检索结果-内蒙古大学图书馆

SYNAPSE: An international roadmap to large brain imaging

Physics Reports 2023年第1期999卷 1-60页

作者： Stampfl, Anton P.J. Liu, Zhongdong Hu, Jun Sawada, Kei Takano, H. Kohmura, Yoshiki Ishikawa, Tetsuya Lim, Jae-Hong Je, Jung-Ho Low, Chian-Ming Teo, Alvin Tok, Eng Soon Tan, Tin Wee Ban, Kenneth Libedinsky, Camilo Tan, Francis Chee Kuan Chen, Kuan-Peng Yang, An-Cheng Chuang, Chao-Chun Chen, Nan-Yow Shih, Chi-Tin Lee, Ting-Kuo Yang, De-Nian Lai, Hsu-Chao Shuai, Hong-Han Cheng, Chang-Chieh Ching, Yu-Tai Li, Chia-Wei Charng, Ching-Che Lo, Chung-Chuan Chiang, Ann-Shyn Recur, Benoit Petibois, Cyril Cheng, Chia-Liang Chen, Hsiang-Hsin Yang, Shun-Min Hwu, Yeukuang Rojviriya, Catleya Rugmai, Supagorn Rujirawat, Saroj Margaritondo, Giorgio Australian Nuclear Science and Technology Organization Lucas Heights 2234 NSW Australia Henan university of Technology Zhengzhou China Shanghai Institute of Applied Physics Chinese Academy of Science Shanghai China RIKEN SPring-8 Center Hyogo 679-5148 Japan Pohang Accelerator Laboratory Pohang University of Science and Technology Pohang Gyeongbuk 37673 South Korea Department of Materials Science and Engineering Pohang University of Science and Technology Gyeongbuk Pohang 37673 South Korea Department of Pharmacology Department of Anaesthesia and Healthy Longevity Research Programme Yong Loo Lin School of Medicine National University of Singapore Singapore School of Chemical and Life Sciences Nanyang Polytechnic Singapore eMaGIC-Lab Department of Physics National University of Singapore Singapore National Supercomputing Center Singapore Department of Psychology The N1 Institute for Health National University of Singapore Singapore Institute of Molecular and Cell Biology A*STAR Singapore Department of Anaesthesia National University Hospital National University Health System Singapore National Center for High-Performance Computing Hsinchu Taiwan Department of Physics Tunghai University Taichung Taiwan Department of Physics National Tsing Hua University Hsinchu Taiwan Institute of Information Science Academia Sinica Taipei Taiwan Department of Computer Science National Yang Ming Chiao Tung University Hsinchu Taiwan Department of Electronics and Electrical Engineering National Yang Ming Chiao Tung University Hsinchu Taiwan Information Technology Service Center National Yang Ming Chiao Tung University Hsinchu Taiwan National Yang Ming Chiao Tung University Hsinchu Taiwan Department of Life Science National Tsing Hua University Hsinchu Taiwan Institute of Systems Neuroscience and Brain Research Center National Tsing Hua University Hsinchu Taiwan Institute of Physics Academia Sinica Taipei Taiwan Department of Physics National Dong Hwa University

Since 2020, synchrotron radiation facilities in several Asia-Pacific countries have been collaborating in a major project called “SYNAPSE” (Synchrotrons for Neuroscience: an Asia-Pacific Scientific Enterprise). They use x-ray imaging to attack in a coordinated fashion one of the major issues in modern science: the structure of animal and human brains, including neurons and connections. The objective is to develop Google-like maps also including detailed structural and functional information for selected regions of interest. The sheer mass of data needed for the objective poses huge problems for the acquisition, processing, storage and use of images. In order to complete the task within a reasonable time, the key element of the SYNAPSE strategy is the parallel and coordinated work of several facilities on the same specimens. This article reviews different aspects of the enterprise, including the foundations of synchrotron radiation, coherence and of its role in advanced imaging, electron accelerators, x-ray optics and detectors. This will provide the foundation for an extensive presentation of the different components of SYNAPSE, with an overview of results already obtained within the consortium. © 2022

关键词： Brain mapping Phase contrast Radiology Supercomputing Synchrotron X-rays

来源：评论

学校读者我要写书评

暂无评论

Enhanced light-matter interactions in dielectric nanostructures via machine-learning approach

引用

advanced Photonics 2020年第2期2卷 57-67页

作者： Lei Xu Mohsen Rahmani Yixuan Ma Daria ASmirnova Khosro Zangeneh Kamali Fu Deng Yan Kei Chiang Lujun Huang Haoyang Zhang Stephen Gould Dragomir N.Neshev Andrey E.Miroshnichenko University of New South Wales School of Engineering and Information TechnologyCanberraAustralia Nottingham Trent University School of Science&TechnologyDepartment of EngineeringAdvanced Optics and Photonics LaboratoryNottinghamUnited Kingdom Australian National University Research School of PhysicsNonlinear Physics CentreCanberraAustralia Australian National University Research School of PhysicsARC Centre of Excellence for Transformative Meta-Optical Systems(TMOS)CanberraAustralia Queensland University of Technology School of Electrical Engineering and Computer ScienceBrisbaneQueenslandAustralia Australian National University College of Engineering and Computer ScienceCanberraAustralia

A key concept underlying the specific functionalities of metasurfaces is the use of constituent components to shape the wavefront of the light on *** are versatile,novel platforms for manipulating the scattering,color,phase,or intensity of ***,one of the typical approaches for designing a metasurface is to optimize one or two variables among a vast number of fixed parameters,such as various materials’properties and coupling effects,as well as the geometrical ***,this would require multidimensional space optimization through direct numerical ***,an alternative,popular approach allows for reducing the computational cost significantly based on a deep-learning-assisted *** utilize a deep-learning approach for obtaining high-quality factor(high-Q)resonances with desired characteristics,such as linewidth,amplitude,and spectral *** exploit such high-Q resonances for enhancedlight–matter interaction in nonlinearoptical metasurfaces and optomechanical vibrations,*** demonstrate that optimized metasurfaces achieve up to 400-fold enhancement of the third-harmonic generation;at the same time,they also contribute to 100-fold enhancement of the amplitude of optomechanical *** approach can be further used to realize structures with unconventional scattering responses.

关键词： machine learning dielectric nanostructures Fano resonance third-harmonic generation optoacoustics

来源：评论

学校读者我要写书评

暂无评论

Asymmetric Heat Transfer with Linear Conductive Metamaterials

arXiv

引用

arXiv 2022年

作者： Su, Yishu Li, Ying Qi, Minghong Guenneau, Sebastien Li, Huagen Xiong, Jian Center for Composite Materials and Structures Harbin Institute of Technology Harbin150001 China Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang University Hangzhou310027 China International Joint Innovation Center Key Lab. of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang The Electromagnetics Academy of Zhejiang University Zhejiang University Haining314400 China UMI 2004 Abraham de Moivre-CNRS Imperial College London LondonSW7 2AZ United Kingdom Department of Electrical and Computer Engineering National University of Singapore Singapore117583 Singapore

Asymmetric heat transfer systems, often referred to as thermal diodes or thermal rectifiers, have garnered increasing interest due to their wide range of application possibilities. Most of those previous macroscopic thermal diodes either resort to nonlinear thermal conductivities with strong temperature dependence that may be quite limited by or fixed in natural materials or rely on active modulation that necessitated auxiliary energy payloads. Here, we establish a straightforward strategy of passively realizing asymmetric heat transfer with linear conductive materials. The strategy also introduces a new interrogative perspective on the design of asymmetric heat transfer utilizing nonlinear thermal conductivity, correcting the misconception that thermal rectification is impossible with separable nonlinear thermal conductivity. The nonlinear perturbation mode can be versatilely engineered to produce an effective and wide-ranging perturbation in the heat conduction, which imitates and bypasses intrinsic thermal nonlinearity constraints set by naturally occurring counterparts. Independent experimental characterizations of surface thermal radiation and thermal convection verified that the heat exchange between a graded linear thermal metamaterial and the ambient can be tailored to achieve macroscopic asymmetric heat transfer. Our work is envisaged to inspire conceptual models for heat transfer control, serving as a robust and convenient platform for advanced thermal management, thermal computation, and heat transport. © 2022, CC BY.

关键词： Thermal conductivity

来源：评论

学校读者我要写书评

暂无评论

Geometric Filterless Photodetectors for Mid-infrared Spin Light

arXiv

引用

arXiv 2022年

作者： Wei, Jingxuan Chen, Yang Li, Ying Li, Wei Xie, Junsheng Lee, Chengkuo Novoselov, Kostya S. Qiu, Cheng-Wei Department of Electrical and Computer Engineering National University of Singapore Singapore117583 Singapore CAS Key Laboratory of Mechanical Behaviour and Design of Materials Department of Precision Machinery and Precision Instrumentation University of Science and Technology of China Hefei230026 China Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang University Hangzhou310027 China International Joint Innovation Center Key Lab of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang Zhejiang University Haining314400 China GPL Photonics Lab State Key Laboratory of Applied Optics Changchun Institute of Optics Fine Mechanics and Physics Chinese Academy of Sciences Changchun130033 China Center for Intelligent Sensors and MEMS National University of Singapore Singapore117608 Singapore Institute for Functional Intelligent Materials National University of Singapore Singapore117544 Singapore

Free-space circularly polarized light (CPL) detection, requiring polarizers and waveplates, has been well established, while such spatial degree of freedom is unfortunately absent in integrated on-chip optoelectronics. So far, those reported filterless CPL photodetectors suffer from the intrinsic small discrimination ratio, vulnerability to the non-CPL field components, and low responsivity. Here, we report a distinct paradigm of geometric photodetectors in mid-infrared exhibiting colossal discrimination ratio, close-to-perfect CPL-specific response, a zero-bias responsivity of 392 V/W at room temperature, and a detectivity of ellipticity down to 0.03o Hz−1/2. Our approach employs plasmonic nanostructures array with judiciously designed symmetry, assisted by graphene ribbons to electrically read their near-field optical information. This geometry-empowered recipe for infrared photodetectors provides a robust, direct, strict, and high-quality solution to on-chip filterless CPL detection and unlocks new opportunities for integrated functional optoelectronic devices. Copyright © 2022, The Authors. All rights reserved.

关键词： Photodetectors

来源：评论

学校读者我要写书评

暂无评论

Valley population of donor states in highly strained silicon

arXiv

引用

arXiv 2021年

作者： Voisin, B. Ng, K.S.H. Salfi, J. Usman, M. Wong, J.C. Tankasala, A. Johnson, B.C. McCallum, J.C. Hutin, L. Bertrand, B. Vinet, M. Valanoor, N. Simmons, M.Y. Rahman, R. Hollenberg, L.C.L. Rogge, S. Silicon Quantum Computing SydneyNSW2052 Australia School of Physics Sydney The University of New South Wales SydneyNSW2052 Australia Centre for Quantum Computation and Communication Technology School of Physics The University of New South Wales SydneyNSW2052 Australia 5. Physikalisches Institut and Center for Integrated Quantum Science and Technology Universität Stuttgart Stuttgart70569 Germany Department of Electrical and Computer Engineering University of British Columbia VancouverBCV6T 1Z4 Canada Centre for Quantum Computation and Communication Technology School of Physics The University of Melbourne ParkvilleVIC3010 Australia School of Computing and Information Systems Faculty of Engineering and Information Technology The University of Melbourne ParkvilleVIC3010 Australia School of Materials Science and Engineering The University of New South Wales SydneyNSW2052 Australia Electrical and Computer Engineering Department Purdue University West LafayetteIN United States Quantum Photonics Laboratory School of Engineering RMIT University MelbourneVIC3000 Australia Université Grenoble Alpes CEA LETI Grenoble38000 France

Strain is extensively used to controllably tailor the electronic properties of materials. In the context of indirect band-gap semiconductors such as silicon, strain lifts the valley degeneracy of the six conduction band minima, and by extension the valley states of electrons bound to phosphorus donors. Here, single phosphorus atoms are embedded in an engineered thin layer of silicon strained to 0.8% and their wave function imaged using spatially resolved spectroscopy. A prevalence of the out of plane valleys is confirmed from the real-space images, and a combination of theoretical modelling tools is used to assess how this valley repopulation effect can yield isotropic exchange and tunnel interactions in the xy-plane relevant for atomically precise donor qubit devices. Finally, the residual presence of in-plane valleys is evidenced by a Fourier analysis of both experimental and theoretical images, and atomistic calculations highlight the importance of higher orbital excited states to obtain a precise relationship between valley population and strain. Controlling the valley degree of freedom in engineered strained epilayers provides a new competitive asset for the development of donor-based quantum technologies in silicon. Copyright © 2021, The Authors. All rights reserved.

关键词： Landforms

来源：评论

学校读者我要写书评

暂无评论

MONAI: An open-source framework for deep learning in healthcare

arXiv

引用

arXiv 2022年

作者： Cardoso, M. Jorge Li, Wenqi Brown, Richard Ma, Nic Kerfoot, Eric Wang, Yiheng Murrey, Benjamin Myronenko, Andriy Zhao, Can Yang, Dong Nath, Vishwesh He, Yufan Xu, Ziyue Hatamizadeh, Ali Zhu, Wentao Liu, Yun Zheng, Mingxin Tang, Yucheng Yang, Isaac Zephyr, Michael Hashemian, Behrooz Alle, Sachidanand Darestani, Mohammad Zalbagi Budd, Charlie Modat, Marc Vercauteren, Tom Wang, Guotai Li, Yiwen Hu, Yipeng Fu, Yunguan Gorman, Benjamin Johnson, Hans Genereaux, Brad Erdal, Barbaros S. Gupta, Vikash Diaz-Pinto, Andres Dourson, Andre Maier-Hein, Lena Jaeger, Paul F. Baumgartner, Michael Kalpathy-Cramer, Jayashree Flores, Mona Kirby, Justin Cooper, Lee A.D. Roth, Holger R. Xu, Daguang Bericat, David Floca, Ralf Zhou, S. Kevin Shuaib, Haris Farahani, Keyvan Maier-Hein, Klaus H. Aylward, Stephen Dogra, Prerna Ourselin, Sebastien Feng, Andrew School of Biomedical Engineering & Imaging Sciences King’s College London London United Kingdom NVIDIA Corporation Santa Clara and Bethesda United States School of Electrical and Computer Engineering Rice University Houston United States Department of Engineering Science University of Oxford Oxford United Kingdom Department of Medical Physics and Biomedical Engineering University College London London United Kingdom Department of BioAI InstaDeep Ltd London United Kingdom Department of Electrical & Computer Engineering University of Iowa Iowa City United States Mayo Clinic Jacksonville United States Mars Incorporated United States Div. Intelligent Medical Systems German Cancer Research Center Heidelberg Germany Division of Medical Image Computing German Cancer Research Center Heidelberg Germany Pattern Analysis and Learning Group Department of Radiation Oncology Heidelberg University Hospital Heidelberg Germany School of Biomedical Engineering Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou China Department of Medical Physics Guy’s & St Thomas’ NHS Foundation Trust London United Kingdom National Cancer Institute Bethesda United States Kitware Inc. Clifton Park United States Department of Ophthalmology University of Colorado Aurora United States Frederick National Laboratory for Cancer Research Frederick United States Department of Pathology Northwestern University Chicago United States

Artificial Intelligence (AI) is having a tremendous impact across most areas of science. Applications of AI in healthcare have the potential to improve our ability to detect, diagnose, prognose, and intervene on human disease. For AI models to be used clinically, they need to be made safe, reproducible and robust, and the underlying software framework must be aware of the particularities (e.g. geometry, physiology, physics) of medical data being processed. This work introduces MONAI, a freely available, community-supported, and consortium-led PyTorch-based framework for deep learning in healthcare. MONAI extends PyTorch to support medical data, with a particular focus on imaging, and provide purpose-specific AI model architectures, transformations and utilities that streamline the development and deployment of medical AI models. MONAI follows best practices for software-development, providing an easy-to-use, robust, well-documented, and well-tested software framework. MONAI preserves the simple, additive, and compositional approach of its underlying PyTorch libraries. MONAI is being used by and receiving contributions from research, clinical and industrial teams from around the world, who are pursuing applications spanning nearly every aspect of healthcare. © 2022, CC BY.

关键词： Clinical research

来源：评论

学校读者我要写书评

暂无评论

A perspective of twisted photonic structures

arXiv

引用

arXiv 2021年

作者： Chen, Jialin Lin, Xiao Chen, Mingyuan Low, Tony Chen, Hongsheng Dai, Siyuan Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang University Hangzhou310027 China International Joint Innovation Center Key Lab. of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang The Electromagnetics Academy at Zhejiang University Zhejiang University Haining314400 China Materials Research and Education Center Department of Mechanical Engineering Auburn University AuburnAL36849 United States Department of Electrical and Computer Engineering University of Minnesota MinneapolisMN55455 United States

Moiré superlattices-twisted van der Waals (vdW) structures with small angles-are attracting increasing attention in condensed matter physics, due to important phenomena revealed therein, including unconventional superconductivity, correlated insulating states, and ferromagnetism. Moiré superlattices are typically comprised of atomic layers of vdW materials where the exotic physics arises from the quantum electronic coupling between adjacent atomic layers. Recently, moiré electronics has motivated their photonic counterparts. In addition to vdW materials, twisted photonic systems can also be comprised of metamaterials, metasurfaces, and photonic crystals, mediated by interlayer electromagnetic coupling instead. The interplay between short-ranged interlayer quantum and long-ranged electromagnetic coupling in twisted structures are expected to yield rich phenomena in nano-optics. This perspective reviews recent progress in twisted structures for nanophotonics and outlooks emerging topics, opportunities, fundamental challenges, and potential applications. © 2021, CC BY.

关键词： Van der Waals forces

来源：评论

学校读者我要写书评

暂无评论

Learning data-adaptive non-parametric kernels

The Journal of Machine Learning Research

引用

The Journal of Machine Learning Research 2020年第1期21卷 8590-8628页

作者： Fanghui Liu Xiaolin Huang Chen Gong Jie Yang Li Li Department of Electrical Engineering ESAT-STADIUS KU Leuven Belgium Institute of Image Processing and Pattern Recognition Institute of Medical Robotics Shanghai Jiao Tong University Shanghai China PCA Lab Key Laboratory of Intelligent Perception and Systems for High-Dimensional Information of Ministry of Education School of Computer Science and Engineering Nanjing University of Science and Technology China and Department of Computing Hong Kong Polytechnic University Hong Kong SAR China Department of Automation BNRist Tsinghua University China

In this paper, we propose a data-adaptive non-parametric kernel learning framework in margin based kernel methods. In model formulation, given an initial kernel matrix, a data-adaptive matrix with two constraints is imposed in an entry-wise scheme. Learning this data-adaptive matrix in a formulation-free strategy enlarges the margin between classes and thus improves the model flexibility. The introduced two constraints are imposed either exactly (on small data sets) or approximately (on large data sets) in our model, which provides a controllable trade-off between model flexibility and complexity with theoretical demonstration. In algorithm optimization, the objective function of our learning framework is proven to be gradient-Lipschitz continuous. Thereby, kernel and classifier/regressor learning can be efficiently optimized in a unified framework via Nesterov's acceleration. For the scalability issue, we study a decomposition-based approach to our model in the large sample case. The effectiveness of this approximation is illustrated by both empirical studies and theoretical guarantees. Experimental results on various classification and regression benchmark data sets demonstrate that our non-parametric kernel learning framework achieves good performance when compared with other representative kernel learning based algorithms.

关键词： support vector machines non-parametric kernel learning gradient-Lipschitz continuous

来源：评论

学校读者我要写书评

暂无评论

Localized heat diffusion in topological thermal materials

arXiv

引用

arXiv 2021年

作者： Qi, Minghong Wang, Dong Cao, Pei-Chao Zhu, Xue-Feng Qiu, Cheng-Wei Chen, Hongsheng Li, Ying Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang University Hangzhou310027 China International Joint Innovation Center Key Lab. of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang The Electromagnetics Academy Zhejiang University Zhejiang University Haining314400 China School of Physics Innovation Institute Huazhong University of Science and Technology Wuhan430074 China Department of Electrical and Computer Engineering National University of Singapore Singapore117583 Singapore

Various unusual behaviors of artificial materials are governed by their topological properties, among which the edge state at the boundary of a photonic or phononic lattice has been captivated as a popular notion. However, this remarkable bulk-boundary correspondence and the related phenomena are missing in thermal materials. One reason is that heat diffusion is described in a non-Hermitian framework because of its dissipative nature. The other is that the relevant temperature field is mostly composed of modes that extend over wide ranges, making it difficult to be rendered within the tight-binding theory as commonly employed in wave physics. Here, we overcome the above challenges and perform systematic studies on heat diffusion in thermal lattices. Based on a continuum model, we introduce a state vector to link the Zak phase with the existence of the edge state, and thereby analytically prove the thermal bulk-boundary correspondence. We experimentally demonstrate the predicted edge states with a topologically protected and localized heat dissipation capacity. Our finding sets up a solid foundation to explore the topology in novel heat transfer manipulations. © 2021, CC BY.

关键词： Topology

来源：评论

学校读者我要写书评

暂无评论

DPA-2: a large atomic model as a multi-task learner

arXiv

引用

arXiv 2023年

作者： Zhang, Duo Liu, Xinzijian Zhang, Xiangyu Zhang, Chengqian Cai, Chun Bi, Hangrui Du, Yiming Qin, Xuejian Peng, Anyang Huang, Jiameng Li, Bowen Shan, Yifan Zeng, Jinzhe Zhang, Yuzhi Liu, Siyuan Li, Yifan Chang, Junhan Wang, Xinyan Zhou, Shuo Liu, Jianchuan Luo, Xiaoshan Wang, Zhenyu Jiang, Wanrun Wu, Jing Yang, Yudi Yang, Jiyuan Yang, Manyi Gong, Fu-Qiang Zhang, Linshuang Shi, Mengchao Dai, Fu-Zhi York, Darrin M. Liu, Shi Zhu, Tong Zhong, Zhicheng Lv, Jian Cheng, Jun Jia, Weile Chen, Mohan Ke, Guolin Weinan, E. Zhang, Linfeng Wang, Han AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing100871 China University of Chinese Academy of Sciences Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China CAS Key Laboratory of Magnetic Materials and Devices Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of Sciences Ningbo315201 China School of Electronics Engineering and Computer Science Peking University Beijing100871 China Shanghai Engineering Research Center of Molecular Therapeutics & New Drug Development School of Chemistry and Molecular Engineering East China Normal University Shanghai200062 China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States Department of Chemistry Princeton University PrincetonNJ08540 United States College of Chemistry and Molecular Engineering Peking University Beijing100871 China Yuanpei College Peking University Beijing100871 China School of Electrical Engineering and Electronic Information Xihua University Chengdu610039 China State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China Key Laboratory of Material Simulation Methods & Software of Ministry of Education College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China Key Laboratory for Quantum Materials of Zhejiang Province Department of Physics School of Science Westlake University Zhejiang Hangzhou310030 China Atomistic Simulations Italia

The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demonstrated the capability to conduct large-scale, long-duration simulations with the accuracy of ab initio electronic structure methods. However, the model generation process remains a bottleneck for large-scale applications. We propose a shift towards a model-centric ecosystem, wherein a large atomic model (LAM), pre-trained across multiple disciplines, can be efficiently fine-tuned and distilled for various downstream tasks, thereby establishing a new framework for molecular modeling. In this study, we introduce the DPA-2 architecture as a prototype for LAMs. Pre-trained on a diverse array of chemical and materials systems using a multi-task approach, DPA-2 demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning methodologies. Our approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research. Copyright © 2023, The Authors. All rights reserved.

关键词： Multi-task learning

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：