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Generative models such as diffusion models have achieved remarkable success in state-of-the-art image and text tasks. Recently, score-based diffusion models have extended their success beyond image generation, showing competitive…

Machine Learning · Computer Science 2024-11-27 Jia Jun Cheng Xian , Sadegh Mahdavi , Renjie Liao , Oliver Schulte

We contrasted the performance of deep neural networks - Convolutional Neural Network (CNN) and Graph Neural Network (GNN) - to current state of the art energy regression methods in a finely 3D-segmented calorimeter simulated by GEANT4. This…

Instrumentation and Detectors · Physics 2022-01-05 N. Akchurin , C. Cowden , J. Damgov , A. Hussain , S. Kunori

We present a generative diffusion model specifically tailored to the discovery of surface structures. The generative model takes into account substrate registry and periodicity by including masked atoms and $z$-directional confinement.…

Computational Physics · Physics 2025-01-22 Nikolaj Rønne , Alán Aspuru-Guzik , Bjørk Hammer

In recent years, diffusion models have achieved remarkable success in various domains of artificial intelligence, such as image synthesis, super-resolution, and 3D molecule generation. However, the application of diffusion models in graph…

Machine Learning · Computer Science 2023-06-26 Run Yang , Yuling Yang , Fan Zhou , Qiang Sun

Representing data by means of graph structures identifies one of the most valid approach to extract information in several data analysis applications. This is especially true when multimodal datasets are investigated, as records collected…

Social and Information Networks · Computer Science 2022-10-18 Andrea Marinoni , Christian Jutten , Mark Girolami

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu

Recently, diffusion-based recommendation methods have achieved impressive results. However, existing approaches predominantly treat each user's historical interactions as independent training samples, overlooking the potential of…

Social and Information Networks · Computer Science 2025-04-08 Xuan Zhang , Xiang Deng , Hongxing Yuan , Chunyu Wei , Yushun Fan

Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or…

Machine Learning · Computer Science 2016-11-07 Dorina Thanou , Xiaowen Dong , Daniel Kressner , Pascal Frossard

Collaborative filtering is a critical technique in recommender systems. It has been increasingly viewed as a conditional generative task for user feedback data, where newly developed diffusion model shows great potential. However, existing…

Information Retrieval · Computer Science 2024-04-25 Yunqin Zhu , Chao Wang , Qi Zhang , Hui Xiong

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

The paper describes a novel neural-network-based approach to study the distributions of secondaries produced in hadronic showers using observables provided by highly granular calorimeters. The response is analysed of the highly granular…

Instrumentation and Detectors · Physics 2023-01-12 M. Chadeeva , S. Korpachev

A configurable calorimeter simulation for AI (COCOA) applications is presented, based on the Geant4 toolkit and interfaced with the Pythia event generator. This open-source project is aimed to support the development of machine learning…

Graph neural networks (GNNs) are one of the most popular research topics for deep learning. GNN methods typically have been designed on top of the graph signal processing theory. In particular, diffusion equations have been widely used for…

Machine Learning · Computer Science 2023-06-16 Jeongwhan Choi , Seoyoung Hong , Noseong Park , Sung-Bae Cho

The granularity of calorimeter has been revolutionary boosted for future collider experiments. The calorimeter has been pushed to a stage that the sub structure of showers especially hadronic showers can be recorded to a high precision. New…

Instrumentation and Detectors · Physics 2014-12-11 Manqi Ruan

The Gaussian diffusion model, initially designed for image generation, has recently been adapted for 3D point cloud generation. However, these adaptations have not fully considered the intrinsic geometric characteristics of 3D shapes,…

Graphics · Computer Science 2024-08-01 Dengsheng Chen , Jie Hu , Xiaoming Wei , Enhua Wu

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

Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of performing de-novo molecular design. Although graph generative…

Machine Learning · Computer Science 2018-11-27 Rim Assouel , Mohamed Ahmed , Marwin H Segler , Amir Saffari , Yoshua Bengio

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.…

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

Chromatic calorimetry (CCAL) analyses particle detection by utilizing scintillators with distinct emission wavelengths to measure the longitudinal energy deposition of particle showers in high-energy physics, improving particle…

High Energy Physics - Experiment · Physics 2025-09-12 Devanshi Arora