CHEM-PHAug 5, 2022
Graph neural networks for materials science and chemistryPatrick 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.
82.3ITMay 26
Reliability-Constrained Blind Beam Alignment for Backscatter-MIMO mounted Target in Cluttered Multipath ChannelsXuehui Dong, Kai Wan, Gui Zhou et al.
Practical ISAC is constrained by static clutter and NLoS multipath, which obscure target-coupled echoes and induce spurious peaks for beam alignment. Existing receiver-side methods largely model targets as passive scatterers, limiting the structural separability of target echoes from the environment. This paper establishes a structural correspondence between these limitations and target-side Backscatter-MIMO responses: reflection modulation enables waveform-domain separation from unmodulated clutter, while retro-directional passive beamforming concentrates the tagged echo toward the BS-facing direction and suppresses NLoS-induced false-peak locking. To operationalize this correspondence, dual-end spatial locking is required to overcome cascaded backscatter loss and provide beam-domain angular information. We propose a downlink-triggered blind dual-end alignment protocol that jointly selects the BS and Backscatter-MIMO codeword indices from the tagged echo observed at the BS, without pilots, CSI feedback, or target synchronization. We further derive a clutter-aware remodulation waveform robust to fractional timing offsets and construct adjustable-width BS/Backscatter-MIMO codebooks via quadratic phase spoiling. For reliability characterization, we derive closed-form expressions for the coherence-averaged end-to-end success probability. The analysis shows that beam narrowing is not universally beneficial: in NLoS-dominated regimes, enlarging the array aperture may degrade alignment reliability. The optimal beamwidth is instead governed by cross-phase competition between discovery and alignment, yielding a nontrivial feasible region with an analytically characterized boundary. Simulations validate the analysis and demonstrate improved reliability-gated locked-link performance under strong clutter, severe NLoS multipath, and finite coherence time.
SPMay 2, 2024
Machine Learning in Short-Reach Optical Systems: A Comprehensive SurveyChen 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.
SPApr 25, 2024
A Novel Machine Learning-based Equalizer for a Downstream 100G PAM-4 PONChen Shao, Elias Giacoumidis, Shi Li et al.
A frequency-calibrated SCINet (FC-SCINet) equalizer is proposed for down-stream 100G PON with 28.7 dB path loss. At 5 km, FC-SCINet improves the BER by 88.87% compared to FFE and a 3-layer DNN with 10.57% lower complexity.
LGMay 4, 2024
Advanced Equalization in 112 Gb/s Upstream PON Using a Novel Fourier Convolution-based NetworkChen Shao, Elias Giacoumidis, Patrick Matalla et al.
We experimentally demonstrate a novel, low-complexity Fourier Convolution-based Network (FConvNet) based equalizer for 112 Gb/s upstream PAM4-PON. At a BER of 0.005, FConvNet enhances the receiver sensitivity by 2 and 1 dB compared to a 51-tap Sato equalizer and benchmark machine learning algorithms respectively.
LGSep 6, 2025
Real-E: A Foundation Benchmark for Advancing Robust and Generalizable Electricity ForecastingChen Shao, Yue Wang, Zhenyi Zhu et al.
Energy forecasting is vital for grid reliability and operational efficiency. Although recent advances in time series forecasting have led to progress, existing benchmarks remain limited in spatial and temporal scope and lack multi-energy features. This raises concerns about their reliability and applicability in real-world deployment. To address this, we present the Real-E dataset, covering over 74 power stations across 30+ European countries over a 10-year span with rich metadata. Using Real- E, we conduct an extensive data analysis and benchmark over 20 baselines across various model types. We introduce a new metric to quantify shifts in correlation structures and show that existing methods struggle on our dataset, which exhibits more complex and non-stationary correlation dynamics. Our findings highlight key limitations of current methods and offer a strong empirical basis for building more robust forecasting models