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Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

Deep generative models such as flow and diffusion models have proven to be effective in modeling high-dimensional and complex data types such as videos or proteins, and this has motivated their use in different data modalities, such as…

Machine Learning · Computer Science 2025-04-08 Ege Erdogan

In the era of generative AI, deep generative models (DGMs) with latent representations have gained tremendous popularity. Despite their impressive empirical performance, the statistical properties of these models remain underexplored. DGMs…

Machine Learning · Statistics 2025-08-07 Seunghyun Lee , Yuqi Gu

Many systems in physics, engineering, and biology exhibit multiscale stochastic dynamics, where low-dimensional slow variables evolve under the influence of high-dimensional fast processes. In practice, observations are often limited to a…

Machine Learning · Statistics 2026-05-12 Anan Saha , Arnab Ganguly

Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…

Machine Learning · Computer Science 2026-03-19 Peter Holderrieth , Ezra Erives

Generative models have emerged as a powerful paradigm for solving physics systems and modeling complex spatiotemporal dynamics. However, achieving high physical accuracy without incurring high computational cost remains a fundamental…

Machine Learning · Computer Science 2026-05-27 Jiahe Huang , Sihan Xu , Sharvaree Vadgama , Rose Yu

Ordinary and partial differential equations (ODEs/PDEs) play a paramount role in analyzing and simulating complex dynamic processes across all corners of science and engineering. In recent years machine learning tools are aspiring to…

Machine Learning · Computer Science 2021-06-11 Sifan Wang , Paris Perdikaris

Diffusion models and flow matching have become a cornerstone of robotic imitation learning, yet they suffer from a structural inefficiency where inference is often bound to a fixed integration schedule that is agnostic to state complexity.…

Robotics · Computer Science 2026-04-28 Zunzhe Zhang , Runhan Huang , Yicheng Liu , Shaoting Zhu , Linzhan Mou , Hang Zhao

Urban wind flow modeling and simulation play an important role in air quality assessment and sustainable city planning. A key challenge for modeling and simulation is handling the complex geometries of the urban landscape. Low order models…

Machine Learning · Computer Science 2025-12-18 Francisco Giral , Álvaro Manzano , Ignacio Gómez , Petros Koumoutsakos , Soledad Le Clainche

Vision-Language Models (VLMs) learn joint representations by mapping images and text into a shared latent space. However, recent research highlights that deterministic embeddings from standard VLMs often struggle to capture the…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Aishwarya Venkataramanan , Paul Bodesheim , Joachim Denzler

Complex systems are often decomposed into modular subsystems for engineering tractability. Although various equation based white-box modeling techniques make use of such structure, learning based methods have yet to incorporate these ideas…

Machine Learning · Computer Science 2022-10-31 Jayesh K. Gupta , Sai Vemprala , Ashish Kapoor

Energy based models (EBMs) are appealing for their generality and simplicity in data likelihood modeling, but have conventionally been difficult to train due to the unstable and time-consuming implicit MCMC sampling during contrastive…

Machine Learning · Computer Science 2024-07-23 Junn Yong Loo , Michelle Adeline , Arghya Pal , Vishnu Monn Baskaran , Chee-Ming Ting , Raphael C. -W. Phan

Modern single-particle-tracking techniques produce extensive time-series of diffusive motion in a wide variety of systems, from single-molecule motion in living-cells to movement ecology. The quest is to decipher the physical mechanisms…

Statistical Mechanics · Physics 2023-09-14 Henrik Seckler , Ralf Metzler

Gaining and understanding the flow dynamics have much importance in a wide range of disciplines, e.g. astrophysics, geophysics, biology, mechanical engineering and biomedical engineering. As a reliable way in practice, especially for…

Fluid Dynamics · Physics 2022-06-22 Hui Xu , Wei Zhang , Yong Wang

System inference for nonlinear dynamic models, represented by ordinary differential equations (ODEs), remains a significant challenge in many fields, particularly when the data are noisy, sparse, or partially observable. In this paper, we…

Machine Learning · Computer Science 2025-12-25 Hyunwoo Cho , Hyeontae Jo , Hyung Ju Hwang

Latent force models are systems whereby there is a mechanistic model describing the dynamics of the system state, with some unknown forcing term that is approximated with a Gaussian process. If such dynamics are non-linear, it can be…

Machine Learning · Statistics 2019-11-05 Wil O. C. Ward , Tom Ryder , Dennis Prangle , Mauricio A. Álvarez

Many real-world systems, such as moving planets, can be considered as multi-agent dynamic systems, where objects interact with each other and co-evolve along with the time. Such dynamics is usually difficult to capture, and understanding…

Machine Learning · Computer Science 2020-11-10 Zijie Huang , Yizhou Sun , Wei Wang

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including…

Machine Learning · Computer Science 2022-03-29 Sam Bond-Taylor , Adam Leach , Yang Long , Chris G. Willcocks