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More Optimal Fractional-Order Stochastic Gradient Descent for Non-Convex Optimization Problems

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arXiv 2025年

作者： Partohaghighi, Mohammad Marcia, Roummel Chen, YangQuan Electrical Engineering and Computer Science Graduate Program University of California Merced United States Department of Applied Mathematics University of California Merced MercedCA United States Lab Department of Mechanical Engineering School of Engineering University of California MercedCA95343 United States

Fractional-order stochastic gradient descent (FOSGD) leverages fractional exponents to capture long-memory effects in optimization. However, its utility is often limited by the difficulty of tuning and stabilizing these exponents. We propose 2SED Fractional-Order Stochastic Gradient Descent (2SEDFOSGD), which integrates the Two-Scale Effective Dimension (2SED) algorithm with FOSGD to adapt the fractional exponent in a data-driven manner. By tracking model sensitivity and effective dimensionality, 2SEDFOSGD dynamically modulates the exponent to mitigate oscillations and hasten convergence. Theoretically, for onoconvex optimization problems, this approach preserves the advantages of fractional memory without the sluggish or unstable behavior observed in naïve fractional SGD. Empirical evaluations in Gaussian and α-stable noise scenarios using an autoregressive (AR) model highlight faster convergence and more robust parameter estimates compared to baseline methods, underscoring the potential of dimension-aware fractional techniques for advanced modeling and estimation tasks. © 2025, CC BY.

关键词： Convex optimization

Quantifying U-Net Uncertainty in Multi-Parametric MRI-based Glioma Segmentation by Spherical Image Projection

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arXiv 2022年

作者： Yang, Zhenyu Lafata, Kyle Vaios, Eugene Hu, Zongsheng Mullikin, Trey Yin, Fang-Fang Wang, Chunhao Department of Radiation Oncology Duke University DurhamNC United States Medical Physics Graduate Program Duke Kunshan University Jiangsu Kunshan China Medical Physics Graduate Program Duke University DurhamNC United States Department of Radiology Duke University DurhamNC United States Department of Electrical and Computer Engineering Duke University DurhamNC United States Department of Radiation Physics The University of Texas MD Anderson Cancer Center HoustonTX United States The University of Texas MD Anderson Graduate School of Biomedical Science HoustonTX United States

Background: Uncertainty quantification in deep learning is an important research topic. For medical image segmentation, the uncertainty measurements are usually reported as the likelihood that each pixel belongs to the predicted segmentation region. In potential clinical applications, the uncertainty result reflects the algorithm's robustness and supports the confidence and trust of the segmentation result when the ground-truth result is absent. For commonly studied deep learning models, novel methods for quantifying segmentation uncertainty are in demand. Purpose: To develop a U-Net segmentation uncertainty quantification method based on spherical image projection of multi-parametric MRI (MP-MRI) in glioma segmentation. Methods: The projection of planar MRI data onto a spherical surface is equivalent to a nonlinear image transformation that retains global anatomical information. By incorporating this image transformation process in our proposed spherical projection-based U-Net (SPU-Net) segmentation model design, multiple independent segmentation predictions can be obtained from a single MRI. The final segmentation is the average of all available results, and the variation can be visualized as a pixel-wise uncertainty map. An uncertainty score was introduced to evaluate and compare the performance of uncertainty measurements. The proposed SPU-Net model was implemented on the basis of 369 glioma patients with MP-MRI scans (T1, T1-Ce, T2, and FLAIR). Three SPU-Net models were trained to segment enhancing tumor (ET), tumor core (TC), and whole tumor (WT), respectively. The SPU-Net model was compared with (1) the classic U-Net model with test-time augmentation (TTA) and (2) linear scaling-based U-Net (LSU-Net) segmentation models in terms of both segmentation accuracy (Dice coefficient, sensitivity, specificity, and accuracy) and segmentation uncertainty (uncertainty map and uncertainty score). Results: The developed SPU-Net model successfully achieved low uncertainty

关键词： Tumors

Microchip-based structure determination of low-molecular weight proteins using cryo-electron microscopy

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Nanoscale 2021年第15期13卷 7285-7293页

作者： Casasanta, Michael A. Jonaid, G.M. Kaylor, Liam Luqiu, William Y. Solares, Maria J. Schroen, Mariah L. Dearnaley, William J. Wilson, Jarad Dukes, Madeline J. Kelly, Deborah F. Department of Biomedical Engineering Pennsylvania State University University Park 16802 PA United States Materials Research Institute Pennsylvania State University University Park 16802 PA United States Bioinformatics and Genomics Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park 16802 PA United States Molecular Cellular and Integrative Biosciences Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park 16802 PA United States Department of Electrical and Computer Engineering Duke University Durham 27708 NC United States RayBiotech Life Peachtree Corners 30092 GA United States Applications Science Protochips Inc Morrisville 27560 NC United States

Interest in cryo-Electron Microscopy (EM) imaging has skyrocketed in recent years due to its pristine views of macromolecules and materials. As advances in instrumentation and computing algorithms spurred this progress, there is renewed focus to address specimen-related challenges. Here we contribute a microchip-based toolkit to perform complementary structural and biochemical analysis on low-molecular weight proteins. As a model system, we used the SARS-CoV-2 nucleocapsid (N) protein (48 kDa) due to its stability and important role in therapeutic development. Cryo-EM structures of the N protein monomer revealed a flexible N-terminal "top hat"motif and a helical-rich C-terminal domain. To complement our structural findings, we engineered microchip-based immunoprecipitation assays that led to the discovery of the first antibody binding site on the N protein. The data also facilitated molecular modeling of a variety of pandemic and common cold-related coronavirus proteins. Such insights may guide future pandemic-preparedness protocols through immuno-engineering strategies to mitigate viral outbreaks. This journal is © The Royal Society of Chemistry.

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Giant Deep-Ultraviolet Circular Dichroism in Synthetic Architectures of Ordered Carbon Nanotubes

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Giant Deep-Ultraviolet Circular Dichroism in Synthetic Archi...

Conference on Lasers and Electro-Optics (CLEO)

作者： Jacques Doumani Minhan Lou Oliver Dewey Nina Hong Jichao Fan Andrey Baydin Matteo Pasquali Yohei Yomogida Kazuhiro Yanagi Riichiro Saito Junichiro Kono Weilu Gao Department of Electrical and Computer Engineering Rice University Houston TX USA Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston TX USA Department of Electrical and Computer Engineering The University of Utah Salt Lake City UT USA Carbon Hub Rice University Houston TX USA Department of Chemical and Biomolecular Engineering Rice University Houston TX USA J.A. Woollam Co. Lincoln NE USA The Smalley-Curl Institute Rice University Houston TX USA Department of Chemistry Rice University Houston TX USA Department of Materials Science and NanoEngineering Rice University Houston TX USA Department of Physics and Astronomy Tokyo Metropolitan University Tokyo Japan Department Physics Tohoku University Sendai Japan Department Physics and Astronomy Rice University Houston TX USA

We demonstrate tunable, giant, and structure-induced deep-ultraviolet circular dichroism in macroscopically chiral assemblies of racemic carbon nanotubes prepared using two approaches: mechanical-rotation-assisted vac... 详细信息

ISBN: (纸本)9781957171258

关键词： Carbon nanotubes Chiral media Dichroism Graphene Optical activity Quantum information

Optically-generated focused ultrasound for noninvasive brain stimulation with ultrahigh precision

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arXiv 2022年

作者： Li, Yueming Jiang, Ying Lan, Lu Ge, Xiaowei Cheng, Ran Zhan, Yuewei Chen, Guo Shi, Linli Wang, Runyu Zheng, Nan Yang, Chen Cheng, Ji-Xin Department of Mechanical Engineering Boston University BostonMA02215 United States Graduate Program for Neuroscience Boston University BostonMA02215 United States Department of Electrical and Computer Engineering Boston University BostonMA02215 United States Department of Chemistry Boston University BostonMA02215 United States Department of Biomedical Engineering Boston University BostonMA02215 United States Division of Materials Science and Engineering Boston University BostonMA02215 United States

High precision neuromodulation is a powerful tool to decipher neurocircuits and treat neurological diseases. Current non-invasive neuromodulation methods offer limited precision at the millimeter-level. Here, we report optically-generated focused ultrasound (OFUS) for non-invasive brain stimulation with ultrahigh precision. OFUS is generated by a soft optoacoustic pad (SOAP) fabricated through embedding candle soot nanoparticles in a curved polydimethylsiloxane film. SOAP generates a transcranial ultrasound focus at 15 MHz with an ultrahigh lateral resolution of 83 µm, which is two orders of magnitude smaller than that of conventional transcranial focused ultrasound (tFUS). Here, we show effective OFUS neurostimulation in vitro with a single ultrasound cycle. We demonstrate submillimeter transcranial stimulation of the mouse motor cortex in vivo. An acoustic energy of 0.6 mJ/cm2, four orders of magnitude less than that of tFUS, is sufficient for successful OFUS neurostimulation. OFUS offers new capabilities for neuroscience studies and disease treatments by delivering a focus with ultrahigh precision non-invasively. Copyright © 2022, The Authors. All rights reserved.

关键词： Silicones

Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model

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arXiv 2024年

作者： Zhou, Peng Wang, Jianmin Li, Chunyan Wang, Zixu Liu, Yiping Sun, Siqi Lin, Jianxin Wei, Leyi Cai, Xibao Lai, Houtim Liu, Wei Wang, Longyue Liu, Yuansheng Zeng, Xiangxiang College of Information Science and Engineering Hunan University Changsha China The Interdisciplinary Graduate Program in Integrative Biotechnology Yonsei University Incheon21983 Korea Republic of School of Informatics Yunnan Normal University Kunming650500 China Department of Computer Science University of Tsukuba Tsukuba3058577 Japan Research Institute of Intelligent Complex Systems Fudan University Shanghai200433 China Shanghai AI Laboratory Shanghai200232 China Centre for Artificial Intelligence driven Drug Discovery Faculty of Applied Science Macao Polytechnic University China School of Informatics Xiamen University Xiamen China Tencent AI Lab China

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a multi-constraint molecular generation large language model, TSMMG, which, akin to a student, incorporates knowledge from various small models and tools, namely, the 'teachers'. To train TSMMG, we construct a large set of text-molecule pairs by extracting molecular knowledge from these 'teachers', enabling it to generate novel molecules that conform to the descriptions through various text prompts. We experimentally show that TSMMG remarkably performs in generating molecules meeting complex, natural language-described property requirements across two-, three-, and four-constraint tasks, with an average molecular validity of over 99% and success ratio of 82.58%, 68.03%, and 67.48%, respectively. The model also exhibits adaptability through zero-shot testing, creating molecules that satisfy combinations of properties that have not been encountered. It can comprehend text inputs with various language styles, extending beyond the confines of outlined prompts, as confirmed through empirical validation. Additionally, the knowledge distillation feature of TSMMG contributes to the continuous enhancement of small models, while the innovative approach to dataset construction effectively addresses the issues of data scarcity and quality, which positions TSMMG as a promising tool in the domains of drug discovery and materials science. Copyright © 2024, The Authors. All rights reserved.

关键词： Students

Two-step electronic response to magnetic ordering in a van der Waals ferromagnet

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Physical Review B 2024年第4期109卷 045416-045416页

作者： Han Wu Jian-Xin Zhu Lebing Chen Matthew W. Butcher Ziqin Yue Dongsheng Yuan Yu He Ji Seop Oh Bin Gao Jianwei Huang Shan Wu Cheng Gong Yucheng Guo Sung-Kwan Mo Jonathan Denlinger Donghui Lu Makoto Hashimoto Matthew B. Stone Alexander I. Kolesnikov Songxue Chi Junichiro Kono Andriy H. Nevidomskyy Robert J. Birgeneau Pengcheng Dai Ming Yi Department of Physics and Astronomy and Rice Center for Quantum Materials Rice University Houston Texas 77005 USA Theoretical Division Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Center for Integrated Nanotechnologies Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Department of Physics University of California at Berkeley Berkeley California 94720 USA Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston Texas 77005 USA Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA National Institute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan Department of Applied Physics Yale University New Haven Connecticut 06511 USA Department of Electrical and Computer Engineering and Quantum Technology Center University of Maryland College Park Maryland 20742 USA Advanced Light Source Lawrence Berkeley National Laboratory Berkeley California 94720 USA Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory Menlo Park California 94025 USA Neutron Scattering Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Department of Electrical and Computer Engineering Rice University Houston Texas 77005 USA Smalley-Curl Institute Rice University Houston Texas 77005 USA Department of Material Science and Nanoengineering Rice University Houston Texas 77005 USA Department of Materials Science and Engineering University of California Berkeley California 94720 USA

The two-dimensional material Cr2Ge2Te6 is a member of the class of insulating van der Waals (vdW) magnets. Here, using high resolution angle-resolved photoemission spectroscopy in a detailed temperature dependence study, we identify a clear response of the electronic structure to a dimensional crossover in the form of two distinct temperature scales marking onsets of modifications in the electronic structure. Specifically, we observe Te p-orbital-dominated bands to undergo changes at the Curie transition temperature TC while the Cr d-orbital-dominated bands begin evolving at a higher temperature scale. Combined with neutron scattering, density functional theory calculations, and Monte Carlo simulations, we find that the electronic system can be consistently understood to respond sequentially to the distinct temperatures at which in-plane and out-of-plane spin correlations exceed a characteristic length scale. Our findings reveal the sensitivity of the orbital-selective electronic structure for probing the dynamical evolution of local moment correlations in vdW insulating magnets.

关键词： Electronic structure Magnetic order Magnetic phase transitions Van der Waals systems Angle-resolved photoemission spectroscopy

Mechanically reprogrammable Pancharatnam-Berry metasurface for microwaves

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Advanced Photonics 2022年第1期4卷 69-79页

作者： Quan Xu Xiaoqiang Su Xueqian Zhang Lijuan Dong Lifeng Liu Yunlong Shi Qiu Wang Ming Kang Andrea Alù Shuang Zhang Jiaguang Han Weili Zhang Tianjin University Center for Terahertz Waves and College of Precision Instrument and Optoelectronics EngineeringKey Laboratory of Optoelectronic Information Technology(Ministry of Education of China)TianjinChina Shanxi Datong University Institute of Solid State Physics and College of Physics and Electronic ScienceShanxi Province Key Laboratory of Microstructure Electromagnetic Functional MaterialsDatongChina Wuhan University of Technology School of Information EngineeringWuhanChina Tianjin Normal University College of Physics and Materials ScienceTianjinChina City University of New York Advanced Science Research CenterPhotonics InitiativeNew YorkUnited States City University of New York Graduate CenterPhysics ProgramNew YorkUnited States University of Hong Kong Faculty of ScienceDepartment of PhysicsHong KongChina University of Hong Kong Department of Electrical and Electronic EngineeringHong KongChina Guilin University of Electronic Technology Guangxi Key Laboratory of Optoelectronic Information ProcessingSchool of Optoelectronic EngineeringGuilinChina Oklahoma State University School of Electrical and Computer EngineeringStillwaterOklahomaUnited States

Metasurfaces have enabled the realization of several optical functionalities over an ultrathin platform,fostering the exciting field of flat *** metasurfaces are achieved by arranging a layout of static meta-atoms to imprint a desired operation on the impinging wavefront,but their functionality cannot be *** and programmability of metasurfaces are the next important step to broaden their impact,adding customized on-demand functionality in which each meta-atom can be individually *** demonstrate a mechanical metasurface platform with controllable rotation at the meta-atom level,which can implement continuous Pancharatnam–Berry phase control of circularly polarized *** the proof-of-concept experiments,we demonstrate metalensing,focused vortex beam generation,and holographic imaging in the same metasurface template,exhibiting versatility and superior *** dynamic control of electromagnetic waves using a single,low-cost metasurface paves an avenue towards practical applications,driving the field of reprogrammable intelligent metasurfaces for a variety of applications.

关键词： reprogrammable metasurfaces Pancharatnam-Berry phase mechanical metasurfaces microwaves

Galaxy clusters at z ∼ 1 imaged by ALMA with the Sunyaev–Zel’dovich effect

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Publications of the Astronomical Society of Japan 2023年第2期75卷 311-337页

作者： Kitayama, Tetsu Ueda, Shutaro Okabe, Nobuhiro Akahori, Takuya Hilton, Matt Hughes, John P. Ichinohe, Yuto Kohno, Kotaro Komatsu, Eiichiro Lin, Yen-Ting Miyatake, Hironao Oguri, Masamune Sifón, Cristóbal Takakuwa, Shigehisa Takizawa, Motokazu Tsutsumi, Takahiro van Marrewijk, Joshiwa Wollack, Edward J. Department of Physics Toho University 2-2-1 Miyama Chiba Funabashi274-8510 Japan No. 1 Section 4 Roosevelt Road Taipei10617 Taiwan Institute of Astronomy National Tsing Hua University Hsinchu30013 Taiwan Department of Physics Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima Hiroshima739-8526 Japan Astrophysical Science Center Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima Hiroshima739-8526 Japan Core Research for Energetic Universe Department of Physics Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima Hiroshima739-8526 Japan Physics Program Graduate School of Advanced Science and Engineering Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima Hiroshima739-8526 Japan Mizusawa VLBI observatory National Astronomical Observatory of Japan 2-21-1 Osawa Mitaka Tokyo181-8588 Japan Operation Division SKA Observatory Jodrell Bank Lower Withington MacclesfieldSK11 9DL United Kingdom Astrophysics Research Centre University of KwaZulu-Natal Westville Campus Durban4041 South Africa School of Mathematics Statistics & Computer Science University of KwaZulu-Natal Westville Campus Durban4041 South Africa Wits Centre for Astrophysics School of Physics University of the Witwatersrand Private Bag 3 Johannesburg2050 South Africa Department of Physics and Astronomy Rutgers The State University of New Jersey PiscatawayNJ08854-8019 United States Department of Physics Rikkyo University 3-34-1 Nishi-Ikebukuro Toshima-ku Tokyo171-8501 Japan Institute of Astronomy School of Science The University of Tokyo 2-21-1 Osawa Mitaka Tokyo181-0015 Japan Research Center for the Early Universe School of Science The University of Tokyo 7-3-1 Hongo Bunkyo Tokyo113-0033 Japan Max-Planck-Institut für Astrophysik Karl-Schwarzschild Str. 1 GarchingD-85741 Germany The University of Tokyo Institutes for Advanced Study The University of Tokyo 5-1-5 Kashiwanoha Chiba Kashiwa277-8583 Japan Nagoya University Furo-cho Chikusa-

We present high angular resolution measurements of the thermal Sunyaev–Zel’dovich effect (SZE) toward two galaxy clusters, RCS J2319+0038 at z = 0.9 and HSC J0947−0119 at z = 1.1, by the Atacama Large Millimeter/submillimeter Array (ALMA) in Band 3. They are supplemented with available Chandra X-ray data, optical data taken by Hyper Suprime-Cam on Subaru, and millimeter-wave SZE data from the Atacama Cosmology Telescope. Taking into account departures from spherical symmetry, we have reconstructed non-parametrically the inner pressure profile of two clusters as well as electron temperature and density profiles for RCS J2319+0038. This is one of the first such measurements for an individual cluster at z 0.9. We find that the inner pressure profile of both clusters is much shallower than that of local cool-core clusters. Our results consistently suggest that RCS J2319+0038 hosts a weak cool core, where radiative cooling is less significant than in local cool cores. On the other hand, HSC J0947−0119 exhibits an even shallower pressure profile than RCS J2319+0038 and is more likely to be a non-cool-core cluster. The SZE centroid position is offset by more than 140 h−170 kpc from the peaks of galaxy distribution in HSC J0947−0119, suggesting a stronger influence of mergers in this cluster. We conclude that these distant clusters are at a very early stage of developing the cool cores typically found in clusters at lower redshifts. © The Author(s) 2023. Published by Oxford University Press on behalf of the Astronomical Society of Japan.

关键词： Millimeter waves