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Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

Generating samples from limited information is a fundamental problem across scientific domains. Classical maximum entropy methods provide principled uncertainty quantification from moment constraints but require sampling via MCMC or…

Consistency models imitate the multi-step sampling of score-based diffusion in a single forward pass of a neural network. They can be learned in two ways: consistency distillation and consistency training. The former relies on the true…

Machine Learning · Computer Science 2025-07-03 Thibaut Issenhuth , Sangchul Lee , Ludovic Dos Santos , Jean-Yves Franceschi , Chansoo Kim , Alain Rakotomamonjy

Molecular graph generation (MGG) is essentially a multi-class generative task, aimed at predicting categories of atoms and bonds under strict chemical and structural constraints. However, many prevailing diffusion paradigms learn to regress…

Machine Learning · Computer Science 2026-01-21 Yida Xiong , Jiameng Chen , Kun Li , Hongzhi Zhang , Xiantao Cai , Jia Wu , Wenbin Hu

Denoising diffusion models are a recent class of generative models exhibiting state-of-the-art performance in image and audio synthesis. Such models approximate the time-reversal of a forward noising process from a target distribution to a…

Machine Learning · Statistics 2023-05-30 Valentin De Bortoli

Manifold learning flows are a class of generative modelling techniques that assume a low-dimensional manifold description of the data. The embedding of such a manifold into the high-dimensional space of the data is achieved via learnable…

Machine Learning · Statistics 2025-03-07 Kyriakos Flouris , Ender Konukoglu

The scarcity of labeled data is a long-standing challenge for many machine learning tasks. We propose our gradient flow method to leverage the existing dataset (i.e., source) to generate new samples that are close to the dataset of interest…

Machine Learning · Computer Science 2023-11-06 Xinru Hua , Truyen Nguyen , Tam Le , Jose Blanchet , Viet Anh Nguyen

Sampling from high-dimensional, multi-modal distributions remains a fundamental challenge across domains such as statistical Bayesian inference and physics-based machine learning. In this paper, we propose Annealing Flow (AF), a method…

Machine Learning · Statistics 2025-05-28 Dongze Wu , Yao Xie

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

Many generative models attempt to replicate the density of their input data. However, this approach is often undesirable, since data density is highly affected by sampling biases, noise, and artifacts. We propose a method called SUGAR…

Machine Learning · Computer Science 2018-09-10 Ofir Lindenbaum , Jay S. Stanley , Guy Wolf , Smita Krishnaswamy

Generative networks have shown remarkable success in learning complex data distributions, particularly in generating high-dimensional data from lower-dimensional inputs. While this capability is well-documented empirically, its theoretical…

Machine Learning · Computer Science 2025-04-02 Kevin Wang , Hongqian Niu , Yixin Wang , Didong Li

Flow-based Generative Models (FGMs) effectively transform noise into complex data distributions. Incorporating Optimal Transport (OT) to couple noise and data during FGM training has been shown to improve the straightness of flow…

Machine Learning · Computer Science 2025-10-20 Lingkai Kong , Molei Tao , Yang Liu , Bryan Wang , Jinmiao Fu , Chien-Chih Wang , Huidong Liu

Diffusion models accomplish remarkable success in data generation tasks across various domains. However, the iterative sampling process is computationally expensive. Consistency models are proposed to learn consistency functions to map from…

Machine Learning · Computer Science 2025-05-07 Yiding Chen , Yiyi Zhang , Owen Oertell , Wen Sun

Flow Matching enables simulation-free training of generative models on Riemannian manifolds, yet sampling typically still relies on numerically integrating a probability-flow ODE. We propose Riemannian MeanFlow (RMF), extending MeanFlow to…

Machine Learning · Computer Science 2026-05-21 Zichen Zhong , Haoliang Sun , Yukun Zhao , Yongshun Gong , Yilong Yin

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Generative models based on latent variables, such as generative adversarial networks (GANs) and variational auto-encoders (VAEs), have gained lots of interests due to their impressive performance in many fields. However, many data such as…

Machine Learning · Statistics 2024-09-30 Yixuan Qiu , Qingyi Gao , Xiao Wang

Weak gravitational lensing maps compactly encode the evolution of cosmic large-scale structure and are a key tool for cosmological analyses. Performing inference directly at the map level allows flexible choices of statistics and can…

Cosmology and Nongalactic Astrophysics · Physics 2026-05-25 Guangjian Li , Tomasz Kacprzak

Neural samplers such as variational autoencoders (VAEs) or generative adversarial networks (GANs) approximate distributions by transforming samples from a simple random source---the latent space---to samples from a more complex distribution…

Machine Learning · Statistics 2018-02-09 Nutan Chen , Alexej Klushyn , Richard Kurle , Xueyan Jiang , Justin Bayer , Patrick van der Smagt

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

Conditional distribution is a fundamental quantity for describing the relationship between a response and a predictor. We propose a Wasserstein generative approach to learning a conditional distribution. The proposed approach uses a…

Machine Learning · Computer Science 2021-12-21 Shiao Liu , Xingyu Zhou , Yuling Jiao , Jian Huang