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Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in…

Machine Learning · Computer Science 2025-02-18 Sohil Atul Shah , Vladlen Koltun

The accurate prediction of phase diagrams is of central importance for both the fundamental understanding of materials as well as for technological applications in material sciences. However, the computational prediction of the relative…

Statistical Mechanics · Physics 2024-11-26 Maximilian Schebek , Michele Invernizzi , Frank Noé , Jutta Rogal

The flow matching has rapidly become a dominant paradigm in classical generative modeling, offering an efficient way to interpolate between two complex distributions. We extend this idea to the quantum realm and introduce the Quantum Flow…

Quantum Physics · Physics 2026-02-03 Zidong Cui , Pan Zhang , Ying Tang

Diffusion models have shown great promise for image and video generation, but sampling from state-of-the-art models requires expensive numerical integration of a generative ODE. One approach for tackling this problem is rectified flows,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Sangyun Lee , Zinan Lin , Giulia Fanti

We propose a novel framework for learning linear time-invariant (LTI) models for a class of continuous-time non-autonomous nonlinear dynamics based on a representation of Koopman operators. In general, the operator is infinite-dimensional…

Systems and Control · Electrical Eng. & Systems 2022-05-24 Petar Bevanda , Max Beier , Shahab Heshmati-Alamdari , Stefan Sosnowski , Sandra Hirche

Koopman analysis provides a general framework from which to analyze a nonlinear dynamical system in terms of a linear operator acting on an infinite-dimensional observable space. This theoretical framework provides a rigorous underpinning…

Dynamical Systems · Mathematics 2022-10-11 Dan Wilson

Straightening the probability flow of the continuous-time generative models, such as diffusion models or flow-based models, is the key to fast sampling through the numerical solvers, existing methods learn a linear path by directly…

Machine Learning · Computer Science 2024-02-16 Jongmin Yoon , Juho Lee

Unsupervised anomaly detection is often framed around two widely studied paradigms. Deep one-class classification, exemplified by Deep SVDD, learns compact latent representations of normality, while density estimators realized by…

Machine Learning · Computer Science 2025-10-13 Faried Abu Zaid , Tim Katzke , Emmanuel Müller , Daniel Neider

Flow-based generative models have highly desirable properties like exact log-likelihood evaluation and exact latent-variable inference, however they are still in their infancy and have not received as much attention as alternative…

Computer Vision and Pattern Recognition · Computer Science 2020-04-06 Albert Pumarola , Stefan Popov , Francesc Moreno-Noguer , Vittorio Ferrari

The AC optimal power flow (AC-OPF) problem is essential for power system operations, but its non-convex nature makes it challenging to solve. A widely used simplification is the linearized DC optimal power flow (DC-OPF) problem, which can…

Systems and Control · Electrical Eng. & Systems 2025-01-28 Salvador Pineda , Juan Pérez-Ruiz , Juan Miguel Morales

Over the last few years, several works have proposed deep learning architectures to learn dynamical systems from observation data with no or little knowledge of the underlying physics. A line of work relies on learning representations where…

Machine Learning · Computer Science 2023-03-14 Anthony Frion , Lucas Drumetz , Mauro Dalla Mura , Guillaume Tochon , Abdeldjalil Aissa El Bey

Normalizing flows are a powerful technique for obtaining reparameterizable samples from complex multimodal distributions. Unfortunately, current approaches are only available for the most basic geometries and fall short when the underlying…

Machine Learning · Statistics 2021-05-03 Luca Falorsi

Generating high-dimensional visual modalities is a computationally intensive task. A common solution is progressive generation, where the outputs are synthesized in a coarse-to-fine spectral autoregressive manner. While diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Moayed Haji-Ali , Willi Menapace , Ivan Skorokhodov , Arpit Sahni , Sergey Tulyakov , Vicente Ordonez , Aliaksandr Siarohin

Normalizing flows model a complex target distribution in terms of a bijective transform operating on a simple base distribution. As such, they enable tractable computation of a number of important statistical quantities, particularly…

Machine Learning · Computer Science 2022-09-01 Chandramouli Shama Sastry , Andreas Lehrmann , Marcus Brubaker , Alexander Radovic

Flow matching has emerged as a powerful generative framework, with recent few-step methods achieving remarkable inference acceleration. However, we identify a critical yet overlooked limitation: these models suffer from severe diversity…

Machine Learning · Computer Science 2026-04-15 Yexiong Lin , Jia Shi , Shanshan Ye , Wanyu Wang , Yu Yao , Tongliang Liu

Iterative generative models such as Flow Matching and Diffusion models have demonstrated strong test-time scaling behavior, where additional inference computation can improve generation quality. In contrast, Drift Models offer efficient…

Machine Learning · Computer Science 2026-05-19 Chenrui Ma , Xi Xiao , Lin Zhao , Tianyang Wang , Ferdinando Fioretto , Yanning Shen

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

Machine Learning · Computer Science 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

Flow Matching has emerged as a powerful framework for learning continuous transformations between distributions, enabling high-fidelity generative modeling. This work introduces Symmetrical Flow Matching (SymmFlow), a new formulation that…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Francisco Caetano , Christiaan Viviers , Peter H. N. De With , Fons van der Sommen

Digital twins (DTs) rely on continuous synchronization between physical systems and their virtual counterparts through online parameter estimation under uncertainty. In many practical settings, however, this task is challenged by low…

Computational Engineering, Finance, and Science · Computer Science 2026-05-19 Yasar Yanik , Himadri Basu , Ricardo G. Sanfelice , Daniele Venturi

Score Distillation Sampling (SDS) has made significant strides in distilling image-generative models for 3D generation. However, its maximum-likelihood-seeking behavior often leads to degraded visual quality and diversity, limiting its…

Computer Vision and Pattern Recognition · Computer Science 2025-01-10 Runjie Yan , Yinbo Chen , Xiaolong Wang