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Distribution matching (DM) is a versatile domain-invariant representation learning technique that has been applied to tasks such as fair classification, domain adaptation, and domain translation. Non-parametric DM methods struggle with…

Machine Learning · Computer Science 2025-06-18 Ziyu Gong , Jim Lim , David I. Inouye

Simulating stochastic differential equations (SDEs) in bounded domains, presents significant computational challenges due to particle exit phenomena, which requires accurate modeling of interior stochastic dynamics and boundary…

Machine Learning · Statistics 2025-07-23 Minglei Yang , Yanfang Liu , Diego del-Castillo-Negrete , Yanzhao Cao , Guannan Zhang

Score-based diffusion models have recently emerged as state-of-the-art generative models for a variety of data modalities. Nonetheless, it remains unclear how to adapt these models to generate long multivariate time series. Viewing a time…

Machine Learning · Computer Science 2025-02-28 Barbora Barancikova , Zhuoyue Huang , Cristopher Salvi

Diffusion models have seen rapid adoption in robotic imitation learning, enabling autonomous execution of complex dexterous tasks. However, action synthesis is often slow, requiring many steps of iterative denoising, limiting the extent to…

Robotics · Computer Science 2024-10-14 Sigmund H. Høeg , Yilun Du , Olav Egeland

Modelling partial differential equations (PDEs) is of crucial importance in science and engineering, and it includes tasks ranging from forecasting to inverse problems, such as data assimilation. However, most previous numerical and machine…

Diffusion models have achieved remarkable success in generative modeling. However, this study confirms the existence of overfitting in diffusion model training, particularly in data-limited regimes. To address this challenge, we propose…

Machine Learning · Computer Science 2025-08-12 Liang Hou , Yuan Gao , Boyuan Jiang , Xin Tao , Qi Yan , Renjie Liao , Pengfei Wan , Di Zhang , Kun Gai

Many time series are effectively generated by a combination of deterministic continuous flows along with discrete jumps sparked by stochastic events. However, we usually do not have the equation of motion describing the flows, or how they…

Machine Learning · Computer Science 2020-01-09 Junteng Jia , Austin R. Benson

Diffusion models have gained attention for their ability to represent complex distributions and incorporate uncertainty, making them ideal for robust predictions in the presence of noisy or incomplete data. In this study, we develop and…

Machine Learning · Computer Science 2024-11-05 Yilin Zhuang , Sibo Cheng , Karthik Duraisamy

Recent score-based diffusion models (SBDMs) show promising results in unpaired image-to-image translation (I2I). However, existing methods, either energy-based or statistically-based, provide no explicit form of the interfered intermediate…

Computer Vision and Pattern Recognition · Computer Science 2023-08-07 Shikun Sun , Longhui Wei , Junliang Xing , Jia Jia , Qi Tian

Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we propose an empirical formulation of accelerated MD method,…

Materials Science · Physics 2025-12-10 Liang Wan , Qingsong Mei , Haowen Liu , Huafeng Zhang , Jun-Ping Du , Shigenobu Ogata , Wen Tong Geng

Diffusion models achieve high-quality image generation but are limited by slow iterative sampling. Distillation methods alleviate this by enabling one- or few-step generation. Flow matching, originally introduced as a distinct framework,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Mingyuan Zhou , Yi Gu , Huangjie Zheng , Liangchen Song , Guande He , Yizhe Zhang , Wenze Hu , Yinfei Yang

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size.…

Machine Learning · Computer Science 2024-10-22 Paul Hagemann , Sophie Mildenberger , Lars Ruthotto , Gabriele Steidl , Nicole Tianjiao Yang

Metastable condensed matter typically fluctuates about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of…

Computational Physics · Physics 2017-11-22 Brittan A Farmer , Mitchell Luskin , Petr Plecháč , Gideon Simpson

The proposed BSDE-based diffusion model represents a novel approach to diffusion modeling, which extends the application of stochastic differential equations (SDEs) in machine learning. Unlike traditional SDE-based diffusion models, our…

Machine Learning · Computer Science 2023-04-27 Zihao Wang

By leveraging the text-to-image diffusion priors, score distillation can synthesize 3D contents without paired text-3D training data. Instead of spending hours of online optimization per text prompt, recent studies have been focused on…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Zhiyuan Ma , Yuxiang Wei , Yabin Zhang , Xiangyu Zhu , Zhen Lei , Lei Zhang

Flow Matching (FM) policies have emerged as an efficient backbone for robotic control, offering fast and expressive action generation that underpins recent large-scale embodied AI systems. However, FM policies trained via imitation learning…

Robotics · Computer Science 2026-04-14 Xiaotian Qiu , Lukai Chen , Jinhao Li , Qi Sun , Cheng Zhuo , Guohao Dai

Commonly used optimization algorithms often show a trade-off between good generalization and fast training times. For instance, stochastic gradient descent (SGD) tends to have good generalization; however, adaptive gradient methods have…

Machine Learning · Computer Science 2023-06-14 Aditya Cowsik , Tankut Can , Paolo Glorioso

Molecular dynamics (MD) simulations remain the gold standard for studying protein dynamics, but their computational cost limits access to biologically relevant timescales. Recent generative models have shown promise in accelerating…

Machine Learning · Computer Science 2026-02-12 Nima Shoghi , Yuxuan Liu , Yuning Shen , Rob Brekelmans , Pan Li , Quanquan Gu

Low-rank tensor decompositions (TDs) provide an effective framework for multiway data analysis. Traditional TD methods rely on predefined structural assumptions, such as CP or Tucker decompositions. From a probabilistic perspective, these…

Machine Learning · Computer Science 2025-06-30 Zhengyun Cheng , Changhao Wang , Guanwen Zhang , Yi Xu , Wei Zhou , Xiangyang Ji

Creating noise from data is easy; creating data from noise is generative modeling. We present a stochastic differential equation (SDE) that smoothly transforms a complex data distribution to a known prior distribution by slowly injecting…

Machine Learning · Computer Science 2021-02-11 Yang Song , Jascha Sohl-Dickstein , Diederik P. Kingma , Abhishek Kumar , Stefano Ermon , Ben Poole