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We present a generative modeling framework for atomistic systems that combines score-based diffusion for atomic positions with a novel continuous-time discrete diffusion process for atomic types. This approach enables flexible and…

Computational Physics · Physics 2025-09-17 Nikolaj Rønne , Bjørk Hammer

Quantum computing holds immense potential, yet its practical success depends on multiple factors, including advances in quantum circuit design. In this paper, we introduce a generative approach based on denoising diffusion models (DMs) to…

Quantum Physics · Physics 2025-07-24 Daniel Barta , Darya Martyniuk , Johannes Jung , Adrian Paschke

Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice. To facilitate the discovery of stable material, we present…

Artificial Intelligence · Computer Science 2025-09-30 Zhelin Li , Rami Mrad , Runxian Jiao , Guan Huang , Jun Shan , Shibing Chu , Yuanping Chen

Previous experimental studies have shown that when a layer of solid particles is explosively dispersed, the particles often develop a non-uniform spatial distribution. The instabilities within the particle bed and at the particle layer…

Fluid Dynamics · Physics 2015-05-30 David L. Frost , Yann Grégoire , Sam Goroshin , Fan Zhang

We introduce the first generative model trained on the JetClass dataset. Our model generates jets at the constituent level, and it is a permutation-equivariant continuous normalizing flow (CNF) trained with the flow matching technique. It…

High Energy Physics - Phenomenology · Physics 2025-03-27 Joschka Birk , Erik Buhmann , Cedric Ewen , Gregor Kasieczka , David Shih

Diffusion models have been popular for point cloud generation tasks. Existing works utilize the forward diffusion process to convert the original point distribution into a noise distribution and then learn the reverse diffusion process to…

Computer Vision and Pattern Recognition · Computer Science 2024-04-04 Yukun Li , Liping Liu

Generation of random thermal particle momenta is a basic task in many problems, such as microscopic studies of equilibrium and transport properties of systems, or the conversion of a fluid to particles. In heavy-ion physics, the…

Nuclear Theory · Physics 2012-12-11 Denes Molnar

Next-generation galaxy surveys promise unprecedented precision in testing gravity at cosmological scales. However, realising this potential requires accurately modelling the non-linear cosmic web. We address this challenge by exploring…

Cosmology and Nongalactic Astrophysics · Physics 2025-08-20 Julieth Katherine Riveros , Paola Saavedra , Hector J. Hortua , Jorge Enrique Garcia-Farieta , Ivan Olier

Diffusion models have emerged as a powerful tool for point cloud generation. A key component that drives the impressive performance for generating high-quality samples from noise is iteratively denoise for thousands of steps. While…

Computer Vision and Pattern Recognition · Computer Science 2022-12-06 Lemeng Wu , Dilin Wang , Chengyue Gong , Xingchao Liu , Yunyang Xiong , Rakesh Ranjan , Raghuraman Krishnamoorthi , Vikas Chandra , Qiang Liu

We present a probabilistic model for point cloud generation, which is fundamental for various 3D vision tasks such as shape completion, upsampling, synthesis and data augmentation. Inspired by the diffusion process in non-equilibrium…

Computer Vision and Pattern Recognition · Computer Science 2021-06-15 Shitong Luo , Wei Hu

In the particle-flow approach information from all available sub-detector systems is combined to reconstruct all stable particles. The global event reconstruction has been shown to improve, in particular, the resolution of jet energy and…

Nuclear Experiment · Physics 2019-08-13 Matthew Nguyen

Synthesizing fully developed three-dimensional turbulent velocity fields remains a long-standing problem in fluid mechanics and an open challenge for generative modeling. The difficulty arises from the coexistence of extreme dimensionality,…

Fluid Dynamics · Physics 2026-03-16 Tianyi Li , Michele Buzzicotti , Fabio Bonaccorso , Luca Biferale

Most natural objects have inherent complexity and variability. While some simple objects can be modeled from first principles, many real-world phenomena, such as cloud formation, require computationally expensive simulations that limit…

Machine Learning · Computer Science 2025-06-13 Nadav Torem , Tamar Sde-Chen , Yoav Y. Schechner

We introduce a new framework called DiffGEPCI for cross-modality generation in magnetic resonance imaging (MRI) using a 2.5D conditional diffusion model. DiffGEPCI can synthesize high-quality Fluid Attenuated Inversion Recovery (FLAIR) and…

Image and Video Processing · Electrical Eng. & Systems 2024-04-22 Yuyang Hu , Satya V. V. N. Kothapalli , Weijie Gan , Alexander L. Sukstanskii , Gregory F. Wu , Manu Goyal , Dmitriy A. Yablonskiy , Ulugbek S. Kamilov

Algorithms based on the particle flow approach are becoming increasingly utilized in collider experiments due to their superior jet energy and missing energy resolution compared to the traditional calorimeter-based measurements. Such…

High Energy Physics - Experiment · Physics 2015-03-20 Andrey Elagin , Pavel Murat , Alexandre Pranko , Alexei Safonov

Simulating showers of particles in highly-granular calorimeters is a key frontier in the application of machine learning to particle physics. Achieving high accuracy and speed with generative machine learning models can enable them to…

Instrumentation and Detectors · Physics 2026-02-02 Thorsten Buss , Frank Gaede , Gregor Kasieczka , Anatolii Korol , Katja Krüger , Peter McKeown , Martina Mozzanica

In the reconstruction of physics events at future e$^+$e$^-$ colliders the calorimeter design has a crucial role in the overall detector performance. The reconstruction of events with many jets in their final state sets stringent…

High Energy Physics - Experiment · Physics 2022-06-22 Marco T. Lucchini , Lorenzo Pezzotti , Giacomo Polesello , Christopher G. Tully

Diffusion models are generative models that have shown significant advantages compared to other generative models in terms of higher generation quality and more stable training. However, the computational need for training diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2023-07-06 Gulcin Baykal , Halil Faruk Karagoz , Taha Binhuraib , Gozde Unal

Generating realistic 3D point clouds is a fundamental problem in computer vision with applications in remote sensing, robotics, and digital object modeling. Existing generative approaches primarily capture geometry, and when semantics are…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Gunner Stone , Sushmita Sarker , Alireza Tavakkoli

Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…