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Diffusion models are powerful generative models that map noise to data using stochastic processes. However, for many applications such as image editing, the model input comes from a distribution that is not random noise. As such, diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Linqi Zhou , Aaron Lou , Samar Khanna , Stefano Ermon

Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong…

Machine Learning · Computer Science 2025-03-04 Xingzhuo Guo , Yu Zhang , Baixu Chen , Haoran Xu , Jianmin Wang , Mingsheng Long

Conventional meta-atom designs rely heavily on researchers' prior knowledge and trial-and-error searches using full-wave simulations, resulting in time-consuming and inefficient processes. Inverse design methods based on optimization…

Machine Learning · Computer Science 2023-12-11 Zezhou Zhang , Chuanchuan Yang , Yifeng Qin , Hao Feng , Jiqiang Feng , Hongbin Li

Adjoint-based design optimizations are usually computationally expensive and those costs scale with resolution. To address this, researchers have proposed machine learning approaches for inverse design that can predict higher-resolution…

Machine Learning · Computer Science 2024-08-19 Milad Habibi , Mark Fuge

Inverse design approach, which directly generates optimal aerodynamic shape with neural network models to meet designated performance targets, has drawn enormous attention. However, the current state-of-the-art inverse design approach for…

Machine Learning · Computer Science 2025-03-11 Shisong Deng , Qiang Zhang , Zhengyang Cai

Score-based diffusion models have significantly advanced generative deep learning for image processing. Measurement conditioned models have also been applied to inverse problems such as CT reconstruction. However, the conventional approach,…

Medical Physics · Physics 2025-02-24 Matthew Tivnan , Dufan Wu , Quanzheng Li

Guiding unconditional diffusion models typically requires either retraining with conditional inputs or per-step gradient computations (e.g., classifier-based guidance), both of which incur substantial computational overhead. We present a…

Machine Learning · Computer Science 2026-02-13 Qingsong Wang , Mikhail Belkin , Yusu Wang

Diffusion models promise to accelerate material design by directly generating novel structures with desired properties, but existing approaches typically require expensive and substantial labeled data ($>$10,000) and lack adaptability. Here…

Chemical Physics · Physics 2025-11-06 Junwu Chen , Jeff Guo , Edvin Fako , Philippe Schwaller

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Text-to-image diffusion models have demonstrated remarkable effectiveness in rapid and high-fidelity personalization, even when provided with only a few user images. However, the effectiveness of personalization techniques has lead to…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Naresh Kumar Devulapally , Shruti Agarwal , Tejas Gokhale , Vishnu Suresh Lokhande

Many interesting tasks in image restoration can be cast as linear inverse problems. A recent family of approaches for solving these problems uses stochastic algorithms that sample from the posterior distribution of natural images given the…

Image and Video Processing · Electrical Eng. & Systems 2022-10-14 Bahjat Kawar , Michael Elad , Stefano Ermon , Jiaming Song

Diffusion models have attained remarkable success in the domains of image generation and editing. It is widely recognized that employing larger inversion and denoising steps in diffusion model leads to improved image reconstruction quality.…

Computer Vision and Pattern Recognition · Computer Science 2024-01-05 Chen Hou , Guoqiang Wei , Zhibo Chen

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the…

Biomolecules · Quantitative Biology 2024-03-22 Xiangxin Zhou , Xiwei Cheng , Yuwei Yang , Yu Bao , Liang Wang , Quanquan Gu

Generating realistic motions for digital humans is a core but challenging part of computer animations and games, as human motions are both diverse in content and rich in styles. While the latest deep learning approaches have made…

Computer Vision and Pattern Recognition · Computer Science 2022-12-19 Ziyi Chang , Edmund J. C. Findlay , Haozheng Zhang , Hubert P. H. Shum

Training deep neural networks has become a common approach for addressing image restoration problems. An alternative for training a "task-specific" network for each observation model is to use pretrained deep denoisers for imposing only the…

Image and Video Processing · Electrical Eng. & Systems 2024-04-16 Tomer Garber , Tom Tirer

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

Materials-by-design has been historically challenging due to complex process-microstructure-property relations. Conventional analytical or simulation-based approaches suffer from low accuracy or long computational time and poor…

Materials Science · Physics 2023-10-24 Xiao Shang , Zhiying Liu , Jiahui Zhang , Tianyi Lyu , Yu Zou

The inverse approach is computationally efficient in aerodynamic design as the desired target performance distribution is prespecified. However, it has some significant limitations that prevent it from achieving full efficiency. First, the…

Machine Learning · Computer Science 2022-03-10 Sunwoong Yang , Sanga Lee , Kwanjung Yee

Finite element simulations are run by package design engineers to model design structures. The process is irreversible meaning every minute structural adjustment requires a fresh input parameter run. In this paper, the problem of modeling…

Computational Engineering, Finance, and Science · Computer Science 2026-02-26 Kart-Leong Lim , Rahul Dutta , Mihai Rotaru

While foundation models demonstrate impressive performance across various tasks, they remain vulnerable to adversarial inputs. Current research explores various approaches to enhance model robustness, with Diffusion Denoised Smoothing…

Machine Learning · Computer Science 2025-05-22 Yury Belousov , Brian Pulfer , Vitaliy Kinakh , Slava Voloshynovskiy