Generative Adversarial Networks (GANs) are deep learning models that learn and generate new samples similar to existing ones. Traditionally, GANs are trained in centralized data centers, raising data privacy concerns due to the need for clients to upload their data. To address this, Federated Learning (FL) integrates with GANs, allowing collaborative training without sharing local data. However, this integration is complex because GANs involve two interdependent models—the generator and the discriminator—while FL typically handles a single model over distributed datasets. In this article, we propose a novel asynchronous FL framework for GANs, called AsyncFedGAN, designed to efficiently and distributively train both models tailored for molecule generation. AsyncFedGAN addresses the challenges of training interactive models, resolves the straggler issue in synchronous FL, reduces model staleness in asynchronous FL, and lowers client energy consumption. Our extensive simulations for molecular discovery show that AsyncFedGAN achieves convergence with proper settings, outperforms baseline methods, and balances model performance with client energy usage.

Recent advances in deep learning have accelerated its use in various applications, such as cellular image analysis and molecular discovery. In molecular discovery, a generative adversarial network (GAN), which comprises a discriminator to distinguish generated molecules from existing molecules and a generator to generate new molecules, is one of the premier technologies due to its ability to learn from a large molecular data set efficiently and generate novel molecules that preserve similar properties. However, different pharmaceutical companies may be unwilling or unable to share their local data sets due to the geo-distributed and sensitive nature of molecular data sets, making it impossible to train GANs in a centralized manner. In this paper, we propose aGraphconvolutional network inGenerativeAdversarialNetworks viaFederated learning (GraphGANFed) framework, which integrates graph convolutional neural Network (GCN), GAN, and federated learning (FL) as a whole system to generate novel molecules without sharing local data sets. In GraphGANFed, the discriminator is implemented as a GCN to better capture features from molecules represented as molecular graphs, and FL is used to train both the discriminator and generator in a distributive manner to preserve data privacy. Extensive simulations are conducted based on the three benchmark data sets to demonstrate the feasibility and effectiveness of GraphGANFed. The molecules generated by GraphGANFed can achieve high novelty$(\approx 100 )$and diversity$(\gt 0.9)$. The simulation results also indicate that 1) a lower complexity discriminator model can better avoid mode collapse for a smaller data set, 2) there is a tradeoff among different evaluation metrics, and 3) having the right dropout ratio of the generator and discriminator can avoid mode collapse.

Advanced Air Mobility (AAM) is envisioned to bring a new mode of air transportation with promising benefits to the society, at large. AAM services such as air taxis and air ambulances are expected to bridge the digital divide between urban and rural/tribal regions. For AAM services to be deployed at large-scale, there are several technical challenges that need to be addressed. Reliable communications to support autonomous airspace operations is one such challenge. This paper presents a comprehensive architecture for ground-based communication support for AAM vehicles. The architecture includes: (1) air corridor design, (2) unit air cell that serves as a building block for air corridor, and (3) novel antenna designs for the base station and the AAM vehicle. Detailed analysis is presented for these architectural elements to demonstrate their viability for practical implementation.

Although Transformer-based deep learning models have been widely used in many natural language processing (NLP) tasks as well as computer vision, they suffer from gigantic model size and long latency. Network pruning can reduce the computational cost and model size. However, existing works mainly focus on irregular(sparse) pruning, which often causes irregular computations and extra indices per remained weight. In this work, we propose a Tensor-core inspired hierarchical model compression method to push the performance limit on modern GPUs. We present two modes of the two-step process. In the first mode, we use the Tensor-core aware block-based weight pruning method to exploit model sparsity in a coarse-grained manner and then use low-rank [33] decomposition to further reduce the weight storage in a fine-grained manner.In the second mode, we first use irregular pruning to achieve a highly sparse model and then apply the Tensor-core aware weight constraint on the sparse model to decompose the sparse matrix to several smaller but Tensor-core friendly sub-matrices. Experiments on Transformer, BERTBASE models show the proposed method outperforms the state-of-the-art.

Recently, Graph Neural Networks (GNNs) have exhibited high efficiency in several graph-based machine learning tasks. Compared with the neural networks for computer vision or speech tasks (e.g., Convolutional Neural Networks), GNNs have much higher requirements on communication due to the complicated graph structures; however, when applying GNNs for real-world applications, say in recommender systems (e.g. Uber Eats), it commonly has the real-time requirements. To deal with the tradeoff between the complicated architecture and the high-demand timing performance, both GNN architecture and hardware accelerator need to be optimized. Network-on-Chip (NoC), derived for efficiently managing the high-volume of communications, naturally becomes one of the top candidates to accelerate GNNs. However, there is a missing link between the optimize of GNN architecture and the NoC design.

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.