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Generative AI has seen remarkable growth over the past few years, with diffusion models being state-of-the-art for image generation. This study investigates the use of diffusion models in generating artificial data generation for electronic…

Machine Learning · Computer Science 2023-10-18 Prasha Srivastava , Pawan Kumar , Zia Abbas

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

Computational Physics · Physics 2025-09-03 Yuan Chiang , Youngsoo Choi , Daniel Osei-Kuffuor

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…

Predicting atomic-scale crack propagation in aluminum nitride (AlN) is critical for semiconductor reliability but remains prohibitively expensive via molecular dynamics (MD). We develop a diffusion-based generative machine learning model to…

Materials Science · Physics 2026-03-17 Jiali Lu , Shengfeng Yang

High-quality power flow datasets are essential for training machine learning models in power systems. However, security and privacy concerns restrict access to real-world data, making statistically accurate and physically consistent…

Machine Learning · Computer Science 2025-08-26 Milad Hoseinpour , Vladimir Dvorkin

A key question for machine learning approaches in particle physics is how to best represent and learn from collider events. As an event is intrinsically a variable-length unordered set of particles, we build upon recent machine learning…

High Energy Physics - Phenomenology · Physics 2020-04-17 Patrick T. Komiske , Eric M. Metodiev , Jesse Thaler

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

Chemical Physics · Physics 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

We discuss how photoproduction and electroproduction processes will provide a precise tool to study nuclear structure in the small-$x$ region in the future Electron-Ion Collider. In particular, we emphasize how exclusive vector meson…

Nuclear Experiment · Physics 2017-08-22 Heikki Mäntysaari

As one of the most popular and sought-after generative models in the recent years, diffusion models have sparked the interests of many researchers and steadily shown excellent advantage in various generative tasks such as image synthesis,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-17 Zhiyuan Ma , Yuzhu Zhang , Guoli Jia , Liangliang Zhao , Yichao Ma , Mingjie Ma , Gaofeng Liu , Kaiyan Zhang , Jianjun Li , Bowen Zhou

We review a broad range of phenomena in diffraction in the context of hadron-hadron, hadron-nucleus collisions and deep inelastic lepton-proton/nucleus scattering focusing on the interplay between the perturbative QCD and non-perturbative…

High Energy Physics - Phenomenology · Physics 2022-11-23 L. Frankfurt , V. Guzey , A. Stasto , M. Strikman

The upcoming Electron-Ion Collider (EIC) will address several outstanding puzzles in modern nuclear physics. Topics such as the partonic structure of nucleons and nuclei, the origin of their mass and spin, among others, can be understood…

Sampling from Boltzmann distributions, particularly those tied to high dimensional and complex energy functions, poses a significant challenge in many fields. In this work, we present the Energy-Based Diffusion Generator (EDG), a novel…

Machine Learning · Computer Science 2025-09-26 Yan Wang , Ling Guo , Hao Wu , Tao Zhou

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Electron cloud effects have become one of the main performance limitations for circular particle accelerators operating with positively-charged beams. Among other machines worldwide, the CERN Super Proton Synchrotron (SPS), as well as the…

Accelerator Physics · Physics 2020-04-22 X. Cui , S. Gilardoni , M. Giovannozzi , G. Iadarola

The NEUT event generator is a widely-used tool to simulate neutrino interactions for energies between 10s of MeV and a few TeV. NEUT plays a crucial role in neutrino oscillation analyses for the T2K and Hyper-K experiments, providing the…

High Energy Physics - Experiment · Physics 2023-01-24 S. Dolan , J. McElwee , S. Bolognesi , Y. Hayato , K. McFarland , G. Megias , K. Niewczas , L. Pickering , J. Sobczyk , L. Thompson , C. Wret

The probability distribution effectively sampled by a complex Langevin process for theories with a sign problem is not known a priori and notoriously hard to understand. Diffusion models, a class of generative AI, can learn distributions…

High Energy Physics - Lattice · Physics 2024-12-05 Diaa E. Habibi , Gert Aarts , Lingxiao Wang , Kai Zhou

The research of innovative methods aimed at reducing costs and shortening the time needed for simulation, going beyond conventional approaches based on Monte Carlo methods, has been sparked by the development of collision simulations at the…

Machine Learning · Computer Science 2024-05-24 Karol Rogoziński , Jan Dubiński , Przemysław Rokita , Kamil Deja

Generative learning models in medical research are crucial in developing training data for deep learning models and advancing diagnostic tools, but the problem of high-quality, diverse images is an open topic of research. Quantum-enhanced…

Quantum Physics · Physics 2025-08-14 Kübra Yeter-Aydeniz , Nora M. Bauer , Pranay Jain , Max Masnick

The advancements in the state of the art of generative Artificial Intelligence (AI) brought by diffusion models can be highly beneficial in novel contexts involving Earth observation data. After introducing this new family of generative…

Computer Vision and Pattern Recognition · Computer Science 2024-02-20 Fulvio Sanguigni , Mikolaj Czerkawski , Lorenzo Papa , Irene Amerini , Bertrand Le Saux

Data scarcity in the brain-computer interface field can be alleviated through the use of generative models, specifically diffusion models. While diffusion models have previously been successfully applied to electroencephalogram (EEG) data,…

Machine Learning · Computer Science 2024-11-05 Guido Klein , Pierre Guetschel , Gianluigi Silvestri , Michael Tangermann
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