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Sampling a target probability distribution with an unknown normalization constant is a fundamental challenge in computational science and engineering. Recent work shows that algorithms derived by considering gradient flows in the space of…

Machine Learning · Statistics 2024-03-12 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M Stuart

Solving high-dimensional Fokker-Planck (FP) equations is a challenge in computational physics and stochastic dynamics, due to the curse of dimensionality (CoD) and unbounded domains. Existing deep learning approaches, such as…

Computational Physics · Physics 2026-03-25 Xiaolong Wu , Qifeng Liao

Score-based diffusion models have become a foundational paradigm for modern generative modeling, demonstrating exceptional capability in generating samples from complex high-dimensional distributions. Despite the dominant adoption of…

Machine Learning · Computer Science 2025-03-13 Changxiao Cai , Gen Li

The Optimal Power Flow (OPF) problem is a fundamental building block for the optimization of electrical power systems. It is nonlinear and nonconvex and computes the generator setpoints for power and voltage, given a set of load demands. It…

Signal Processing · Electrical Eng. & Systems 2019-12-04 Ferdinando Fioretto , Terrence W. K. Mak , Pascal Van Hentenryck

Diffusion and flow matching policies have recently demonstrated remarkable performance in robotic applications by accurately capturing multimodal robot trajectory distributions. However, their computationally expensive inference, due to the…

Importance Sampling (IS) is a widely used variance reduction technique for enhancing the efficiency of Monte Carlo methods, particularly in rare-event simulation and related applications. Despite its effectiveness, the performance of IS is…

Optimization and Control · Mathematics 2026-02-11 Liviu Aolaritei , Bart P. G. Van Parys , Henry Lam , Michael I. Jordan

Particle flow filters solve Bayesian inference problems by smoothly transforming a set of particles into samples from the posterior distribution. Particles move in state space under the flow of an McKean-Vlasov-Ito process. This work…

Optimization and Control · Mathematics 2025-05-02 Amit N Subrahmanya , Andrey A Popov , Adrian Sandu

Diffusion models approximate the denoising distribution as a Gaussian and predict its mean, whereas flow matching models reparameterize the Gaussian mean as flow velocity. However, they underperform in few-step sampling due to…

Machine Learning · Computer Science 2025-09-03 Hansheng Chen , Kai Zhang , Hao Tan , Zexiang Xu , Fujun Luan , Leonidas Guibas , Gordon Wetzstein , Sai Bi

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

Machine Learning · Computer Science 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

State-of-the-art neural network models for optical flow estimation require a dense correlation volume at high resolutions for representing per-pixel displacement. Although the dense correlation volume is informative for accurate estimation,…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Shihao Jiang , Yao Lu , Hongdong Li , Richard Hartley

We propose a novel method for sampling from unnormalized Boltzmann densities based on a probability flow ordinary differential equation (ODE) derived from linear stochastic interpolants. The key innovation of our approach is the use of a…

Numerical Analysis · Mathematics 2026-03-12 Chenguang Duan , Yuling Jiao , Gabriele Steidl , Christian Wald , Jerry Zhijian Yang , Ruizhe Zhang

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm…

Machine Learning · Computer Science 2025-08-04 David McAllister , Songwei Ge , Brent Yi , Chung Min Kim , Ethan Weber , Hongsuk Choi , Haiwen Feng , Angjoo Kanazawa

Identifying low-energy adsorption geometries on catalytic surfaces is a practical bottleneck for computational heterogeneous catalysis: the difficulty lies not only in the cost of density functional theory (DFT) but in proposing initial…

Machine Learning · Computer Science 2026-02-24 Jiangjie Qiu , Wentao Li , Honghao Chen , Leyi Zhao , Xiaonan Wang

Electrostatic generative models such as PFGM++ have recently emerged as a powerful framework, achieving state-of-the-art performance in image synthesis. PFGM++ operates in an extended data space with auxiliary dimensionality $D$, recovering…

Machine Learning · Computer Science 2025-09-29 Daniil Shlenskii , Alexander Korotin

Likelihood-free inference involves inferring parameter values given observed data and a simulator model. The simulator is computer code which takes parameters, performs stochastic calculations, and outputs simulated data. In this work, we…

Computation · Statistics 2023-01-30 Dennis Prangle , Cecilia Viscardi

In this work, the primary goal is to establish rigorous connection between the Fokker-Planck equation of neural networks with its microscopic model: the diffusion-jump stochastic process that captures the mean field behavior of collections…

Analysis of PDEs · Mathematics 2021-11-01 Jian-guo Liu , Ziheng Wang , Yuan Zhang , Zhennan Zhou

Flow matching (FM) constructs continuous-time ODE samplers by prescribing probability paths between a base distribution and a target distribution. In this note, we study FM through the lens of finite-sample plug-in estimation. In addition…

Machine Learning · Statistics 2026-05-15 Soon Hoe Lim

By approximating posterior distributions with weighted samples, particle filters (PFs) provide an efficient mechanism for solving non-linear sequential state estimation problems. While the effectiveness of particle filters has been…

Machine Learning · Computer Science 2023-12-15 Xiongjie Chen , Yunpeng Li

Normalizing flow is a generative modeling approach with efficient sampling. However, Flow-based models suffer two issues: 1) If the target distribution is manifold, due to the unmatch between the dimensions of the latent target distribution…

Machine Learning · Computer Science 2024-04-24 Qinglong Meng , Chongkun Xia , Xueqian Wang

The Fokker-Planck equation can be reformulated as a continuity equation, which naturally suggests using the associated velocity field in particle flow methods. While the resulting probability flow ODE offers appealing properties - such as…

Machine Learning · Statistics 2024-10-28 Ilja Klebanov