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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Entangling Quantum Generative Adversarial Networks

Generative adversarial networks (GANs) are one of the most widely adopted machine learning methods for data generation. In this work, we propose a new type of architecture for quantum generative adversarial networks (an entangling quantum GAN, EQ-GAN) that overcomes limitations of previously proposed quantum GANs. Leveraging the entangling power of quantum circuits, the EQ-GAN converges to the Nash equilibrium by performing entangling operations between both the generator output and true quantum data. In the first multiqubit experimental demonstration of a fully quantum GAN with a provably optimal Nash equilibrium, we use the EQ-GAN on a Google Sycamore superconducting quantum processor to mitigate uncharacterized errors, and we numerically confirm successful error mitigation with simulations up to 18 qubits. Finally, we present an application of the EQ-GAN to prepare an approximate quantum random access memory and for the training of quantum neural networks via variational datasets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Enforcing constraints for interpolation and extrapolation in Generative Adversarial Networks

Generative Adversarial Networks (GANs) are becoming popular choices for unsupervised learning. At the same time there is a concerted effort in the machine learning community to expand the range of tasks in which learning can be applied as well as to utilize methods from other disciplines to accelerate learning. With this in mind, in the current work we suggest ways to enforce given constraints in the output of a GAN both for interpolation and extrapolation. The two cases need to be treated differently. For the case of interpolation, the incorporation of constraints is built into the training of the GAN. The incorporation of the constraints respects the primary game-theoretic setup of a GAN so it can be combined with existing algorithms. However, it can exacerbate the problem of instability during training that is well-known for GANs. We suggest adding small noise to the constraints as a simple remedy that has performed well in our numerical experiments. The case of extrapolation (prediction) is more involved. First, we employ a modified interpolation training process that uses noisy data but does {\it not} necessarily enforce the constraints during training. Second, the resulting modified interpolator is used for extrapolation where the constraints are enforced after each step through projection on the space of constraints.

Stinis, Panagiotis↗
DOE OSTI2020

Physics-Informed Generative Adversarial Networks for Stochastic Differential Equations

We developed a new class of physics-informed generative adversarial networks (PI-GANs) to solve forward, inverse, and mixed stochastic problems in a unified manner based on a limited number of scattered measurements. Unlike standard GANs relying solely on data for training, here we encoded into the architecture of GANs the governing physical laws in the form of stochastic differential equations (SDEs) using automatic differentiation. In particular, we applied Wasserstein GANs with gradient penalty (WGAN-GP) for its enhanced stability compared to vanilla GANs. We first tested WGAN-GP in approximating Gaussian processes of different correlation lengths based on data realizations collected from simultaneous reads at sparsely placed sensors. We obtained good approximation of the generated stochastic processes to the target ones even if there is a mismatch between the input noise dimensionality and the effective dimensionality of the target stochastic processes. We also studied the overfitting issue for both the discriminator and the generator, and we found that overfitting occurs also in the generator in addition to the discriminator as previously reported. Subsequently, we considered the solution of elliptic SDEs requiring approximations of three stochastic processes, namely the solution, the forcing, and the diffusion coefficient. Here again, we assumed data collected from simultaneous reads at a limited number of sensors for the multiple stochastic processes. Furthermore, three generators were used for the PI-GANs: two of them were feed forward deep neural networks (DNNs), while the other one was the neural network induced by the SDE. For the case where we have one group of data, we employed one feed forward DNN as the discriminator, while for the case of multiple groups of data we employed multiple discriminators in PI-GANs. We solved forward, inverse, and mixed problems without changing the framework of PI-GANs, obtaining both the means and the standard deviations of the stochastic solution and the diffusion coefficient in good agreement with benchmarks. In this work, we have demonstrated the effectiveness of PI-GANs in solving SDEs for about 120 dimensions. In principle, PI-GANs could tackle very high dimensional problems given more sensor data with low-polynomial growth in computational cost.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Connectivity-informed drainage network generation using deep convolution generative adversarial networks

Abstract 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 applied to quickly reproduce drainage networks from the already generated network samples without repetitive long modeling of the stochastic network model, Gibb’s model. In particular, we developed a novel connectivity-informed method that converts the drainage network images to the directional information of flow on each node of the drainage network, and then transforms it into multiple binary layers where the connectivity constraints between nodes in the drainage network are stored. DCGANs trained with three different types of training samples were compared; (1) original drainage network images, (2) their corresponding directional information only, and (3) the connectivity-informed directional information. A comparison of generated images demonstrated that the novel connectivity-informed method outperformed the other two methods by training DCGANs more effectively and better reproducing accurate drainage networks due to its compact representation of the network complexity and connectivity. This work highlights that DCGANs can be applicable for high contrast images common in earth and material sciences where the network, fractures, and other high contrast features are important.

42 ENGINEERING↗
DOE OSTI2023

Evolutionary Architecture Search for Generative Adversarial Networks Based on Weight Sharing

Generative adversarial networks (GANs) are a powerful generative technique but frequently face challenges with training stability. Network architecture plays a significant role in determining the final output of GANs, but designing a fine architecture demands extensive domain expertise. This article aims to address this issue by searching for high-performance generator’s architectures through neural architecture search (NAS). The proposed approach, called evolutionary weight sharing GANs (EWSGAN), is based on weight sharing and comprises two steps. First, a supernet of the generator is trained using weight sharing. Second, a multiobjective evolutionary algorithm (MOEA) is employed to identify optimal subnets from the supernet. These subnets inherit weights directly from the supernet for fitness assessment. Two strategies are used to stabilize the training of the generator supernet: 1) a fair single-path sampling strategy and 2) a discarding strategy. Experimental results indicate that the architecture searched by our method achieved a new state-of-the-art among NAS–GAN methods with a Fréchet inception distance (FID) of 9.09 and an inception score (IS) of 8.99 on the CIFAR-10 dataset. Finally, it also demonstrates competitive performance on the STL-10 dataset, achieving FID of 21.89 and IS of 10.51.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

QuGAN: A Quantum State Fidelity based Generative Adversarial Network

In the recent years, Generative Adversarial Networks (GANs) have been arguably one of the largest strides forward in Deep Learning. Many papers illustrate the use of GANs to accomplish extremely impressive goals, such as text-to-image or image augmentation. Specifically, GANs have seen this success in the computer vision domain. However, GANs are not without their own set of problems. GANs are computationally expensive, sometimes computationally prohibitive, and can suffer a multitude of convergence problems. As research on classical GANs continues to push the topic further, a branch of GANs, namely Quantum GANs, has seen research interest in the past years. In this work, we intend to push this research further with an illustration of a Quantum GAN architecture that provide stable convergence of the model and is extended onto real data sets. Furthermore, unlike many other Quantum GANs out there, our model's GAN architecture runs the discriminator and the generator primarily on Quantum hardware through the use of a Quantum-based similarity metric. When compared to the very few other Quantum GAN papers, our architecture leads to significantly better results in almost all aspects.

Stein, Samuel A.↗
DOE OSTI2024

Data Efficiency Assessment of Generative Adversarial Networks for Critical Heat Flux Synthetic Data Generation

This study investigates the application of generative artificial intelligence techniques, particularly conditional generative adversarial networks (cGAN), in real-world engineering contexts, with a specific focus on synthetic data generation for critical heat flux (CHF). Utilizing a dataset comprising more than 20,000 real experimental CHF measurements, we conduct a series of experiments to examine cGAN’s behavior. These experiments encompass varying sizes of the training dataset, training cGAN on data from diverse experimental sources to generate new data on unseen experimental setups, and assessing the impact of excluding various input features on cGAN’s data generation accuracy. Our findings underscore the pronounced data dependency of cGAN for reliable performance, with decreased efficacy observed with smaller training dataset sizes. Notably, cGAN exhibits varying performance when trained on data from different experiments, with superior predictive capabilities observed for certain experiment sources compared to others. For instance, when cGAN was trained on data from Smolin et al.’s experiments or Zenkevich et al., it exhibited relatively good performance in generating the data from Becker et al., Kirillov et al., and Alekseev et al. experiments. In contrast, when trained with Alekseev et al.’s data and tasked with generating other experimental setups, cGAN showed notably poor performance. In both scenarios, cGAN’s performance was inferior compared to training on samples from all experiments concurrently. A feature importance analysis highlights the significant influence of parameters such as mass flux and heated length on accurate CHF generation, while other parameters like diameter and pressure have less impact. Inlet temperature is identified as a moderating factor by cGAN.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Simulation of Electron-Proton Scattering Events by a Feature-Augmented and Transformed Generative Adversarial Network (FAT-GAN)

We apply generative adversarial network (GAN) technology to build an event generator that simulates particle production in electron-proton scattering that is free of theoretical assumptions about underlying particle dynamics. The difficulty of efficiently training a GAN event simulator lies in learning the complicated patterns of the distributions of the particles physical properties. We develop a GAN that selects a set of transformed features from particle momenta that can be generated easily by the generator, and uses these to produce a set of augmented features that improve the sensitivity of the discriminator. The new Feature-Augmented and Transformed GAN (FAT-GAN) is able to faithfully reproduce the distribution of final state electron momenta in inclusive electron scattering, without the need for input derived from domain-based theoretical assumptions. The developed technology can play a significant role in boosting the science of existing and future accelerator facilities, such as the Electron-Ion Collider.

Alanazi, Yasir↗
DOE OSTI2023

Generative adversarial networks for scintillation signal simulation in EXO-200

Generative Adversarial Networks trained on samples of simulated or actual events have been proposed as a way of generating large simulated datasets at a reduced computational cost. In this work, a novel approach to perform the simulation of photodetector signals from the time projection chamber of the EXO-200 experiment is demonstrated. The method is based on a Wasserstein Generative Adversarial Network — a deep learning technique allowing for implicit non-parametric estimation of the population distribution for a given set of objects. Our network is trained on real calibration data using raw scintillation waveforms as input. We find that it is able to produce high-quality simulated waveforms an order of magnitude faster than the traditional simulation approach and, importantly, generalize from the training sample and discern salient high-level features of the data. In particular, the network correctly deduces position dependency of scintillation light response in the detector and correctly recognizes dead photodetector channels. Furthermore, the network output is then integrated into the EXO-200 analysis framework to show that the standard EXO-200 reconstruction routine processes the simulated waveforms to produce energy distributions comparable to that of real waveforms. Finally, the remaining discrepancies and potential ways to improve the approach further are highlighted.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Generative Adversarial Network for Synthetic Time Series Data Generation in Smart Grids

The availability of fine grained time series data is a pre-requisite for research in smart-grids. While data for transmission systems is relatively easily obtainable, issues related to data collection, security and privacy hinder the widespread public availability/accessibility of such datasets at the distribution system level. This has prevented the larger research community from effectively applying sophisticated machine learning algorithms to significantly improve the distribution-level accuracy of predictions and increase the efficiency of grid operations. Synthetic dataset generation has proven to be a promising solution for addressing data availability issues in various domains such as computer vision, natural language processing and medicine. However, its exploration in the smart grid context remains unsatisfactory. Previous works have tried to generate synthetic datasets by modeling the underlying system dynamics: an approach which is difficult, time consuming, error prone and often times infeasible in many problems. In this work, we propose a novel data-driven approach to synthetic dataset generation by utilizing deep generative adversarial networks (GAN) to learn the conditional probability distribution of essential features in the real dataset and generate samples based on the learned distribution. To evaluate our synthetically generated dataset, we measure the maximum mean discrepancy (MMD) between real and synthetic datasets as probability distributions, and show that their sampling distance converges. To further validate our synthetic dataset, we perform common smart grid tasks such as k-means clustering and short-term prediction on both datasets. Experimental results show the efficacy of our synthetic dataset approach: the real and synthetic datasets are indistinguishable by solely examining the output of these tasks.

14 SOLAR ENERGY↗
DOE OSTI2020

Conditional Generative Adversarial Networks for Solving Heat Transfer Problems

Generative Adversarial Networks (GANs) have been used as a deep learning approach to solving physics and engineering problems. Using deep learning for these problems is attractive in that reasonably accurate models can be inferred from only raw data, eliminating the need to define the exact physical equations governing a problem. We expand on previous work using GANs to generate steady-state solutions to the two-dimensional heat equation. Using a basic conditional GAN (cGAN), we generate accurate solutions for rectangular domains conditioned on four edge boundary conditions (MAE < 0.5%). For finding steady-state solutions over arbitrary two-dimensional domains (not constrained to rectangles), we use a cGAN designed for image-to-image translation. We train this GAN on various types of geometric domains (circles, squares, triangles, shapes with one circular or rectangular hole), achieving accurate results on test data made up of geometries similar to those in training (MAE < 1%). For both of these GANs, we experiment with different loss function terms, showing that a term using the gradients of solution images significantly improves the basic cGAN but not the image-to-image GAN. Lastly, we show that the image-to-image GAN performs poorly when applied to two-dimensional geometries that vary in structure from training data (MAE < 8% for shapes with multiple holes or different shaped holes). This demonstrates the cGAN's lack of generalizability. While the cGAN is an accurate and computationally efficient method when trained and tested on similarly structured data, it is a much less reliable method when applied to data that is slightly different in structure from the training data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

FL-DISCO: Federated Generative Adversarial Network for Graph-based Molecule Drug Discovery: Special Session Paper

The outbreak of the global COVID-19 pandemic emphasizes the importance of collaborative drug discovery for high effectiveness; however, due to the stringent data regulation, data privacy becomes an imminent issue needing to be addressed to enable collaborative drug discovery. In addition to the data privacy issue, the efficiency of drug discovery is another key objective since infectious diseases spread exponentially and effectively conducting drug discovery could save lives. Advanced Artificial Intelligence (AI) techniques are promising to solve these problems: (1) Federated Learning (FL) is born to keep data privacy while learning data from distributed clients; (2) graph neural network (GNN) can extract structural properties of molecules whose underlying architecture is the connected atoms; and (3) generative adversarial network (GAN) can generate novel molecules while retaining the properties learned from the training data. In this work, we make the first attempt to build a holistic collaborative and privacy-preserving FL framework, namely FL- DISCO, which integrates GAN and GNN to generate molecular graphs. Experimental results demonstrate the effectiveness of FL- DISCO on: (1) IID data for ESOL and QM9, where FL-DISCO can generate highly novel compounds with high drug-likeliness, uniqueness and LogP scores compared to the baseline; (2) non- IID data for ESOL and QM9, where FL-DISCO generates 100% novel compounds with high validity and LogP scores compared to the baseline. We also demonstrate how different fractions of clients, generator and discriminator architectures affect our evaluation scores.

Manu, Daniel↗
NASA NTRS2020

CyberGAN: Generating High-fidelity Cybersecurity Data With Generative Adversarial Networks

Machine learning for cyber defense offers the promise of detecting adversarial activity against the ground data systems managing critical space assets. A fundamental challenge facing machine learning research in cybersecurity is the lack of high-fidelity, shareable datasets for robust evaluation and testing of machine learning-based solutions. High-fidelity, real-world datasets are necessary for reliable benchmarking of nominal system behavior and malicious activity. Unfortunately, such realistic datasets of both nominal and adversarial activity are rarely shared publicly by data owners due to security and privacy concerns. Besides, the available adversarial data is sparse, which makes training models on malicious activity much harder. This situation has impeded and continues to impede the research and successful adoption of machine learning methods for cyber defense. Researchers have dealt with this problem by generating data within a low-fidelity lab environment, using classified and thus unshareable datasets, or downloading low-fidelity public datasets made available by others. We propose an innovative solution to the problem by employing machine learning methods to generate high-fidelity data. Specifically, we propose the use of Generative Adversarial Networks (GANs) to generate high-fidelity data for cybersecurity purposes. GANs have found successful image processing and natural language applications, but have not yet been investigated for cyber data generation. Our proposed approach first involves training the `discriminator' network of the GAN with a sample of real-world data consisting of malicious and nominal samples. We then use the `generator' network to generate new high-fidelity data samples consisting of an appropriate mix of malicious and nominal activity. We demonstrate applications of our architecture by generating high-fidelity cybersecurity data containing both malicious and nominal samples. We thoroughly evaluate the fidelity of our generated data using heuristics and evaluate its usefulness for machine learning applications using three different datasets. Overall, our approach results in high-fidelity, shareable datasets.

Zhang, Yuening↗
DOE OSTI2019

Conditional Generative Adversarial Networks (cGANs) for Near Real-Time Precipitation Estimation from Multispectral GOES-16 Satellite Imageries—PERSIANN-cGAN

In this paper, we present a state-of-the-art precipitation estimation framework which leverages advances in satellite remote sensing as well as Deep Learning (DL). The framework takes advantage of the improvements in spatial, spectral and temporal resolutions of the Advanced Baseline Imager (ABI) onboard the GOES-16 platform along with elevation information to improve the precipitation estimates. The procedure begins by first deriving a Rain/No Rain (R/NR) binary mask through classification of the pixels and then applying regression to estimate the amount of rainfall for rainy pixels. A Fully Convolutional Network is used as a regressor to predict precipitation estimates. The network is trained using the non-saturating conditional Generative Adversarial Network (cGAN) and Mean Squared Error (MSE) loss terms to generate results that better learn the complex distribution of precipitation in the observed data. Common verification metrics such as Probability Of Detection (POD), False Alarm Ratio (FAR), Critical Success Index (CSI), Bias, Correlation and MSE are used to evaluate the accuracy of both R/NR classification and real-valued precipitation estimates. Statistics and visualizations of the evaluation measures show improvements in the precipitation retrieval accuracy in the proposed framework compared to the baseline models trained using conventional MSE loss terms. This framework is proposed as an augmentation for PERSIANN-CCS (Precipitation Estimation from Remotely Sensed Information using Artificial Neural Network- Cloud Classification System) algorithm for estimating global precipitation.

42 ENGINEERING↗
DOE OSTI2025

Data efficiency assessment of generative adversarial networks in energy applications

This study investigates the data requirements of generative artificial intelligence (AI), particularly generative adversarial networks (GANs), for reliable data augmentation in energy applications. Generative AI, though seen as a solution to data limitations, requires substantial data to learn meaningful distributions—a challenge often overlooked. This study addresses the challenge through synthetic data generation for critical heat flux (CHF) and power grid demand, focusing on renewable and nuclear energy. Two variants of GAN employed are conditional GAN (cGAN) and Wasserstein GAN (wGAN). Our findings include the strong dependency of GAN on data size, with performance declining on smaller datasets and varying performance when generalizing to unseen experiments. Mass flux and heated length significantly influence CHF predictions. wGAN is more robust to feature exclusion, making it suitable for constrained synthetic data generation. In energy demand forecasting, wGAN performed well for solar, wind, and load predictions. Longer lookback hours and larger datasets improved predictions, especially for load power. Seasonal variations posed challenges, with wGAN achieving a relatively high error of Root Mean Squared Error (RMSE) of 0.32 for load power prediction, compared to RMSE of 0.07 under same-season conditions. Feature exclusions impacted cGAN the most, while wGAN showed greater robustness. This study concludes that, while generative AI is effective for data augmentation, it requires substantial data and careful training to generate realistic synthetic data and generalize to new experiments in engineering applications.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗