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The reconstruction of 3D microstructures from 2D slices is considered to hold significant value in predicting the spatial structure and physical properties of materials.The dimensional extension from 2D to 3D is viewed as a highly…

Space exploration has always been a source of inspiration for humankind, and thanks to modern telescopes, it is now possible to observe celestial bodies far away from us. With a growing number of real and imaginary images of space available…

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the…

The recent advances in text and image synthesis show a great promise for the future of generative models in creative fields. However, a less explored area is the one of 3D model generation, with a lot of potential applications to game…

We propose a number of new algorithms for learning deep energy models and demonstrate their properties. We show that our SteinCD performs well in term of test likelihood, while SteinGAN performs well in terms of generating realistic looking…

GAN-generated deepfakes as a genre of digital images are gaining ground as both catalysts of artistic expression and malicious forms of deception, therefore demanding systems to enforce and accredit their ethical use. Existing techniques…

Recent advances in video manipulation techniques have made the generation of fake videos more accessible than ever before. Manipulated videos can fuel disinformation and reduce trust in media. Therefore detection of fake videos has garnered…

Crystal structure design is important for the discovery of new highly functional materials because crystal structure strongly influences material properties. Crystal structures are composed of space-filling polyhedra, which affect material…

Graph Neural Networks have rapidly advanced in materials science and chemistry,with their performance critically dependent on comprehensive representations of crystal or molecular structures across five dimensions: elemental information,…

Disordered metamaterials are promising for programming physical properties across diverse applications, yet their inverse design remains challenging due to the non-intuitive structure-property relationships and large design spaces. Recent…

Generative Adversarial Networks (GANs) have made great progress in synthesizing realistic images in recent years. However, they are often trained on image datasets with either too few samples or too many classes belonging to different data…

3D data that contains rich geometry information of objects and scenes is valuable for understanding 3D physical world. With the recent emergence of large-scale 3D datasets, it becomes increasingly crucial to have a powerful 3D generative…

We present a variety of new architectural features and training procedures that we apply to the generative adversarial networks (GANs) framework. We focus on two applications of GANs: semi-supervised learning, and the generation of images…

Historically, materials informatics has relied on human-designed descriptors of materials structures. In recent years, graph neural networks (GNNs) have been proposed for learning representations of crystal structures from data end-to-end…

Generative Adversarial Networks (GANs) are machine learning methods that are used in many important and novel applications. For example, in imaging science, GANs are effectively utilized in generating image datasets, photographs of human…

In generative learning, models are trained to produce new samples that follow the distribution of the target data. These models were historically difficult to train, until proposals such as Generative Adversarial Networks (GANs) emerged,…

We propose Graphical Generative Adversarial Networks (Graphical-GAN) to model structured data. Graphical-GAN conjoins the power of Bayesian networks on compactly representing the dependency structures among random variables and that of…

Generative adversarial networks (GAN) are a class of powerful machine learning techniques, where both a generative and discriminative model are trained simultaneously. GANs have been used, for example, to successfully generate "deep fake"…

The use of accurate scanning transmission electron microscopy (STEM) image simulation methods require large computation times that can make their use infeasible for the simulation of many images. Other simulation methods based on linear…

The advent of Generative Adversarial Networks (GANs) has brought about completely novel ways of transforming and manipulating pixels in digital images. GAN based techniques such as Image-to-Image translations, DeepFakes, and other automated…