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Pre-trained diffusion models have emerged as powerful generative priors for both unconditional and conditional sample generation, yet their outputs often deviate from the characteristics of user-specific target data. Such mismatches are…

Machine Learning · Computer Science 2026-01-14 Matina Mahdizadeh Sani , Nima Jamali , Mohammad Jalali , Farzan Farnia

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Recently, diffusion models have been used to solve various inverse problems in an unsupervised manner with appropriate modifications to the sampling process. However, the current solvers, which recursively apply a reverse diffusion step…

Machine Learning · Computer Science 2024-05-21 Hyungjin Chung , Byeongsu Sim , Dohoon Ryu , Jong Chul Ye

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

Machine Learning · Computer Science 2020-10-26 Amina Mollaysa , Brooks Paige , Alexandros Kalousis

Diffusion models have made remarkable progress in solving various inverse problems, attributing to the generative modeling capability of the data manifold. Posterior sampling from the conditional score function enable the precious data…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Jinghao Zhang , Zizheng Yang , Qi Zhu , Feng Zhao

Channel knowledge map (CKM) is a promising technology to enable environment-aware wireless communications and sensing with greatly enhanced performance, by offering location-specific channel prior information for future wireless networks.…

Signal Processing · Electrical Eng. & Systems 2025-04-25 Shen Fu , Yong Zeng , Zijian Wu , Di Wu , Shi Jin , Cheng-Xiang Wang , Xiqi Gao

Generative diffusions are a powerful class of Monte Carlo samplers that leverage bridging Markov processes to approximate complex, high-dimensional distributions, such as those found in image processing and language models. Despite their…

Machine Learning · Statistics 2025-02-20 Zheng Zhao , Ziwei Luo , Jens Sjölund , Thomas B. Schön

Diffusion models are powerful tools for sampling from high-dimensional distributions by progressively transforming pure noise into structured data through a denoising process. When equipped with a guidance mechanism, these models can also…

Machine Learning · Computer Science 2026-05-04 Saeed Mohseni-Sehdeh , Walid Saad , Kei Sakaguchi , Tao Yu

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

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

The goal of this paper is to provide a new perspective on speech modeling by incorporating perceptual invariances such as amplitude scaling and temporal shifts. Conventional generative formulations often treat each dataset sample as a fixed…

Audio and Speech Processing · Electrical Eng. & Systems 2025-12-24 Doyeop Kwak , Youngjoon Jang , Joon Son Chung

Diffusion Language Models (DLMs) have recently achieved strong results in text generation. However, their multi-step sampling leads to slow inference, limiting practical use. To address this, we extend Inverse Distillation, a technique…

Machine Learning · Computer Science 2026-02-24 David Li , Nikita Gushchin , Dmitry Abulkhanov , Eric Moulines , Ivan Oseledets , Maxim Panov , Alexander Korotin

Diffusion probabilistic models (DPMs) have become a popular approach to conditional generation, due to their promising results and support for cross-modal synthesis. A key desideratum in conditional synthesis is to achieve high…

Computer Vision and Pattern Recognition · Computer Science 2023-02-17 Ye Zhu , Yu Wu , Kyle Olszewski , Jian Ren , Sergey Tulyakov , Yan Yan

Discrete diffusion models (DDMs) are a powerful class of generative models for categorical data, but they typically require many function evaluations for a single sample, making inference expensive. Existing acceleration methods either rely…

Machine Learning · Computer Science 2025-12-16 Yansong Gao , Yu Sun

How can we generate samples from a conditional distribution that we never fully observe? This question arises across a broad range of applications in both modern machine learning and classical statistics, including image post-processing in…

Machine Learning · Statistics 2026-05-26 Anirban Chatterjee , Sayantan Choudhury , Rohan Hore

Typical engineering design tasks require the effort to modify designs iteratively until they meet certain constraints, i.e., performance or attribute requirements. Past work has proposed ways to solve the inverse design problem, where…

Machine Learning · Computer Science 2021-03-11 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

Geophysical inverse problems are often ill-posed and admit multiple solutions. Conventional discriminative methods typically yield a single deterministic solution, which fails to model the posterior distribution, cannot generate diverse…

Discrete diffusion models have emerged as powerful frameworks for generating structured categorical data. However, efficiently sampling from reward-tilted distributions remains a fundamental challenge. While Twisted Sequential Monte Carlo…

Machine Learning · Computer Science 2026-05-25 Jaihoon Kim , Taehoon Yoon , Prin Phunyaphibarn , Seungjun Kim , Morteza Mardani , Minhyuk Sung

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Tao Liu , Hao Yan , Mengting Chen , Taihang Hu , Zhengrong Yue , Zihao Pan , Jinsong Lan , Xiaoyong Zhu , Ming-Ming Cheng , Bo Zheng , Yaxing Wang

Inverse design is a common yet challenging engineering problem, particularly for nonlinear functional responses such as mechanical behavior or spectral analysis. Deep generative models are motivated by intractability, non-existence or…

Computational Engineering, Finance, and Science · Computer Science 2025-10-09 Haoxuan Dylan Mu , Mingjian Tang , Wei Gao , Wei "Wayne" Chen