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Simulating turbulent flows is crucial for a wide range of applications, and machine learning-based solvers are gaining increasing relevance. However, achieving temporal stability when generalizing to longer rollout horizons remains a…

Machine Learning · Computer Science 2024-12-12 Georg Kohl , Li-Wei Chen , Nils Thuerey

Autoregressive next-step prediction models have become the de-facto standard for building data-driven neural solvers to forecast time-dependent partial differential equations (PDEs). Denoise training that is closely related to diffusion…

Machine Learning · Computer Science 2025-03-31 Zijie Li , Anthony Zhou , Amir Barati Farimani

Flow matching has emerged as a powerful framework for generative modeling, offering computational advantages over diffusion models by leveraging deterministic Ordinary Differential Equations (ODEs) instead of stochastic dynamics. While…

Machine Learning · Computer Science 2025-03-13 Chengyue Gong , Xiaoyu Li , Yingyu Liang , Jiangxuan Long , Zhenmei Shi , Zhao Song , Yu Tian

Pretraining on large-scale collections of PDE-governed spatiotemporal trajectories has recently shown promise for building generalizable models of dynamical systems. Yet most existing PDE foundation models rely on deterministic Transformer…

Machine Learning · Computer Science 2026-04-21 Zituo Chen , Sili Deng

We propose DiffusionRollout, a novel selective rollout planning strategy for autoregressive diffusion models, aimed at mitigating error accumulation in long-horizon predictions of physical systems governed by partial differential equations…

Artificial Intelligence · Computer Science 2026-02-17 Seungwoo Yoo , Juil Koo , Daehyeon Choi , Minhyuk Sung

Statistical surrogate modeling of fluid flows is hard because dynamics are multiscale and highly sensitive to initial conditions. Conditional diffusion surrogates can be accurate, but usually need hundreds of stochastic sampling steps. We…

Machine Learning · Computer Science 2026-02-10 Victor Armegioiu , Yannick Ramic , Siddhartha Mishra

Dataset distillation compresses large datasets into compact synthetic sets with comparable performance in training models. Despite recent progress on diffusion-based distillation, this type of method typically depends on heuristic guidance…

Machine Learning · Computer Science 2026-02-06 Xuhui Li , Zhengquan Luo , Xiwei Liu , Yongqiang Yu , Zhiqiang Xu

Elucidating reaction mechanisms hinges on efficiently generating transition states (TSs), products, and complete reaction networks. Recent generative models, such as diffusion models for TS sampling and sequence-based architectures for…

Chemical Physics · Physics 2025-11-06 Ping Tuo , Jiale Chen , Ju Li

Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and…

Machine Learning · Statistics 2026-05-26 Xifeng Zhang , Jin Zhao

Flow Matching has recently emerged as a popular class of generative models for simulating a target distribution $\mu_1$ from samples drawn from a source distribution $\mu_0$. This framework relies on a fixed coupling between $\mu_0$ and…

Machine Learning · Computer Science 2026-05-12 Le-Tuyet-Nhi Pham , Giovanni Conforti , Zhenjie Ren , Alain Durmus

We present a discretization-free scalable framework for solving a large class of mass-conserving partial differential equations (PDEs), including the time-dependent Fokker-Planck equation and the Wasserstein gradient flow. The main…

Machine Learning · Computer Science 2023-11-15 Lingxiao Li , Samuel Hurault , Justin Solomon

Diffusion-based generative models have achieved remarkable performance across various domains, yet their practical deployment is often limited by high sampling costs. While prior work focuses on training objectives or individual solvers,…

Machine Learning · Computer Science 2026-02-16 Sangwoo Jo , Sungjoon Choi

We provide the first polynomial-time convergence guarantees for the probability flow ODE implementation (together with a corrector step) of score-based generative modeling. Our analysis is carried out in the wake of recent results obtaining…

Machine Learning · Computer Science 2023-05-22 Sitan Chen , Sinho Chewi , Holden Lee , Yuanzhi Li , Jianfeng Lu , Adil Salim

Generative policies based on diffusion models and flow matching have shown strong promise for offline reinforcement learning (RL), but their applicability remains largely confined to continuous action spaces. To address a broader range of…

Machine Learning · Computer Science 2026-05-14 Fairoz Nower Khan , Nabuat Zaman Nahim , Ruiquan Huang , Haibo Yang , Peizhong Ju

Score-based diffusion models have emerged as a powerful class of generative methods, achieving state-of-the-art performance across diverse domains. Despite their empirical success, the mathematical foundations of those models remain only…

Optimization and Control · Mathematics 2026-05-13 Kang Liu , Enrique Zuazua

Flow matching has emerged as a simulation-free alternative to diffusion-based generative modeling, producing samples by solving an ODE whose time-dependent velocity field is learned along an interpolation between a simple source…

Machine Learning · Statistics 2026-04-10 Shivam Kumar , Yixin Wang , Lizhen Lin

Discrete flow models offer a powerful framework for learning distributions over discrete state spaces and have demonstrated superior performance compared to the discrete diffusion models. However, their convergence properties and error…

Statistics Theory · Mathematics 2026-05-27 Zhengyan Wan , Yidong Ouyang , Qiang Yao , Liyan Xie , Fang Fang , Hongyuan Zha , Guang Cheng

Forecasting high-dimensional, PDE-governed dynamics remains a core challenge for generative modeling. Existing autoregressive and diffusion-based approaches often suffer cumulative errors and discretisation artifacts that limit long,…

Machine Learning · Computer Science 2025-10-20 Yolanne Yi Ran Lee , Kyriakos Flouris

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not…

Machine Learning · Computer Science 2025-09-03 An B. Vuong , Michael T. McCann , Javier E. Santos , Yen Ting Lin

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this…

Machine Learning · Computer Science 2024-11-06 Itai Gat , Tal Remez , Neta Shaul , Felix Kreuk , Ricky T. Q. Chen , Gabriel Synnaeve , Yossi Adi , Yaron Lipman
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