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Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

Node representation learning for directed graphs is critically important to facilitate many graph mining tasks. To capture the directed edges between nodes, existing methods mostly learn two embedding vectors for each node, source vector…

We show that pre-trained Generative Adversarial Networks (GANs) such as StyleGAN and BigGAN can be used as a latent bank to improve the performance of image super-resolution. While most existing perceptual-oriented approaches attempt to…

Generative adversarial networks (GANs) are capable of producing high quality image samples. However, unlike variational autoencoders (VAEs), GANs lack encoders that provide the inverse mapping for the generators, i.e., encode images back to…

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…

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…

We propose a generative Causal Adversarial Network (CAN) for learning and sampling from conditional and interventional distributions. In contrast to the existing CausalGAN which requires the causal graph to be given, our proposed framework…

Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we…

We propose a new algorithm for training generative adversarial networks that jointly learns latent codes for both identities (e.g. individual humans) and observations (e.g. specific photographs). By fixing the identity portion of the latent…

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Quantum computing has the potential to offer significant advantages over classical computing, making it a promising avenue for exploring alternative methods in High Energy Physics (HEP) simulations. This work presents the implementation of…

Ultrafast electron diffraction/microscopy technique enables us to investigate the nonequilibrium dynamics of crystal structures in the femtosecond-nanosecond time domain. However, the electron diffraction intensities are in general…

Generative adversarial networks (GANs)successfully generate high quality data by learning amapping from a latent vector to the data. Various studies assert that the latent space of a GAN is semanticallymeaningful and can be utilized for…

Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…

This work studies training generative adversarial networks under the federated learning setting. Generative adversarial networks (GANs) have achieved advancement in various real-world applications, such as image editing, style transfer,…

Serial femtosecond crystallography at X-ray free electron laser facilities opens a new era for the determination of crystal structure. However, the data processing of those experiments is facing unprecedented challenge, because the total…

We introduce a novel method for studying systematic trends in nuclear reaction data using generative adversarial networks. Libraries of nuclear cross section evaluations exhibit intricate systematic trends across the nuclear landscape, and…

Our main motivation is to propose an efficient approach to generate novel multi-element stable chemical compounds that can be used in real world applications. This task can be formulated as a combinatorial problem, and it takes many hours…

Simulation is one of the key components in high energy physics. Historically it relies on the Monte Carlo methods which require a tremendous amount of computation resources. These methods may have difficulties with the expected High…

We introduce the "Energy-based Generative Adversarial Network" model (EBGAN) which views the discriminator as an energy function that attributes low energies to the regions near the data manifold and higher energies to other regions.…