Chen Shao

Patrick Reiser, Marlen Neubert, André Eberhard et al.

Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design new materials, and to predict synthesis routes of new materials. Graph neural networks (GNNs) are one of the fastest growing classes of machine learning models. They are of particular relevance for chemistry and materials science, as they directly work on a graph or structural representation of molecules and materials and therefore have full access to all relevant information required to characterize materials. In this review article, we provide an overview of the basic principles of GNNs, widely used datasets, and state-of-the-art architectures, followed by a discussion of a wide range of recent applications of GNNs in chemistry and materials science, and concluding with a road-map for the further development and application of GNNs.

Chen Shao, Elias Giacoumidis, Syed Moktacim Billah et al.

In recent years, extensive research has been conducted to explore the utilization of machine learning algorithms in various direct-detected and self-coherent short-reach communication applications. These applications encompass a wide range of tasks, including bandwidth request prediction, signal quality monitoring, fault detection, traffic prediction, and digital signal processing (DSP)-based equalization. As a versatile approach, machine learning demonstrates the ability to address stochastic phenomena in optical systems networks where deterministic methods may fall short. However, when it comes to DSP equalization algorithms, their performance improvements are often marginal, and their complexity is prohibitively high, especially in cost-sensitive short-reach communications scenarios such as passive optical networks (PONs). They excel in capturing temporal dependencies, handling irregular or nonlinear patterns effectively, and accommodating variable time intervals. Within this extensive survey, we outline the application of machine learning techniques in short-reach communications, specifically emphasizing their utilization in high-bandwidth demanding PONs. Notably, we introduce a novel taxonomy for time-series methods employed in machine learning signal processing, providing a structured classification framework. Our taxonomy categorizes current time series methods into four distinct groups: traditional methods, Fourier convolution-based methods, transformer-based models, and time-series convolutional networks. Finally, we highlight prospective research directions within this rapidly evolving field and outline specific solutions to mitigate the complexity associated with hardware implementations. We aim to pave the way for more practical and efficient deployment of machine learning approaches in short-reach optical communication systems by addressing complexity concerns.