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Inverse design aims to find design parameters $x$ achieving target performance $y^*$. Generative approaches learn bidirectional mappings between designs and labels, enabling diverse solution sampling. However, standard conditional flow…

Machine Learning · Computer Science 2026-03-18 Miguel de Campos , Werner Krebs , Hanno Gottschalk

We propose a novel approach based on Denoising Diffusion Probabilistic Models (DDPMs) to control nonlinear dynamical systems. DDPMs are the state-of-art of generative models that have achieved success in a wide variety of sampling tasks. In…

Optimization and Control · Mathematics 2024-02-06 Karthik Elamvazhuthi , Darshan Gadginmath , Fabio Pasqualetti

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications.…

Time-varying nanostructures allow us to control the spatial and temporal properties of light. The temporal modulation of the nanostructures constitutes an additional degree of freedom to control their scattering properties on demand and in…

We introduce a new class of generative diffusion models that, unlike conventional denoising diffusion models, achieve a time-homogeneous structure for both the noising and denoising processes, allowing the number of steps to adaptively…

Machine Learning · Statistics 2026-01-23 Sören Christensen , Jan Kallsen , Claudia Strauch , Lukas Trottner

Diffusion-based methods represented as stochastic differential equations on a continuous-time domain have recently proven successful as a non-adversarial generative model. Training such models relies on denoising score matching, which can…

Machine Learning · Computer Science 2024-11-05 Sarthak Mittal , Korbinian Abstreiter , Stefan Bauer , Bernhard Schölkopf , Arash Mehrjou

Dataset bias is a significant challenge in machine learning, where specific attributes, such as texture or color of the images are unintentionally learned resulting in detrimental performance. To address this, previous efforts have focused…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Donggeun Ko , Sangwoo Jo , Dongjun Lee , Namjun Park , Jaekwang Kim

Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

Diffusion models have become increasingly popular for generative modeling due to their ability to generate high-quality samples. This has unlocked exciting new possibilities for solving inverse problems, especially in image restoration and…

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Generative machine learning models have revolutionized material discovery by capturing complex structure-property relationships, yet extending these approaches to the inverse design of three-dimensional metamaterials remains limited by…

Computational Engineering, Finance, and Science · Computer Science 2026-04-27 Li Zheng , Siddhant Kumar , Dennis M. Kochmann

The design of aerodynamic shapes, such as airfoils, has traditionally required significant computational resources and relied on predefined design parameters, which limit the potential for novel shape synthesis. In this work, we introduce a…

Machine Learning · Computer Science 2024-12-19 Reid Graves , Amir Barati Farimani

Modern successes of diffusion models in learning complex, high-dimensional data distributions are attributed, in part, to their capability to construct diffusion processes with analytic transition kernels and score functions. The…

Machine Learning · Statistics 2024-03-01 Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou , Molei Tao

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each…

Machine Learning · Computer Science 2023-10-03 Morteza Mardani , Jiaming Song , Jan Kautz , Arash Vahdat

Integrated computational materials engineering (ICME) has significantly enhanced the systemic analysis of the relationship between microstructure and material properties, paving the way for the development of high-performance materials.…

Materials Science · Physics 2023-12-14 Kang-Hyun Lee , Gun Jin Yun

Discrete diffusion models have emerged as a promising direction for vision-language tasks, offering bidirectional context modeling and theoretical parallelization. However, their practical application is severely hindered by a…

Computation and Language · Computer Science 2025-10-24 Yatai Ji , Teng Wang , Yuying Ge , Zhiheng Liu , Sidi Yang , Ying Shan , Ping Luo

Conditional diffusion models have achieved remarkable success in various generative tasks recently, but their training typically relies on large-scale datasets that inevitably contain imprecise information in conditional inputs. Such…

Machine Learning · Computer Science 2025-10-13 Dong-Dong Wu , Jiacheng Cui , Wei Wang , Zhiqiang Shen , Masashi Sugiyama

Designing free-form photonic devices is fundamentally challenging due to the vast number of possible geometries and the complex requirements of fabrication constraints. Traditional inverse-design approaches--whether driven by human…

Optics · Physics 2025-04-25 Dongjin Seo , Soobin Um , Sangbin Lee , Jong Chul Ye , Haejun Chung

We present DiffusionBERT, a new generative masked language model based on discrete diffusion models. Diffusion models and many pre-trained language models have a shared training objective, i.e., denoising, making it possible to combine the…

Computation and Language · Computer Science 2022-12-02 Zhengfu He , Tianxiang Sun , Kuanning Wang , Xuanjing Huang , Xipeng Qiu

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled…

Machine Learning · Computer Science 2024-07-23 Heli Ben-Hamu , Omri Puny , Itai Gat , Brian Karrer , Uriel Singer , Yaron Lipman
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