English
Related papers

Related papers: Diffusion-based Generative Machine Learning Model …

200 papers

To this date the safety assessment of materials, used for example in the nuclear power sector, commonly relies on a fracture mechanical analysis utilizing macroscopic concepts, where a global load quantity K or J is compared to the…

Machine Learning · Computer Science 2024-03-28 Johannes Rosenberger , Johannes Tlatlik , Sebastian Münstermann

Automated ultrasonic weld inspection remains a significant challenge in the nondestructive evaluation (NDE) community to factors such as limited training data (due to the complexity of curating experimental specimens or high-fidelity…

Machine Learning · Computer Science 2025-10-20 Joshua R. Tempelman , Adam J. Wachtor , Eric B. Flynn

Quantitative analysis of microstructural features on the nanoscale, including precipitates, local chemical orderings (LCOs) or structural defects (e.g. stacking faults) plays a pivotal role in understanding the mechanical and physical…

In this work, we present FRIGID, a framework with a novel diffusion language model that generates molecular structures conditioned on mass spectra via intermediate fingerprint representations and determined chemical formulae, training at…

Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…

Chemical Physics · Physics 2023-08-09 Hazem Daoud , Dhruv Sirohi , Endri Mjeku , John Feng , Saeed Oghbaey , R. J. Dwayne Miller

In real-world material research, machine learning (ML) models are usually expected to predict and discover novel exceptional materials that deviate from the known materials. It is thus a pressing question to provide an objective evaluation…

Materials Science · Physics 2024-01-17 Sadman Sadeed Omee , Nihang Fu , Rongzhi Dong , Ming Hu , Jianjun Hu

Additive Manufacturing (AM) is a crucial component of the smart industry. In this paper, we propose an automated quality grading system for the AM process using a deep convolutional neural network (CNN) model. The CNN model is trained…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Yaser Banadaki , Nariman Razaviarab , Hadi Fekrmandi , Safura Sharifi

The Kinetic Monte Carlo (KMC) method has become an important tool for examination of phenomena like surface diffusion and thin film growth because of its ability to carry out simulations for time scales that are relevant to experiments. But…

Materials Science · Physics 2007-05-23 Talat S. Rahman , Abdelkader Kara , Altaf Karim , Oleg Trushin

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette

Achieving robust generalization against unseen attacks remains a challenge in Audio Deepfake Detection (ADD), driven by the rapid evolution of generative models. To address this, we propose a framework centered on hard sample…

Sound · Computer Science 2026-04-30 Bo Cheng , Songjun Cao , Xiaoming Zhang , Jie Chen , Long Ma , Fei Chen

Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…

Materials Science · Physics 2021-11-24 Boyu Zhang , Mushen Zhou , Jianzhong Wu , Fuchang Gao

The development of next-generation autonomous control of fission systems, such as nuclear power plants, will require leveraging advancements in machine learning. For fission systems, accurate prediction of nuclear transport is important to…

Computational Physics · Physics 2021-06-01 Akshay J. Dave , Jiankai Yu , Jarod Wilson , Bren Phillips , Kaichao Sun , Benoit Forget

Purpose: Magnetic Resonance Imaging (MRI) enables non-invasive assessment of brain abnormalities during early life development. Permanent magnet scanners operating in the neonatal intensive care unit (NICU) facilitate MRI of sick infants,…

Image and Video Processing · Electrical Eng. & Systems 2025-05-23 Yamin Arefeen , Brett Levac , Bhairav Patel , Chang Ho , Jonathan I. Tamir

This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate…

Materials Science · Physics 2024-06-25 Mohammad Naqizadeh Jahromi , Mohammad Ravandi

Generative modeling has recently undergone remarkable advancements, primarily propelled by the transformative implications of Diffusion Probabilistic Models (DPMs). The impressive capability of these models, however, often entails…

Machine Learning · Computer Science 2023-10-03 Gongfan Fang , Xinyin Ma , Xinchao Wang

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

The traditional techniques for extracting polycrystalline grain structures from microscopy images, such as transmission electron microscopy (TEM) and scanning electron microscopy (SEM), are labour-intensive, subjective, and time-consuming,…

Machine Learning · Computer Science 2025-04-22 Ahmed Sobhi Saleh , Kristof Croes , Hajdin Ceric , Ingrid De Wolf , Houman Zahedmanesh

Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…

Materials Science · Physics 2025-08-13 Kamal Choudhary

We propose an adaptive scheme for distributed learning of nonlinear functions by a network of nodes. The proposed algorithm consists of a local adaptation stage utilizing multiple kernels with projections onto hyperslabs and a diffusion…

Signal Processing · Electrical Eng. & Systems 2018-09-05 Ban-Sok Shin , Masahiro Yukawa , Renato Luis Garrido Cavalcante , Armin Dekorsy

Physics-informed neural networks have been widely applied to solid mechanics problems. However, balancing the governing partial differential equations and boundary conditions remains challenging, particularly in fracture mechanics, where…

Computational Engineering, Finance, and Science · Computer Science 2026-04-13 Shuwei Zhou , Christian Haeffner , Shuancheng Wang , Sophie Stebner , Zhen Liao , Bing Yang , Zhichao Wei , Sebastian Muenstermann