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Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

Biomolecules · Quantitative Biology 2024-05-10 Ian Dunn , David Ryan Koes

Non-destructive testing is a set of techniques for defect detection in materials. While the set of imaging techniques are manifold, ultrasonic imaging is the one used the most. The analysis is mainly performed by human inspectors manually…

Image and Video Processing · Electrical Eng. & Systems 2021-07-06 Luka Posilović , Duje Medak , Marko Subasic , Marko Budimir , Sven Loncaric

The availability of rich 3D datasets corresponding to the geometrical complexity of the built environments is considered an ongoing challenge for 3D deep learning methodologies. To address this challenge, we introduce GenScan, a generative…

Computer Vision and Pattern Recognition · Computer Science 2020-12-09 Mohammad Keshavarzi , Oladapo Afolabi , Luisa Caldas , Allen Y. Yang , Avideh Zakhor

Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we…

Machine Learning · Statistics 2020-01-10 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

Computed tomography (CT) uses X-ray measurements taken from sensors around the body to generate tomographic images of the human body. Conventional reconstruction algorithms can be used if the X-ray data are adequately sampled and of high…

Image and Video Processing · Electrical Eng. & Systems 2021-12-28 Ruiwen Xing , Thomas Humphries , Dong Si

Generative Adversarial Networks (GANs) is a novel class of deep generative models which has recently gained significant attention. GANs learns complex and high-dimensional distributions implicitly over images, audio, and data. However,…

Machine Learning · Computer Science 2023-04-06 Divya Saxena , Jiannong Cao

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Quantitative Methods · Quantitative Biology 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

In this paper, we investigate a novel problem of using generative adversarial networks in the task of 3D shape generation according to semantic attributes. Recent works map 3D shapes into 2D parameter domain, which enables training…

Computer Vision and Pattern Recognition · Computer Science 2019-05-29 Yassir Saquil , Qun-Ce Xu , Yong-Liang Yang , Peter Hall

Geometrical and appearance quality requirements set the limits of the current industrial performance in injection molding. To guarantee the product's quality, it is necessary to adjust the process settings in a closed loop. Those…

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

We present a deep generative scene modeling technique for indoor environments. Our goal is to train a generative model using a feed-forward neural network that maps a prior distribution (e.g., a normal distribution) to the distribution of…

Computer Vision and Pattern Recognition · Computer Science 2018-08-08 Zaiwei Zhang , Zhenpei Yang , Chongyang Ma , Linjie Luo , Alexander Huth , Etienne Vouga , Qixing Huang

In recent years, the use of Generative Adversarial Networks (GANs) has become very popular in generative image modeling. While style-based GAN architectures yield state-of-the-art results in high-fidelity image synthesis, computationally,…

Computer Vision and Pattern Recognition · Computer Science 2021-09-13 Sergei Belousov

Microstructure reconstruction serves as a crucial foundation for establishing Process-Structure-Property (PSP) relationship in material design. Confronting the limitations of variational autoencoder and generative adversarial network within…

Computational Engineering, Finance, and Science · Computer Science 2023-11-30 Xianrui Lyu , Xiaodan Ren

3D LiDAR sensors are indispensable for the robust vision of autonomous mobile robots. However, deploying LiDAR-based perception algorithms often fails due to a domain gap from the training environment, such as inconsistent angular…

Computer Vision and Pattern Recognition · Computer Science 2022-10-24 Kazuto Nakashima , Yumi Iwashita , Ryo Kurazume

Heterogeneous porous materials play a crucial role in various engineering systems. Microstructure characterization and reconstruction provide effective means for modeling these materials, which are critical for conducting physical property…

Computational Physics · Physics 2025-11-19 Zhenchuan Ma , Qizhi Teng , Pengcheng Yan , Lindong Li , Kirill M. Gerke , Marina V. Karsanina , Xiaohai He

Compressive sensing magnetic resonance imaging (CS-MRI) accelerates the acquisition of MR images by breaking the Nyquist sampling limit. In this work, a novel generative adversarial network (GAN) based framework for CS-MRI reconstruction is…

Image and Video Processing · Electrical Eng. & Systems 2020-04-28 Puneesh Deora , Bhavya Vasudeva , Saumik Bhattacharya , Pyari Mohan Pradhan

With the effective application of deep learning in computer vision, breakthroughs have been made in the research of super-resolution images reconstruction. However, many researches have pointed out that the insufficiency of the neural…

Image and Video Processing · Electrical Eng. & Systems 2021-06-11 Yibo Guo , Haidi Wang , Yiming Fan , Shunyao Li , Mingliang Xu

The synthesis of a metasurface exhibiting a specific set of desired scattering properties is a time-consuming and resource-demanding process, which conventionally relies on many cycles of full-wave simulations. It requires an experienced…

Signal Processing · Electrical Eng. & Systems 2021-09-15 Parinaz Naseri , Sean V. Hum

Thin films are ubiquitous in modern technology and highly useful in materials discovery and design. For achieving optimal extrinsic properties their microstructure needs to be controlled in a multi-parameter space, which usually requires a…

Applied Physics · Physics 2020-03-31 Lars Banko , Yury Lysogorskiy , Dario Grochla , Dennis Naujoks , Ralf Drautz , Alfred Ludwig
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