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Sampling from unnormalized densities is analogous to the generative modeling problem, but the target distribution is defined by a known energy function instead of data samples. Because evaluating the energy function is often costly, a…

Machine Learning · Computer Science 2026-05-06 Aaron Havens , Brian Karrer , Neta Shaul

A central goal in systems biology and drug discovery is to predict the transcriptional response of cells to perturbations. This task is challenging due to the noisy and sparse nature of single-cell measurements, as well as the fact that…

Quantitative Methods · Quantitative Biology 2026-02-10 Chenglei Yu , Chuanrui Wang , Bangyan Liao , Tailin Wu

Deep generative models and neural operators have demonstrated significant potential for 3D aerodynamic inference. However, they often face inherent challenges in maintaining physical consistency and preserving high-frequency features,…

Numerical Analysis · Mathematics 2026-04-28 Ruiling Jiang , Yong Zhang , Houbiao Li

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 present a novel, conditional generative probabilistic model of set-valued data with a tractable log density. This model is a continuous normalizing flow governed by permutation equivariant dynamics. These dynamics are driven by a…

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Generative models, particularly Diffusion Models (DM), have shown strong potential for Computed Tomography (CT) reconstruction serving as expressive priors for solving ill-posed inverse problems. However, diffusion-based reconstruction…

Image and Video Processing · Electrical Eng. & Systems 2026-03-03 Jiayang Shi , Lincen Yang , Zhong Li , Tristan Van Leeuwen , Daniel M. Pelt , K. Joost Batenburg

We introduce Spectral Generative Flow Models (SGFMs), a physics-inspired alternative to transformer-based large language models. Instead of representing text or video as sequences of discrete tokens processed by attention, SGFMs treat…

Machine Learning · Computer Science 2026-01-23 Andrew Kiruluta

We study the time-dependent flow behavior of gravity-driven free surface granular flows using the discrete element method and continuum modeling. Discrete element method (DEM) simulations of slightly polydisperse disks flowing over a…

Fluid Dynamics · Physics 2023-04-28 Satyabrata Patro , Sumit Kumar , Anubhav Majumdar , Anurag Tripathi

Perceptual studies demonstrate that conditional diffusion models excel at reconstructing video content aligned with human visual perception. Building on this insight, we propose a video compression framework that leverages conditional…

Computer Vision and Pattern Recognition · Computer Science 2025-09-26 Fangqiu Yi , Jingyu Xu , Jiawei Shao , Chi Zhang , Xuelong Li

Gaussian process regression techniques have been used in fluid mechanics for the reconstruction of flow fields from a reduction-of-dimension perspective. A main ingredient in this setting is the construction of adapted covariance functions,…

Fluid Dynamics · Physics 2026-01-13 Adrian Padilla-Segarra , Pascal Noble , Olivier Roustant , Éric Savin

Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for…

Machine Learning · Computer Science 2026-04-21 Kijung Jeon , Michael Muehlebach , Molei Tao

Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially…

Machine Learning · Computer Science 2026-04-07 Xiuyuan Cheng , Yunqin Zhu , Yao Xie

Real-world applications of computational fluid dynamics often involve the evaluation of quantities of interest for several distinct geometries that define the computational domain or are embedded inside it. For example, design optimization…

Numerical Analysis · Mathematics 2023-08-08 Guglielmo Padula , Francesco Romor , Giovanni Stabile , Gianluigi Rozza

Generating stable molecular conformations typically forces a tradeoff between the physical realism of energy-based relaxation and the sampling efficiency of data-driven generative models. While machine learning force fields (MLFFs) can…

We consider the problem of designing constraint-aware flow matching (FM) models that address the issue of constraint violations commonly observed in vanilla generative models. We consider two scenarios, viz.: (a) when a differentiable…

Machine Learning · Computer Science 2026-05-01 Zhengyan Huan , Jacob Boerma , Li-Ping Liu , Shuchin Aeron

This paper presents a sampled-data framework for the safe navigation of controlled agents in environments cluttered with obstacles governed by uncertain linear dynamics. Collision-free motion is achieved by combining Control Barrier…

Systems and Control · Electrical Eng. & Systems 2026-01-13 Hugo Matias , Daniel Silvestre

Flow-based generative models have recently shown impressive performance for conditional generation tasks, such as text-to-image generation. However, current methods transform a general unimodal noise distribution to a specific mode of the…

Machine Learning · Computer Science 2025-02-14 Noam Issachar , Mohammad Salama , Raanan Fattal , Sagie Benaim

We extend the Particle-flow Neural Assisted Simulations (Parnassus) framework of fast simulation and reconstruction to entire collider events. In particular, we use two generative Artificial Intelligence (genAI) tools, continuous…

High Energy Physics - Experiment · Physics 2025-03-27 Etienne Dreyer , Eilam Gross , Dmitrii Kobylianskii , Vinicius Mikuni , Benjamin Nachman

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