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Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Recently, diffusion model have demonstrated impressive image generation performances, and have been extensively studied in various computer vision tasks. Unfortunately, training and evaluating diffusion models consume a lot of time and…

Computer Vision and Pattern Recognition · Computer Science 2022-10-03 Dohoon Ryu , Jong Chul Ye

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

To achieve state-of-the-art jet energy resolution for Particle Flow, sophisticated energy clustering algorithms must be developed that can fully exploit available information to separate energy deposits from charged and neutral particles.…

Diffusion models are widely used in image generation, with most relying on noise-based corruption and denoising. A distinct branch instead uses blur as the main corruption, preserving better color budgets and multi-scale detail by providing…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Jun Ma , Hanquan Zhang , Yanjun Qin , Haoyuan Guan , Ke Zhang

Deep Generative Models are frequently used to learn continuous representations of complex data distributions using a finite number of samples. For any generative model, including pre-trained foundation models with Diffusion or Transformer…

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

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

This Letter introduces an approach for precisely designing surface friction properties using a conditional generative machine learning model, specifically a diffusion denoising probabilistic model (DDPM). We created a dataset of synthetic…

Computational Physics · Physics 2024-01-11 Even Marius Nordhagen , Henrik Andersen Sveinsson , Anders Malthe-Sørenssen

Good 3D object detection performance from LiDAR-Camera sensors demands seamless feature alignment and fusion strategies. We propose the 3DifFusionDet framework in this paper, which structures 3D object detection as a denoising diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-11-08 Xinhao Xiang , Simon Dräger , Jiawei Zhang

Recent advances in machine learning have opened new avenues for optimizing detector designs in high-energy physics, where the complex interplay of geometry, materials, and physics processes has traditionally posed a significant challenge.…

Generative models realized with machine learning techniques are powerful tools to infer complex and unknown data distributions from a finite number of training samples in order to produce new synthetic data. Diffusion models are an emerging…

Quantum Physics · Physics 2024-07-18 Marco Parigi , Stefano Martina , Filippo Caruso

In future high-energy physics experiments, the electromagnetic calorimeter (ECAL) will operate in exceptionally high-luminosity. An ECAL featuring layered readout in the longitudinal direction and precise time-stamped information offers a…

High Energy Physics - Experiment · Physics 2025-05-08 J. Fei , A. Yuan , K. Wei , L. Sun , J. Wang

This paper presents PolyDiffuse, a novel structured reconstruction algorithm that transforms visual sensor data into polygonal shapes with Diffusion Models (DM), an emerging machinery amid exploding generative AI, while formulating…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Jiacheng Chen , Ruizhi Deng , Yasutaka Furukawa

While diffusion models have shown great success in image generation, their noise-inverting generative process does not explicitly consider the structure of images, such as their inherent multi-scale nature. Inspired by diffusion models and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Severi Rissanen , Markus Heinonen , Arno Solin

We provide an overview of the diffusion model as a method to generate new samples. Generative models have been recently adopted for tasks such as art generation (Stable Diffusion, Dall-E) and text generation (ChatGPT). Diffusion models in…

Machine Learning · Statistics 2025-06-13 Justin Le

The state of the art for physical hazard prediction from weather and climate requires expensive km-scale numerical simulations driven by coarser resolution global inputs. Here, a generative diffusion architecture is explored for downscaling…

Discrete diffusion models represent a significant advance in generative modeling, demonstrating remarkable success in synthesizing complex, high-quality discrete data. However, to avoid exponential computational costs, they typically rely…

Quantum Physics · Physics 2025-07-01 Chuangtao Chen , Qinglin Zhao , MengChu Zhou , Dusit Niyato , Zhimin He , Haozhen Situ

In High Energy Physics experiments Particle Flow (PFlow) algorithms are designed to provide an optimal reconstruction of the nature and kinematic properties of the particles produced within the detector acceptance during collisions. At the…

Data Analysis, Statistics and Probability · Physics 2021-02-10 Francesco Armando Di Bello , Sanmay Ganguly , Eilam Gross , Marumi Kado , Michael Pitt , Lorenzo Santi , Jonathan Shlomi

This study introduces a novel point-wise diffusion model that processes spatio-temporal points independently to efficiently predict complex physical systems with shape variations. This methodological contribution lies in applying forward…

Computational Physics · Physics 2025-08-05 Jiyong Kim , Sunwoong Yang , Namwoo Kang
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