems due to the inherent high-dimensionality of the…

Machine Learning · Computer Science 2025-04-16 Jundi Huang , Dawei Zhan

Bayesian Optimisation (BO) refers to a suite of techniques for global optimisation of expensive black box functions, which use introspective Bayesian models of the function to efficiently search for the optimum. While BO has been applied…

Recent advances in diffusion models have demonstrated their strong capabilities in generating high-fidelity samples from complex distributions through an iterative refinement process. Despite the empirical success of diffusion models in…

Robotics · Computer Science 2024-07-03 Chaoyi Pan , Zeji Yi , Guanya Shi , Guannan Qu

Diffusion models have demonstrated remarkable capabilities in generating high-quality samples and enhancing performance across diverse domains through Classifier-Free Guidance (CFG). However, the quality of generated samples is highly…

Computer Vision and Pattern Recognition · Computer Science 2025-08-21 Ao Chen , Lihe Ding , Tianfan Xue

Diffusion models, a family of generative models based on deep learning, have become increasingly prominent in cutting-edge machine learning research. With a distinguished performance in generating samples that resemble the observed data,…

Machine Learning · Computer Science 2023-05-02 Lequan Lin , Zhengkun Li , Ruikun Li , Xuliang Li , Junbin Gao

When gradient-based methods are impractical, black-box optimization (BBO) provides a valuable alternative. However, BBO often struggles with high-dimensional problems and limited trial budgets. In this work, we propose a novel approach…

Systems and Control · Electrical Eng. & Systems 2025-10-03 Riccardo Busetto , Manas Mejari , Marco Forgione , Alberto Bemporad , Dario Piga

Optimization constrained by high-fidelity computational models has potential for transformative impact. However, such optimization is frequently unattainable in practice due to the complexity and computational intensity of the model. An…

Numerical Analysis · Mathematics 2024-06-04 Joseph Hart , Bart van Bloemen Waanders

Diffusion models demonstrate remarkable capabilities in capturing complex data distributions and have achieved compelling results in many generative tasks. While they have recently been extended to dense prediction tasks such as depth…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Haorui Ji , Taojun Lin , Hongdong Li

Recently it has been shown that using diffusion models for inverse problems can lead to remarkable results. However, these approaches require a closed-form expression of the degradation model and can not support complex degradations. To…

Computer Vision and Pattern Recognition · Computer Science 2023-06-06 Di You , Andreas Floros , Pier Luigi Dragotti

Complex degradations like noise, blur, and low resolution are typical challenges in real world image fusion tasks, limiting the performance and practicality of existing methods. End to end neural network based approaches are generally…

Computer Vision and Pattern Recognition · Computer Science 2026-04-13 Yu Shi , Yu Liu , Zhong-Cheng Wu , Juan Cheng , Huafeng Li , Xun Chen

Recent advancements in diffusion models (DMs) have been propelled by alignment methods that post-train models to better conform to human preferences. However, these approaches typically require computation-intensive training of a base model…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Zejian Li , Yize Li , Chenye Meng , Zhongni Liu , Yang Ling , Shengyuan Zhang , Guang Yang , Changyuan Yang , Zhiyuan Yang , Lingyun Sun

Recent research has shown that text-to-image diffusion models are capable of generating high-quality images guided by text prompts. But can they be used to generate or approximate real-world images from the seed noise? This is known as the…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Weiming Chen , Qifan Liu , Siyi Liu , Yushun Tang , Yijia Wang , Zhihan Zhu , Zhihai He

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

Machine Learning · Computer Science 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Recent diffusion models provide a promising zero-shot solution to noisy linear inverse problems without retraining for specific inverse problems. In this paper, we reveal that recent methods can be uniformly interpreted as employing a…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Xinyu Peng , Ziyang Zheng , Wenrui Dai , Nuoqian Xiao , Chenglin Li , Junni Zou , Hongkai Xiong
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