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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…

定量方法 · 定量生物学 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

Generative adversarial networks (GANs) has gained tremendous popularity lately due to an ability to reinforce quality of its predictive model with generated objects and the quality of the generative model with and supervised feedback. GANs…

计算机视觉与模式识别 · 计算机科学 2017-05-31 Evgeny Zamyatin , Andrey Filchenkov

Deep learning has emerged as a key tool for designing nanophotonic structures that manipulate light at sub-wavelength scales. We investigate how to inversely design plasmonic nanostructures using conditional generative adversarial networks.…

光学 · 物理学 2026-05-21 Petter Persson , Nils Henriksson , Nicolò Maccaferri

As an entirely-new paradigm to design the communication systems, deep learning (DL), an approach that the machine learns the desired wireless function, has received much attention recently. In order to fully realize the benefit of DL-aided…

信息论 · 计算机科学 2024-05-14 Jinhong Kim , Yongjun Ahn , Byonghyo Shim

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

软凝聚态物质 · 物理学 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee

Digital Surface Model generation from satellite imagery is a difficult task that has been largely overlooked by the deep learning community. Stereo reconstruction techniques developed for terrestrial systems including self driving cars do…

计算机视觉与模式识别 · 计算机科学 2018-12-13 Wayne Treible , Scott Sorensen , Andrew D. Gilliam , Chandra Kambhamettu , Joseph L. Mundy

Compared to traditional methods, Deep Learning (DL) becomes a key technology for computer vision tasks. Synthetic data generation is an interesting use case for DL, especially in the field of medical imaging such as Magnetic Resonance…

计算机视觉与模式识别 · 计算机科学 2025-11-04 Md Sumon Ali , Muzammil Behzad

This paper presents the first comprehensive literature review of deep learning (DL) applications in additive manufacturing (AM). It addresses the need for a thorough analysis in this rapidly growing yet scattered field, aiming to bring…

机器学习 · 计算机科学 2024-12-25 Amirul Islam Saimon , Emmanuel Yangue , Xiaowei Yue , Zhenyu James Kong , Chenang Liu

With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to…

材料科学 · 物理学 2022-07-05 Houchen Zuo , Yongquan Jiang , Yan Yang , Baoying Liu , Jie Hu

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

机器学习 · 计算机科学 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

Microstructural materials design is one of the most important applications of inverse modeling in materials science. Generally speaking, there are two broad modeling paradigms in scientific applications: forward and inverse. While the…

机器学习 · 计算机科学 2021-01-27 Zijiang Yang , Dipendra Jha , Arindam Paul , Wei-keng Liao , Alok Choudhary , Ankit Agrawal

The process of design and discovery of new materials can be significantly expedited and simplified if we can learn effectively from available data. Deep learning (DL) approaches have recently received a lot of interest for their ability to…

Deep learning-based image reconstruction methods have achieved promising results across multiple MRI applications. However, most approaches require large-scale fully-sampled ground truth data for supervised training. Acquiring fully-sampled…

图像与视频处理 · 电气工程与系统科学 2020-09-01 Elizabeth K. Cole , John M. Pauly , Shreyas S. Vasanawala , Frank Ong

The simulation of geological facies in an unobservable volume is essential in various geoscience applications. Given the complexity of the problem, deep generative learning is a promising approach to overcome the limitations of traditional…

地球物理 · 物理学 2024-03-05 Ferdinand Bhavsar , Nicolas Desassis , Fabien Ors , Thomas Romary

Predicting protein secondary structure is a fundamental problem in protein structure prediction. Here we present a new supervised generative stochastic network (GSN) based method to predict local secondary structure with deep hierarchical…

定量方法 · 定量生物学 2014-03-07 Jian Zhou , Olga G. Troyanskaya

Automatic mesh-based shape generation is of great interest across a wide range of disciplines, from industrial design to gaming, computer graphics and various other forms of digital art. While most traditional methods focus on primitive…

图形学 · 计算机科学 2017-09-25 Chiyu "Max" Jiang , Philip Marcus

Deep learning is having a tremendous impact in many areas of computer science and engineering. Motivated by this success, deep neural networks are attracting an increasing attention in many other disciplines, including physical sciences. In…

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

机器学习 · 计算机科学 2025-11-11 Hyunsoo Park , Aron Walsh

Predicting physical response of an artificially structured material is of particular interest for scientific and engineering applications. Here we use deep learning to predict optical response of artificially engineered nanophotonic…