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Tailoring the functional properties of advanced organic/inorganic heterogeonous devices to their intended technological applications requires knowledge and control of the microscopic structure inside the device. Atomistic quantum mechanical…

材料科学 · 物理学 2019-03-13 Milica Todorović , Michael U. Gutmann , Jukka Corander , Patrick Rinke

Interfaces play critical roles in materials, and are usually both structurally and compositionally complex microstructural features. The precise characterization of their nature in three-dimensions at the atomic-scale is one of the grand…

Obtaining microscopic structure-property relationships for grain boundaries are challenging because of the complex atomic structures that underlie their behavior. This has led to recent efforts to obtain these relationships with machine…

The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that…

材料科学 · 物理学 2018-02-21 Qiang Zhu , Amit Samanta , Bingxi Li , Robert E. Rudd , Timofey Frolov

Singlet fission has emerged as one of the most exciting phenomena known to improve the efficiencies of different types of solar cells and has found uses in diverse optoelectronic applications. The range of available singlet fission…

Bayesian network structure learning algorithms with limited data are being used in domains such as systems biology and neuroscience to gain insight into the underlying processes that produce observed data. Learning reliable networks from…

机器学习 · 统计学 2013-07-10 Diane Oyen , Terran Lane

The massive growth in the utilization of edge AI has made the applications of machine learning models ubiquitous in different domains. Despite the computation and communication efficiency of these systems, due to limited computation…

分布式、并行与集群计算 · 计算机科学 2025-11-18 Mohammad Mahdi Kamani , Zhongwei Cheng , Lin Chen

Machine learning enables powerful cosmological inference but typically requires many high-fidelity simulations covering many cosmological models. Transfer learning offers a way to reduce the simulation cost by reusing knowledge across…

宇宙学与河外天体物理 · 物理学 2025-10-23 Veena Krishnaraj , Adrian E. Bayer , Christian Kragh Jespersen , Peter Melchior

In this work, we employ neural architecture search (NAS) to enhance the efficiency of deploying diverse machine learning (ML) tasks on in-memory computing (IMC) architectures. Initially, we design three fundamental components inspired by…

机器学习 · 计算机科学 2024-06-12 Md Hasibul Amin , Mohammadreza Mohammadi , Ramtin Zand

In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As…

材料科学 · 物理学 2024-12-11 Dario Massa , Grzegorz Kaszuba , Stefanos Papanikolaou , Piotr Sankowski

Transfer Learning enables Convolutional Neural Networks (CNN) to acquire knowledge from a source domain and transfer it to a target domain, where collecting large-scale annotated examples is time-consuming and expensive. Conventionally,…

计算机视觉与模式识别 · 计算机科学 2024-01-25 S. H. Shabbeer Basha , Debapriya Tula , Sravan Kumar Vinakota , Shiv Ram Dubey

Complex natural or engineered systems comprise multiple characteristic scales, multiple spatiotemporal domains, and even multiple physical closure laws. To address such challenges, we introduce an interface learning paradigm and put forth a…

计算物理 · 物理学 2020-11-18 Shady E. Ahmed , Omer San , Kursat Kara , Rami Younis , Adil Rasheed

Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine. In the past decade, the advent of machine learning…

化学物理 · 物理学 2022-08-23 Sajjad Heydari , Stefano Raniolo , Lorenzo Livi , Vittorio Limongelli

Transfer learning can boost the performance on the targettask by leveraging the knowledge of the source domain. Recent worksin neural architecture search (NAS), especially one-shot NAS, can aidtransfer learning by establishing sufficient…

计算机视觉与模式识别 · 计算机科学 2021-05-20 Ming Sun , Haoxuan Dou , Junjie Yan

Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. However, these systems often exhibit complex surface…

材料科学 · 物理学 2025-07-08 Lukas Hörmann , Wojciech G. Stark , Reinhard J. Maurer

Transfer learning (TL) has been widely used in motor imagery (MI) based brain-computer interfaces (BCIs) to reduce the calibration effort for a new subject, and demonstrated promising performance. While a closed-loop MI-based BCI system,…

信号处理 · 电气工程与系统科学 2023-05-04 Dongrui Wu , Xue Jiang , Ruimin Peng , Wanzeng Kong , Jian Huang , Zhigang Zeng

We refine the OrbNet model to accurately predict energy, forces, and other response properties for molecules using a graph neural-network architecture based on features from low-cost approximated quantum operators in the symmetry-adapted…

Structured sparsity has emerged as a popular model pruning technique, widely adopted in various architectures, including CNNs, Transformer models, and especially large language models (LLMs) in recent years. A promising direction to further…

机器学习 · 计算机科学 2026-02-02 Zekai Li , Ji Liu , Guanchen Li , Yixing Xu , Ziqiong Liu , Xuanwu Yin , Dong Li , Emad Barsoum

Machine learning (ML) accelerates the exploration of material properties and their links to the structure of the underlying molecules. In previous work [J. Shi, M. J. Quevillon, P. H. A. Valen\c{c}a, and J. K. Whitmer, \textit{ACS Appl.…

软凝聚态物质 · 物理学 2023-01-06 Jiale Shi , Fahed Albreiki , Yamil J. Colón , Samanvaya Srivastava , Jonathan K. Whitmer

Cross-layer resource allocation over mobile edge computing (MEC)-aided cell-free networks can sufficiently exploit the transmitting and computing resources to promote the data rate. However, the technical bottlenecks of traditional methods…

机器学习 · 计算机科学 2024-12-24 Chong Zheng , Shiwen He , Yongming Huang , Tony Q. S. Quek
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