| 1. |
- Fan, Zheyong, et al.
(author)
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GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
- 2022
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In: Journal of Chemical Physics. - : AIP Publishing. - 1089-7690 .- 0021-9606. ; 157:11
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Journal article (peer-reviewed)abstract
- We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in Fan et al. [Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package gpumd. We increase the accuracy of NEP models both by improving the radial functions in the atomic-environment descriptor using a linear combination of Chebyshev basis functions and by extending the angular descriptor with some four-body and five-body contributions as in the atomic cluster expansion approach. We also detail our efficient implementation of the NEP approach in graphics processing units as well as our workflow for the construction of NEP models and demonstrate their application in large-scale atomistic simulations. By comparing to state-of-the-art MLPs, we show that the NEP approach not only achieves above-average accuracy but also is far more computationally efficient. These results demonstrate that the gpumd package is a promising tool for solving challenging problems requiring highly accurate, large-scale atomistic simulations. To enable the construction of MLPs using a minimal training set, we propose an active-learning scheme based on the latent space of a pre-trained NEP model. Finally, we introduce three separate Python packages, viz., gpyumd, calorine, and pynep, that enable the integration of gpumd into Python workflows.
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| 2. |
- Ying, Keke, et al.
(author)
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Quasi-Synchronous Random Access for Massive MIMO-Based LEO Satellite Constellations
- 2023
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In: IEEE Journal on Selected Areas in Communications. - : Institute of Electrical and Electronics Engineers (IEEE). - 0733-8716. ; 41:6, s. 1702-1722
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Journal article (peer-reviewed)abstract
- Low earth orbit (LEO) satellite constellation-enabled communication networks are expected to be an important part of many Internet of Things (IoT) deployments due to their unique advantage of providing seamless global coverage. In this paper, we investigate the random access problem in massive multiple-input multiple-output-based LEO satellite systems, where the multi-satellite cooperative processing mechanism is considered. Specifically, at edge satellite nodes, we conceive a training sequence padded multi-carrier system to overcome the issue of imperfect synchronization, where the training sequence is utilized to detect the devices' activity and estimate their channels. Considering the inherent sparsity of terrestrial-satellite links and the sporadic traffic feature of IoT terminals, we utilize the orthogonal approximate message passing-multiple measurement vector algorithm to estimate the delay coefficients and user terminal activity. To further utilize the structure of the receive array, a two-dimensional estimation of signal parameters via rotational invariance technique is performed for enhancing channel estimation. Finally, at the central server node, we propose a majority voting scheme to enhance activity detection by aggregating backhaul information from multiple satellites. Moreover, multi-satellite cooperative linear data detection and multi-satellite cooperative Bayesian dequantization data detection are proposed to cope with perfect and quantized backhaul, respectively. Simulation results verify the effectiveness of our proposed schemes in terms of channel estimation, activity detection, and data detection for quasi-synchronous random access in satellite systems.
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| 3. |
- Zhou, Xingyu, et al.
(author)
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Active Terminal Identification, Channel Estimation, and Signal Detection for Grant-Free NOMA-OTFS in LEO Satellite Internet-of-Things
- 2023
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In: IEEE Transactions on Wireless Communications. - : Institute of Electrical and Electronics Engineers (IEEE). - 1536-1276. ; 22:4, s. 2847-2866
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Journal article (peer-reviewed)abstract
- This paper investigates the massive connectivity of low Earth orbit (LEO) satellite-based Internet-of-Things (IoT) for seamless global coverage. We propose to integrate the grant-free non-orthogonal multiple access (GF-NOMA) paradigm with the emerging orthogonal time frequency space (OTFS) modulation to accommodate the massive IoT access, and mitigate the long round-trip latency and severe Doppler effect of terrestrial-satellite links (TSLs). On this basis, we put forward a two-stage successive active terminal identification (ATI) and channel estimation (CE) scheme as well as a low-complexity multi-user signal detection (SD) method. Specifically, at the first stage, the proposed training sequence aided OTFS (TS-OTFS) data frame structure facilitates the joint ATI and coarse CE, whereby both the traffic sparsity of terrestrial IoT terminals and the sparse channel impulse response are leveraged for enhanced performance. Moreover, based on the single Doppler shift property for each TSL and sparsity of delay-Doppler domain channel, we develop a parametric approach to further refine the CE performance. Finally, a least square based parallel time domain SD method is developed to detect the OTFS signals with relatively low complexity. Simulation results demonstrate the superiority of the proposed methods over the state-of-the-art solutions in terms of ATI, CE, and SD performance confronted with the long round-trip latency and severe Doppler effect.
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