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Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…
Deep learning based generative models such as deepfake have been able to generate amazing images and videos. However, these models may need significant transformation when applied to generate crystal materials structures in which the…
The constant demand for new functional materials calls for efficient strategies to accelerate the materials design and discovery. In addressing this challenge, machine learning generative models can offer promising opportunities since they…
Drawing inspiration from the achievements of natural language processing, we adopt self-supervised learning and utilize an equivariant graph neural network to develop a unified platform designed for training generative models capable of…
Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…
Recently, deep neural networks have significant progress and successful application in various fields, but they are found vulnerable to attack instances, e.g., adversarial examples. State-of-art attack methods can generate attack images by…
Reflection High-Energy Electron Diffraction (RHEED) is a powerful tool to probe the surface reconstruction during MBE growth. However, raw RHEED patterns are difficult to interpret, especially when the wafer is rotating. A more accessible…
Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…
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.…
Deep generative models parametrised by neural networks have recently started to provide accurate results in modelling natural images. In particular, generative adversarial networks provide an unsupervised solution to this problem. In this…
Generative models have recently received renewed attention as a result of adversarial learning. Generative adversarial networks consist of samples generation model and a discrimination model able to distinguish between genuine and synthetic…
We introduce a new attack paradigm that embeds hidden adversarial capabilities directly into diffusion models via fine-tuning, without altering their observable behavior or requiring modifications during inference. Unlike prior approaches…
Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…
We propose a framework of generative adversarial networks with multiple discriminators, which collaborate to represent a real dataset more effectively. Our approach facilitates learning a generator consistent with the underlying data…
Recently, machine learning has been introduced in the inverse design of physical devices, i.e., the automatic generation of device geometries for a desired physical response. In particular, generative adversarial networks have been proposed…
Using a large-scale, experimentally captured 3D microstructure dataset, we implement the generative adversarial network (GAN) framework to learn and generate 3D microstructures of solid oxide fuel cell electrodes. The generated…
Enabling highly-mobile millimeter wave (mmWave) systems is challenging because of the huge training overhead associated with acquiring the channel knowledge or designing the narrow beams. Current mmWave beam training and channel estimation…
Electron diffraction through a thin patterned silicon membrane can be used to create complex spatial modulations in electron distributions by varying the intensity of different reflections using parameters such as crystallographic…