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In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Machine Learning · Computer Science 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

Despite their outstanding performance in a broad spectrum of real-world tasks, deep artificial neural networks are sensitive to input noises, particularly adversarial perturbations. On the contrary, human and animal brains are much less…

Neural and Evolutionary Computing · Computer Science 2022-05-23 Xiyuan Chen , Xingyu Li , Yi Zhou , Tianming Yang

Denoising models such as Diffusion or Flow Matching have recently advanced generative modeling for discrete structures, yet most approaches either operate directly in the discrete state space, causing abrupt state changes. We introduce…

Machine Learning · Computer Science 2026-03-31 Yoann Boget , Alexandros Kalousis

Probabilistic generative models based on measure transport, such as diffusion and flow-based models, are often formulated in the language of Markovian stochastic dynamics, where the choice of the underlying process impacts both algorithmic…

Machine Learning · Computer Science 2026-04-06 Yinuo Ren , Grant M. Rotskoff , Lexing Ying

Discrete diffusion models have recently emerged as a powerful class of generative models for chemistry and biology data. In these fields, the goal is to generate various samples with high rewards (e.g., drug-likeness in molecules), making…

Machine Learning · Computer Science 2026-02-11 Prin Phunyaphibarn , Minhyuk Sung

Generative modeling of discrete data underlies important applications spanning text-based agents like ChatGPT to the design of the very building blocks of life in protein sequences. However, application domains need to exert control over…

Out-of-distribution detection is crucial to the safe deployment of machine learning systems. Currently, unsupervised out-of-distribution detection is dominated by generative-based approaches that make use of estimates of the likelihood or…

The denoising diffusion probabilistic model (DDPM) has emerged as a mainstream generative model in generative AI. While sharp convergence guarantees have been established for the DDPM, the iteration complexity is, in general, proportional…

Machine Learning · Computer Science 2026-02-17 Zhihan Huang , Yuting Wei , Yuxin Chen

We introduce the Glauber Generative Model (GGM), a new class of discrete diffusion models, to obtain new samples from a distribution given samples from a discrete space. GGM deploys a discrete Markov chain called the heat bath dynamics (or…

Machine Learning · Computer Science 2025-03-18 Harshit Varma , Dheeraj Nagaraj , Karthikeyan Shanmugam

Diffusion models have recently exhibited remarkable abilities to synthesize striking image samples since the introduction of denoising diffusion probabilistic models (DDPMs). Their key idea is to disrupt images into noise through a fixed…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Zijian Zhang , Zhou Zhao , Jun Yu , Qi Tian

In various practical situations, we encounter data from stochastic processes which can be efficiently modelled by an appropriate parametric model for subsequent statistical analyses. Unfortunately, the most common estimation and inference…

Methodology · Statistics 2022-04-12 Rohan Hore , Abhik Ghosh

Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments.…

Machine Learning · Computer Science 2025-11-03 Matteo Ninniri , Marco Podda , Davide Bacciu

Discrete diffusion models based on continuous-time Markov chains (CTMCs) have shown strong performance on language and discrete data generation, yet existing approaches typically parameterize the reverse rate matrix monolithically --…

Machine Learning · Computer Science 2026-05-11 Jingyuan Li , Xiaoyi Jiang , Fukang Wen , Wei Liu , Renqian Luo , Yi Zhu , Zuoqiang Shi , Pipi Hu

Diffusion-based generative models (DGMs) have recently attracted attention in speech enhancement research (SE) as previous works showed a remarkable generalization capability. However, DGMs are also computationally intensive, as they…

Audio and Speech Processing · Electrical Eng. & Systems 2024-06-21 Chenda Li , Samuele Cornell , Shinji Watanabe , Yanmin Qian

Generative AI has received significant attention among a spectrum of diverse industrial and academic domains, thanks to the magnificent results achieved from deep generative models such as generative pre-trained transformers (GPT) and…

Information Theory · Computer Science 2023-10-06 Mehdi Letafati , Samad Ali , Matti Latva-aho

This report presents the comprehensive implementation, evaluation, and optimization of Denoising Diffusion Probabilistic Models (DDPMs) and Denoising Diffusion Implicit Models (DDIMs), which are state-of-the-art generative models. During…

Computer Vision and Pattern Recognition · Computer Science 2024-12-20 Jaineet Shah , Michael Gromis , Rickston Pinto

Many real-world decision-making problems face the off-dynamics challenge: the agent learns a policy in a source domain and deploys it in a target domain with different state transitions. The distributionally robust Markov decision process…

Machine Learning · Computer Science 2025-05-26 Zhishuai Liu , Pan Xu

A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to $\textit{classify}$ between data samples and samples from some reference distribution. DRE-based models can…

Machine Learning · Computer Science 2024-11-01 Shahar Yadin , Noam Elata , Tomer Michaeli

Part of the success of diffusion models stems from their ability to perform iterative refinement, i.e., repeatedly correcting outputs during generation. However, modern masked discrete diffusion lacks this capability: when a token is…

Machine Learning · Computer Science 2026-02-10 Guanghan Wang , Yair Schiff , Subham Sekhar Sahoo , Volodymyr Kuleshov

This paper provides an elementary, self-contained analysis of diffusion-based sampling methods for generative modeling. In contrast to existing approaches that rely on continuous-time processes and then discretize, our treatment works…

Machine Learning · Statistics 2025-06-25 Galen Reeves , Henry D. Pfister