English
Related papers

Related papers: Self-Supervised Generative Models for Crystal Stru…

200 papers

We present a novel self-supervised learning approach for conditional generative adversarial networks (GANs) under a semi-supervised setting. Unlike prior self-supervised approaches which often involve geometric augmentations on the image…

Computer Vision and Pattern Recognition · Computer Science 2020-10-12 Jiaze Sun , Binod Bhattarai , Tae-Kyun Kim

While recent deep monocular depth estimation approaches based on supervised regression have achieved remarkable performance, costly ground truth annotations are required during training. To cope with this issue, in this paper we present a…

Computer Vision and Pattern Recognition · Computer Science 2018-07-31 Andrea Pilzer , Dan Xu , Mihai Marian Puscas , Elisa Ricci , Nicu Sebe

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Materials Science · Physics 2025-02-25 Zhuoyuan Li , Siyu Liu , Beilin Ye , David J. Srolovitz , Tongqi Wen

Deep learning-based generative models have emerged as powerful tools for modeling complex data distributions and generating high-fidelity samples, offering a transformative approach to efficiently explore the configuration space of…

Materials Science · Physics 2025-11-12 Xiaoshan Luo , Zhenyu Wang , Qingchang Wang , Jian Lv , Lei Wang , Yanchao Wang , Yanming Ma

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Materials Science · Physics 2021-09-28 Sadman Sadeed Omee , Steph-Yves Louis , Nihang Fu , Lai Wei , Sourin Dey , Rongzhi Dong , Qinyang Li , Jianjun Hu

Generative adversarial networks (GANs) are deep neural networks that allow us to sample from an arbitrary probability distribution without explicitly estimating the distribution. There is a generator that takes a latent vector as input and…

Machine Learning · Computer Science 2021-06-22 Alper Ahmetoğlu , Ethem Alpaydın

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit…

Machine Learning · Computer Science 2020-06-30 Yabo Dan , Yong Zhao , Xiang Li , Shaobo Li , Ming Hu , Jianjun Hu

Generative adversarial networks (GAN) have been effective for learning generative models for real-world data. However, existing GANs (GAN and its variants) tend to suffer from training problems such as instability and mode collapse. In this…

Machine Learning · Computer Science 2018-03-05 Chaoyue Wang , Chang Xu , Xin Yao , Dacheng Tao

The choice of parameters, and the design of the network architecture are important factors affecting the performance of deep neural networks. However, there has not been much work on developing an established and systematic way of building…

Neural and Evolutionary Computing · Computer Science 2018-05-25 Burak Kakillioglu , Yantao Lu , Senem Velipasalar

Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of…

Machine Learning · Computer Science 2022-06-20 Jeremiah Birrell , Markos A. Katsoulakis , Luc Rey-Bellet , Wei Zhu

While Generative Adversarial Networks (GANs) achieve spectacular results on unstructured data like images, there is still a gap on tabular data, data for which state of the art supervised learning still favours to a large extent decision…

Machine Learning · Computer Science 2022-02-14 Richard Nock , Mathieu Guillame-Bert

Recent work introduced progressive network growing as a promising way to ease the training for large GANs, but the model design and architecture-growing strategy still remain under-explored and needs manual design for different image data.…

Computer Vision and Pattern Recognition · Computer Science 2021-06-17 Lanlan Liu , Yuting Zhang , Jia Deng , Stefano Soatto

In recent times, many of the breakthroughs in various vision-related tasks have revolved around improving learning of deep models; these methods have ranged from network architectural improvements such as Residual Networks, to various forms…

Machine Learning · Statistics 2018-05-15 Yan Zuo , Gil Avraham , Tom Drummond

Semi-supervised learning has been gaining attention as it allows for performing image analysis tasks such as classification with limited labeled data. Some popular algorithms using Generative Adversarial Networks (GANs) for semi-supervised…

Machine Learning · Computer Science 2021-06-23 Ayaan Haque

In recent years, image classification, as a core task in computer vision, relies on high-quality labelled data, which restricts the wide application of deep learning models in practical scenarios. To alleviate the problem of insufficient…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Jiyu Hu , Haijiang Zeng , Zhen Tian

Generative networks are fundamentally different in their aim and methods compared to CNNs for classification, segmentation, or object detection. They have initially not been meant to be an image analysis tool, but to produce naturally…

Computer Vision and Pattern Recognition · Computer Science 2022-07-11 Markus Wenzel

Auto-encoding generative adversarial networks (GANs) combine the standard GAN algorithm, which discriminates between real and model-generated data, with a reconstruction loss given by an auto-encoder. Such models aim to prevent mode…

Machine Learning · Statistics 2017-10-24 Mihaela Rosca , Balaji Lakshminarayanan , David Warde-Farley , Shakir Mohamed

Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different…

Materials Science · Physics 2024-05-15 Armand Barbot , Riccardo Gatti

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this…

Machine Learning · Computer Science 2025-08-15 Emanuele Sansone , Robin Manhaeve

Recently, transformation-based self-supervised learning has been applied to generative adversarial networks (GANs) to mitigate catastrophic forgetting in the discriminator by introducing a stationary learning environment. However, the…

Machine Learning · Computer Science 2022-01-19 Liang Hou , Huawei Shen , Qi Cao , Xueqi Cheng