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We present a novel method for training score-based generative models which uses nonlinear noising dynamics to improve learning of structured distributions. Generalizing to a nonlinear drift allows for additional structure to be incorporated…

Machine Learning · Statistics 2025-07-10 Jeremiah Birrell , Markos A. Katsoulakis , Luc Rey-Bellet , Benjamin J. Zhang , Wei Zhu

Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Large-scale generative models have shown impressive image-generation capabilities, propelled by massive data. However, this often inadvertently leads to the generation of harmful or inappropriate content and raises copyright concerns.…

Machine Learning · Computer Science 2025-03-11 Myeongseob Ko , Henry Li , Zhun Wang , Jonathan Patsenker , Jiachen T. Wang , Qinbin Li , Ming Jin , Dawn Song , Ruoxi Jia

How diffusion models generalize beyond their training set is not known, and is somewhat mysterious given two facts: the optimum of the denoising score matching (DSM) objective usually used to train diffusion models is the score function of…

Machine Learning · Computer Science 2025-04-18 John J. Vastola

Molecular conformation generation poses a significant challenge in the field of computational chemistry. Recently, Diffusion Probabilistic Models (DPMs) and Score-Based Generative Models (SGMs) are effectively used due to their capacity for…

Machine Learning · Computer Science 2024-09-24 Sijia Wang , Chen Wang , Zhenhao Zhao , Jiqiang Zhang , Weiran Cai

Estimation of density functions supported on general domains arises when the data is naturally restricted to a proper subset of the real space. This problem is complicated by typically intractable normalizing constants. Score matching…

Methodology · Statistics 2020-09-25 Shiqing Yu , Mathias Drton , Ali Shojaie

In this paper, we provide new theoretical results on the generalization properties of learning algorithms for multiclass classification problems. The originality of our work is that we propose to use the confusion matrix of a classifier as…

Machine Learning · Computer Science 2012-05-25 Pierre Machart , Liva Ralaivola

Zero-shot learning (ZSL) aims to transfer knowledge from seen classes to semantically related unseen classes, which are absent during training. The promising strategies for ZSL are to synthesize visual features of unseen classes conditioned…

Artificial Intelligence · Computer Science 2021-12-30 Yun Li , Zhe Liu , Lina Yao , Xiaojun Chang

We provide theoretical convergence guarantees for score-based generative models (SGMs) such as denoising diffusion probabilistic models (DDPMs), which constitute the backbone of large-scale real-world generative models such as DALL$\cdot$E…

Machine Learning · Computer Science 2023-04-18 Sitan Chen , Sinho Chewi , Jerry Li , Yuanzhi Li , Adil Salim , Anru R. Zhang

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or…

Machine Learning · Computer Science 2022-06-16 Jaehyeong Jo , Seul Lee , Sung Ju Hwang

Fairness-aware domain generalization (FairDG) has emerged as a critical challenge for deploying trustworthy AI systems, particularly in scenarios involving distribution shifts. Traditional methods for addressing fairness have failed in…

Machine Learning · Computer Science 2025-05-01 Yujie Lin , Dong Li , Minglai Shao , Guihong Wan , Chen Zhao

Many probabilistic models that have an intractable normalizing constant may be extended to contain covariates. Since the evaluation of the exact likelihood is difficult or even impossible for these models, score matching was proposed to…

Statistics Theory · Mathematics 2022-03-21 Jiazhen Xu , Janice L. Scealy , Andrew T. A. Wood , Tao Zou

In statistical learning theory, generalization error is used to quantify the degree to which a supervised machine learning algorithm may overfit to training data. Recent work [Xu and Raginsky (2017)] has established a bound on the…

Machine Learning · Computer Science 2018-01-16 Ankit Pensia , Varun Jog , Po-Ling Loh

Generative modeling in machine learning aims to synthesize new data samples that are statistically similar to those observed during training. While conventional generative models such as GANs and diffusion models typically assume access to…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Milad Abdollahzadeh , Guimeng Liu , Touba Malekzadeh , Christopher T. H. Teo , Keshigeyan Chandrasegaran , Ngai-Man Cheung

Modern data analysis increasingly requires flexible conditional inference P(X_B | X_A) where (X_A, X_B) is an arbitrary partition of observed variable X. Existing approaches are either restricted to a fixed conditioning structure or depend…

Machine Learning · Statistics 2026-03-11 Qiao Liu , Wing Hung Wong

Reversing a diffusion process by learning its score forms the heart of diffusion-based generative modeling and for estimating properties of scientific systems. The diffusion processes that are tractable center on linear processes with a…

Machine Learning · Computer Science 2024-07-12 Raghav Singhal , Mark Goldstein , Rajesh Ranganath

Most complex machine learning and modelling techniques are prone to over-fitting and may subsequently generalise poorly to future data. Artificial neural networks are no different in this regard and, despite having a level of implicit…

Machine Learning · Statistics 2022-05-26 Vincent Szolnoky , Viktor Andersson , Balazs Kulcsar , Rebecka Jörnsten

Condition and structural health monitoring (CM/SHM) is a pivotal component of predictive maintenance (PdM) strategies across diverse industrial sectors, including mechanical rotating machinery, aircraft structures, wind turbines, and civil…

Computational Engineering, Finance, and Science · Computer Science 2026-02-17 Xin Yang , Chen Fang , Yunlai Liao , Jian Yang , Konstantinos Gryllias , Dimitrios Chronopoulos

A number of competing hypotheses have been proposed to explain why small-batch Stochastic Gradient Descent (SGD)leads to improved generalization over the full-batch regime, with recent work crediting the implicit regularization of various…

Machine Learning · Computer Science 2022-11-30 Zachary Novack , Simran Kaur , Tanya Marwah , Saurabh Garg , Zachary C. Lipton

The remarkable success of deep learning in recent years has prompted applications in medical image classification and diagnosis tasks. While classification models have demonstrated robustness in classifying simpler datasets like MNIST or…

Computer Vision and Pattern Recognition · Computer Science 2025-02-26 Sushmita Sarker , Prithul Sarker , George Bebis , Alireza Tavakkoli