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Generating synthetic cryogenic electron microscopy 3D density maps from molecular structures has potential important applications in structural biology. Yet existing simulation-based methods cannot mimic all the complex features present in…

Machine Learning · Computer Science 2025-03-04 Chenwei Zhang , Anne Condon , Khanh Dao Duc

Generative models are a class of AI models capable of creating new instances of data by learning and sampling from their statistical distributions. In recent years, these models have gained prominence in machine learning due to the…

The recent shift in Generative AI (GenAI) applications from cloud-only environments to end-user devices introduces new challenges in resource management, system efficiency, and user experience. This paper presents ConsumerBench, a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-24 Yile Gu , Rohan Kadekodi , Hoang Nguyen , Keisuke Kamahori , Yiyu Liu , Baris Kasikci

Deep generative models require large amounts of training data. This often poses a problem as the collection of datasets can be expensive and difficult, in particular datasets that are representative of the appropriate underlying…

Computer Vision and Pattern Recognition · Computer Science 2023-12-22 Anubhav Jain , Nasir Memon , Julian Togelius

Complex physical systems, from supersonic turbulence to the macroscopic structure of the universe, are governed by continuous multiscale dynamics. While modern machine learning architectures excel at mapping the high-dimensional observables…

Machine Learning · Computer Science 2026-05-04 Mengke Zhao , Guang-Xing Li , Duo Xu , Keping Qiu

Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large…

Materials Science · Physics 2025-02-26 Yun Hao , Che Fan , Beilin Ye , Wenhao Lu , Zhen Lu , Peilin Zhao , Zhifeng Gao , Qingyao Wu , Yanhui Liu , Tongqi Wen

For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to…

The goal of graph representation learning is to embed each vertex in a graph into a low-dimensional vector space. Existing graph representation learning methods can be classified into two categories: generative models that learn the…

Machine Learning · Computer Science 2017-11-23 Hongwei Wang , Jia Wang , Jialin Wang , Miao Zhao , Weinan Zhang , Fuzheng Zhang , Xing Xie , Minyi Guo

The majority of data-driven wireless research leans heavily on discriminative AI (DAI) that requires vast real-world datasets. Unlike the DAI, Generative AI (GenAI) pertains to generative models (GMs) capable of discerning the underlying…

Networking and Internet Architecture · Computer Science 2024-03-01 Abdulkadir Celik , Ahmed M. Eltawil

Stochastic network modeling is often limited by high computational costs to generate a large number of networks enough for meaningful statistical evaluation. In this study, Deep Convolutional Generative Adversarial Networks (DCGANs) were…

Geophysics · Physics 2020-06-25 Sung Eun Kim , Yongwon Seo , Junshik Hwang , Hongkyu Yoon , Jonghyun Lee

In biomedical image analysis, the applicability of deep learning methods is directly impacted by the quantity of image data available. This is due to deep learning models requiring large image datasets to provide high-level performance.…

Machine Learning · Computer Science 2023-08-14 Muhammad Muneeb Saad , Ruairi O'Reilly , Mubashir Husain Rehmani

Metamaterials are emerging as a new paradigmatic material system to render unprecedented and tailorable properties for a wide variety of engineering applications. However, the inverse design of metamaterial and its multiscale system is…

Computational Engineering, Finance, and Science · Computer Science 2020-09-17 Liwei Wang , Yu-Chin Chan , Faez Ahmed , Zhao Liu , Ping Zhu , Wei Chen

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Unified multimodal models have recently demonstrated strong generative capabilities, yet whether and when generation improves understanding remains unclear. Existing benchmarks lack a systematic exploration of the specific tasks where…

Computer Vision and Pattern Recognition · Computer Science 2026-03-04 Zimo Wen , Boxiu Li , Wanbo Zhang , Junxiang Lei , Xiaoyu Chen , Yijia Fan , Qi Zhang , Yujiang Wang , Lili Qiu , Bo Li , Ziwei Liu , Caihua Shan , Yifan Yang , Yifei Shen

Nanomaterials exhibit distinctive properties governed by parameters such as size, shape, and surface characteristics, which critically influence their applications and interactions across technological, biological, and environmental…

Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…

Artificial Intelligence · Computer Science 2026-04-30 Mahule Roy

Effective connectivity can describe the causal patterns among brain regions. These patterns have the potential to reveal the pathological mechanism and promote early diagnosis and effective drug development for cognitive disease. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Qiankun Zuo , Hao Tian , Chi-Man Pun , Hongfei Wang , Yudong Zhang , Jin Hong

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

Magnetic resonance image (MRI) reconstruction is a severely ill-posed linear inverse task demanding time and resource intensive computations that can substantially trade off {\it accuracy} for {\it speed} in real-time imaging. In addition,…

Computer Vision and Pattern Recognition · Computer Science 2017-06-02 Morteza Mardani , Enhao Gong , Joseph Y. Cheng , Shreyas Vasanawala , Greg Zaharchuk , Marcus Alley , Neil Thakur , Song Han , William Dally , John M. Pauly , Lei Xing

Recent advances in generative artificial intelligence (AI) technologies have been significantly driven by models such as generative adversarial networks (GANs), variational autoencoders (VAEs), and denoising diffusion probabilistic models…

Machine Learning · Computer Science 2024-10-24 Chengyuan Li , Tianyu Zhang , Xusheng Du , Ye Zhang , Haoran Xie