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Generative AI models have recently achieved astonishing results in quality and are consequently employed in a fast-growing number of applications. However, since they are highly data-driven, relying on billion-sized datasets randomly…

Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

Inspired by recent findings that generative diffusion models learn semantically meaningful representations, we use them to discover the intrinsic hierarchical structure in biomedical 3D images using unsupervised segmentation. We show that…

Computer Vision and Pattern Recognition · Computer Science 2023-10-11 Nurislam Tursynbek , Marc Niethammer

Recent 3D molecular generation methods primarily use asynchronous auto-regressive or synchronous diffusion models. While auto-regressive models build molecules sequentially, they're limited by a short horizon and a discrepancy between…

Machine Learning · Computer Science 2026-04-27 Junyi An , Chao Qu , Yun-Fei Shi , Zhijian Zhou , Fenglei Cao , Yuan Qi

Deep generative models are universal tools for learning data distributions on high dimensional data spaces via a mapping to lower dimensional latent spaces. We provide a study of latent space geometries and extend and build upon previous…

Machine Learning · Computer Science 2019-02-07 Max F. Frenzel , Bogdan Teleaga , Asahi Ushio

Deep generative models learn the data distribution, which is concentrated on a low-dimensional manifold. The geometric analysis of distribution transformation provides a better understanding of data structure and enables a variety of…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Junhao Chen , Manyi Li , Zherong Pan , Xifeng Gao , Changhe Tu

We present a novel method for exemplar-based image translation, called matching interleaved diffusion models (MIDMs). Most existing methods for this task were formulated as GAN-based matching-then-generation framework. However, in this…

Computer Vision and Pattern Recognition · Computer Science 2023-03-30 Junyoung Seo , Gyuseong Lee , Seokju Cho , Jiyoung Lee , Seungryong Kim

This study investigates human-computer interface generation based on diffusion models to overcome the limitations of traditional template-based design and fixed rule-driven methods. It first analyzes the key challenges of interface…

Human-Computer Interaction · Computer Science 2026-01-13 Rui Liu , Liuqingqing Yang , Runsheng Zhang , Shixiao Wang

Generative diffusion models, famous for their performance in image generation, are popular in various cross-domain applications. However, their use in the communication community has been mostly limited to auxiliary tasks like data modeling…

Networking and Internet Architecture · Computer Science 2025-03-11 Ruihuai Liang , Bo Yang , Zhiwen Yu , Bin Guo , Xuelin Cao , Mérouane Debbah , H. Vincent Poor , Chau Yuen

Generative modeling using samples drawn from the probability distribution constitutes a powerful approach for unsupervised machine learning. Quantum mechanical systems can produce probability distributions that exhibit quantum correlations…

Quantum Physics · Physics 2022-10-07 Xun Gao , Eric R. Anschuetz , Sheng-Tao Wang , J. Ignacio Cirac , Mikhail D. Lukin

Diffusion models and flow matching have demonstrated remarkable success in text-to-image generation. While many existing alignment methods primarily focus on fine-tuning pre-trained generative models to maximize a given reward function,…

Machine Learning · Statistics 2026-02-03 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

In this paper we describe a novel framework for diffusion-based generative modeling on constrained spaces. In particular, we introduce manual bridges, a framework that expands the kinds of constraints that can be practically used to form…

Machine Learning · Computer Science 2025-02-28 Saeid Naderiparizi , Xiaoxuan Liang , Berend Zwartsenberg , Frank Wood

Despite their generative power, diffusion models struggle to maintain style consistency across images conditioned on the same style prompt, hindering their practical deployment in creative workflows. While several training-free methods…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Jiexuan Zhang , Yiheng Du , Qian Wang , Weiqi Li , Yu Gu , Jian Zhang

Protein design with desirable properties has been a significant challenge for many decades. Generative artificial intelligence is a promising approach and has achieved great success in various protein generation tasks. Notably, diffusion…

Can we train a 3D molecule generator using data from dense regions to generate samples in sparse regions? This challenge can be framed as an out-of-distribution (OOD) generation problem. While prior research on OOD generation predominantly…

Machine Learning · Computer Science 2026-03-03 Haokai Hong , Wanyu Lin , Ming Yang , Kay Chen Tan

Generative models have achieved success in producing semantically plausible 2D images, but it remains challenging in 3D generation due to the absence of spatial geometry constraints. Typically, existing methods utilize geometric features as…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Haonan Wang , Hanyu Zhou , Haoyue Liu , Tao Gu , Luxin Yan

Generative models have enjoyed widespread success in a variety of applications. However, they encounter inherent mathematical limitations in modeling distributions where samples are constrained by equalities, as is frequently the setting in…

Machine Learning · Computer Science 2026-02-02 Katherine Keegan , Lars Ruthotto

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

Machine Learning · Computer Science 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

Quantum computers can efficiently sample from probability distributions that are believed to be classically intractable, providing a foundation for quantum generative modeling. However, practical training of such models remains challenging,…

Quantum Physics · Physics 2025-11-18 Maria Demidik , Cenk Tüysüz , Michele Grossi , Karl Jansen

Diffusion models have emerged as preeminent contenders in the realm of generative models. Distinguished by their distinctive sequential generative processes, characterized by hundreds or even thousands of timesteps, diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Haojun Sun , Chen Tang , Zhi Wang , Yuan Meng , Jingyan jiang , Xinzhu Ma , Wenwu Zhu