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Fluid approximations have seen great success in approximating the macro-scale behaviour of Markov systems with a large number of discrete states. However, these methods rely on the continuous-time Markov chain (CTMC) having a particular…

Systems and Control · Electrical Eng. & Systems 2019-10-29 Michalis Michaelides , Jane Hillston , Guido Sanguinetti

Discrete diffusion models have recently emerged as a powerful class of generative models for chemistry and biology data. In these fields, the goal is to generate various samples with high rewards (e.g., drug-likeness in molecules), making…

Machine Learning · Computer Science 2026-02-11 Prin Phunyaphibarn , Minhyuk Sung

Diffusion models recently developed for generative AI tasks can produce high-quality samples while still maintaining diversity among samples to promote mode coverage, providing a promising path for learning stochastic closure models.…

Machine Learning · Computer Science 2026-02-20 Xinghao Dong , Huchen Yang , Jin-long Wu

Path planning in complex environments is one of the key problems of artificial intelligence because it requires simultaneous understanding of the geometry of space and the global structure of the problem. In this paper, we explore the…

Artificial Intelligence · Computer Science 2026-02-24 Agnieszka Polowczyk , Alicja Polowczyk , Michał Wieczorek

While normalizing flows have led to significant advances in modeling high-dimensional continuous distributions, their applicability to discrete distributions remains unknown. In this paper, we show that flows can in fact be extended to…

Machine Learning · Computer Science 2019-05-27 Dustin Tran , Keyon Vafa , Kumar Krishna Agrawal , Laurent Dinh , Ben Poole

The blooming diffusion probabilistic models (DPMs) have garnered significant interest due to their impressive performance and the elegant inspiration they draw from physics. While earlier DPMs relied upon the Markovian assumption, recent…

Artificial Intelligence · Computer Science 2023-12-12 Bowen Sun , Shibao Zheng

We propose a geometry-to-flow diffusion model that utilizes obstacle shape as input to predict a flow field around an obstacle. The model is based on a learnable Markov transition kernel to recover the data distribution from the Gaussian…

Fluid Dynamics · Physics 2025-12-30 Jiajun Hu , Zhen Lu , Yue Yang

Advances in generative modeling have recently been adapted to tabular data containing discrete and continuous features. However, generating mixed-type features that combine discrete states with an otherwise continuous distribution in a…

Machine Learning · Computer Science 2026-05-14 Markus Mueller , Kathrin Gruber , Dennis Fok

For an artist or a graphic designer, the spatial layout of a scene is a critical design choice. However, existing text-to-image diffusion models provide limited support for incorporating spatial information. This paper introduces Composite…

Computer Vision and Pattern Recognition · Computer Science 2023-07-27 Vikram Jamwal , Ramaneswaran S

Diffusion Generative Models (DGM) have rapidly surfaced as emerging topics in the field of computer vision, garnering significant interest across a wide array of deep learning applications. Despite their high computational demand, these…

Image and Video Processing · Electrical Eng. & Systems 2024-11-26 Denisha Thakkar , Vincent Quoc-Huy Trinh , Sonal Varma , Samira Ebrahimi Kahou , Hassan Rivaz , Mahdi S. Hosseini

Generating molecular graphs is a challenging task due to their discrete nature and the competitive objectives involved. Diffusion models have emerged as SOTA approaches in data generation across various modalities. For molecular graphs,…

Machine Learning · Computer Science 2025-01-08 Prashanth Pombala , Gerrit Grossmann , Verena Wolf

Generative modeling over discrete data has recently seen numerous success stories, with applications spanning language modeling, biological sequence design, and graph-structured molecular data. The predominant generative modeling paradigm…

Machine Learning · Computer Science 2024-11-01 Oscar Davis , Samuel Kessler , Mircea Petrache , İsmail İlkan Ceylan , Michael Bronstein , Avishek Joey Bose

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

Fluid Dynamics · Physics 2026-02-23 Noah Trupin , Rahul Ghosh , Aadi Jangid

We introduce Categorical Flow Maps, a flow-matching method for accelerated few-step generation of categorical data via self-distillation. Building on recent variational formulations of flow matching and the broader trend towards accelerated…

This paper addresses the problem of generating dynamically admissible trajectories for control tasks using diffusion models, particularly in scenarios where the environment is complex and system dynamics are crucial for practical…

Robotics · Computer Science 2025-10-15 Darshan Gadginmath , Fabio Pasqualetti

Learning dynamical systems from incomplete or noisy data is inherently ill-posed, as a single observation may correspond to multiple plausible futures. While physics-based ensemble forecasting relies on perturbing initial states to capture…

Machine Learning · Computer Science 2026-02-27 Siddharth Rout , Eldad Haber , Stephane Gaudreault

Discrete diffusion or flow models could enable faster and more controllable sequence generation than autoregressive models. We show that na\"ive linear flow matching on the simplex is insufficient toward this goal since it suffers from…

Biomolecules · Quantitative Biology 2024-06-03 Hannes Stark , Bowen Jing , Chenyu Wang , Gabriele Corso , Bonnie Berger , Regina Barzilay , Tommi Jaakkola

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Representations based on random walks can exploit discrete data distributions for clustering and classification. We extend such representations from discrete to continuous distributions. Transition probabilities are now calculated using a…

Machine Learning · Computer Science 2012-12-12 Chen-Hsiang Yeang , Martin Szummer

Deep generative models have emerged as an exciting avenue for inverse molecular design, with progress coming from the interplay between training algorithms and molecular representations. One of the key challenges in their applicability to…