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Dose Requirements for Fused Multi-Modal Electron Tomography

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1968-1969页

作者： Manassa, Jason Schwartz, Jonathan Jiang, Yi Zheng, Huihuo Fessler, Jeffrey A. Wendy Di, Zichao Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States Advanced Photon Source Facility Argonne National Laboratory Lemont IL United States Argonne Leadership Computing Facility Argonne National Laboratory Lemont IL United States Department of Electrical Engineering and Computer Science University of Michigan Ann Arbor MI United States Mathematics and Computer Science Division Argonne National Laboratory Lemont IL United States Applied Physics Program University of Michigan Ann Arbor MI United States

Characterization of void space, large-scale structure, and transport properties of maximally random jammed packings of superballs

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arXiv 2021年

作者： Maher, Charles Emmett Stillinger, Frank H. Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Institute for the Science and Technology of Materials Princeton University PrincetonNJ08544 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Dense, disordered packings of particles are useful models of low-temperature amorphous phases of matter, biological systems, granular media, and colloidal systems. The study of dense packings of nonspherical particles enables one to ascertain how rotational degrees of freedom affect packing behavior. Here, we study superballs, a large family of deformations of the sphere, defined in three dimensions by |x1|2p + |x2|2p + |x3|2p ≤ 1, where p ∈ (0, ∞) is a deformation parameter indicating to what extent the shape deviates from a sphere. As p increases from the sphere point (p = 1), the superball tends to a cuboidal shape and approaches a cube in the p → ∞ limit. As p → 0.5, it approaches an octahedron, becomes a concave body with octahedral symmetry for p ¯) vary nonanalytically as p diverges from unity. Here, we use an event-driven molecular dynamics algorithm to produce MRJ superball packings with 0.85 ≤ p ≤ 1.50. To supplement the previous work on such packings, we characterize their large-scale structure by examining the behaviors of their structure factors S(Q) and spectral densities χV (Q), as the wave number Q tends to zero, and find that these packings are effectively hyperuniform for all values of p examined. We show that the mean width w¯ is a useful length scale to make distances dimensionless in order to compare systematically superballs of different shape. Moreover, we compute the complementary cumulative pore-size distribution F (δ) and find that the pore sizes tend to decrease as |1 − p| increases. From F (δ), we estimate how the fluid permeability, mean survival time, and principal diffusion relaxation time vary as a function of p. Additionally, we compute the diffusion "spreadability" S(t) [Torquato, Phys. Rev. E, 104, 054102, (2021)] of these packings and find that the long-time power-law scaling indicates these packings are hyperuniform with a small-Q power law scaling of the spectral density χV (Q) ∼ Qα with an exponent α that ranges from 0.64 at th

关键词： Spheres

Incremental learning and state-space evolving fuzzy control of nonlinear time-varying systems with unknown model

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arXiv 2021年

作者： Leite, Daniel Coutinho, Pedro Bessa, Iury Camargos, Murilo Cordovil Junior, Luiz A.Q. Palhares, Reinaldo Department of Automatics Federal University of Lavras Brazil Graduate Program in Electrical Engineering Federal University of Minas Gerais Brazil Department of Electricity Federal University of Amazonas Brazil School of Applied Mathematics Fundação Getulio Vargas Rio de Janeiro Brazil Department of Electronics Engineering Federal University of Minas Gerais Brazil

We present a method for incremental modeling and time-varying control of unknown nonlinear systems. The method combines elements of evolving intelligence, granular machine learning, and multi-variable control. We propose a State-Space Fuzzy-set-Based evolving Modeling (SS-FBeM) approach. The resulting fuzzy model is structurally and parametrically developed from a data stream with focus on memory and data coverage. The fuzzy controller also evolves, based on the data instances and fuzzy model parameters. Its local gains are redesigned in real-time – whenever the corresponding local fuzzy models change – from the solution of a linear matrix inequality problem derived from a fuzzy Lyapunov function and bounded input conditions. We have shown one-step prediction and asymptotic stabilization of the Henon chaos. © 2021, CC BY-NC-SA.

关键词： Fuzzy control

Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality

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arXiv 2024年

作者： Klatt, Michael A. Kim, Jaeuk Gartner, Thomas E. Torquato, Salvatore Institute for AI Safety and Security Wilhelm-Runge-Str. 10 Ulm89081 Germany Institute for Material Physics in Space Köln51170 Germany Department of Physics Ludwig-Maximilians-Universität München Schellingstr. 4 Munich80799 Germany Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Materials Institute Princeton University PrincetonNJ08544 United States Department of Chemical & Biomolecular Engineering Lehigh University BethlehemPA18015 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

The isothermal compressibility (i.e., the asymptotic number variance) of equilibrium liquid water as a function of temperature is minimal near ambient conditions. This anomalous non-monotonic temperature dependence is due to a balance between thermal fluctuations and the formation of tetrahedral hydrogen-bond networks. Since tetrahedrality is a many-body property, it will also influence the higher-order moments of density fluctuations, including the skewness and kurtosis. To gain a more complete picture, we examine these higher-order moments that encapsulate many-body correlations using a recently developed, advanced platform for local density fluctuations. We study an extensive set of simulated phases of water across a range of temperatures (80 K to 1600 K) with various degrees of tetrahedrality, including ice phases, equilibrium liquid water, supercritical water, and disordered nonequilibrium quenches. We find clear signatures of tetrahedrality in the higher-order moments, including the skewness and excess kurtosis, that scale for all cases with the degree of tetrahedrality. More importantly, this scaling behavior leads to non-monotonic temperature dependencies in the higher-order moments for both equilibrium and non-equilibrium phases. Specifically, at near-ambient conditions, the higher-order moments vanish most rapidly for large length scales, and the distribution quickly converges to a Gaussian in our metric. However, at non-ambient conditions, higher-order moments vanish more slowly and hence become more relevant especially for improving information-theoretic approximations of hydrophobic solubility. The temperature non-monotonicity that we observe in the full distribution across length-scales could shed light on water's nested anomalies, i.e., reveal new links between structural, dynamic, and thermodynamic anomalies. © 2024, CC BY-NC-ND.

关键词： Higher order statistics

Phase retrieval with holography and untrained priors: Tackling the challenges of low-photon nanoscale imaging

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arXiv 2020年

作者： Lawrence, Hannah Barmherzig, David A. Li, Henry Eickenberg, Michael Gabrié, Marylou Massachusetts Institute of Technology CambridgeMA United States Center for Computational Mathematics Flatiron Institute New YorkNY United States Program in Applied Mathematics Yale University Connecticut United States Center for Data Science New York University New YorkNY United States

Phase retrieval is the inverse problem of recovering a signal from magnitude-only Fourier measurements, and underlies numerous imaging modalities, such as Coherent Diffraction Imaging (CDI). A variant of this setup, known as holography, includes a reference object that is placed adjacent to the specimen of interest before measurements are collected. The resulting inverse problem, known as holographic phase retrieval, is well-known to have improved problem conditioning relative to the original. This innovation, i.e. Holographic CDI, becomes crucial at the nanoscale, where imaging specimens such as viruses, proteins, and crystals require low-photon measurements. This data is highly corrupted by Poisson shot noise, and often lacks low-frequency content as well. In this work, we introduce a dataset-free deep learning framework for holographic phase retrieval adapted to these challenges. The key ingredients of our approach are the explicit and flexible incorporation of the physical forward model into an automatic differentiation procedure, the Poisson log-likelihood objective function, and an optional untrained deep image prior. We perform extensive evaluation under realistic conditions. Compared to competing classical methods, our method recovers signal from higher noise levels and is more resilient to suboptimal reference design, as well as to large missing regions of low frequencies in the observations. Finally, we show that these properties carry over to experimental data acquired on optical wavelengths. To the best of our knowledge, this is the first work to consider a dataset-free machine learning approach for holographic phase retrieval. Copyright © 2020, The Authors. All rights reserved.

关键词： Holography

A Priori Estimates of the Population Risk for Residual Networks

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arXiv 2019年

作者： Weinan, E. Ma, Chao Wang, Qingcan Department of Mathematics Princeton University Program in Applied and Computational Mathematics Princeton University Beijing Institute of Big Data Research

Optimal a priori estimates are derived for the population risk, also known as the generalization error, of a regularized residual network model. An important part of the regularized model is the usage of a new path norm, called the weighted path norm, as the regularization term. The weighted path norm treats the skip connections and the nonlinearities differently so that paths with more nonlinearities are regularized by larger weights. The error estimates are a priori in the sense that the estimates depend only on the target function, not on the parameters obtained in the training process. The estimates are optimal, in a high dimensional setting, in the sense that both the bound for the approximation and estimation errors are comparable to the Monte Carlo error rates. A crucial step in the proof is to establish an optimal bound for the Rademacher complexity of the residual networks. Comparisons are made with existing norm-based generalization error bounds. Copyright © 2019, The Authors. All rights reserved.

关键词： Error analysis

A Comparative Analysis of Optimization and Generalization Properties of Two-layer Neural Network and Random Feature Models Under Gradient Descent Dynamics

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arXiv 2019年

作者： Weinan, E. Ma, Chao Wu, Lei Department of Mathematics Princeton University Program in Applied and Computational Mathematics Princeton University Beijing Institute of Big Data Research

A fairly comprehensive analysis is presented for the gradient descent dynamics for training two-layer neural network models in the situation when the parameters in both layers are updated. General initialization schemes as well as general regimes for the network width and training data size are considered. In the over-parametrized regime, it is shown that gradient descent dynamics can achieve zero training loss exponentially fast regardless of the quality of the labels. In addition, it is proved that throughout the training process the functions represented by the neural network model are uniformly close to that of a kernel method. For general values of the network width and training data size, sharp estimates of the generalization error is established for target functions in the appropriate reproducing kernel Hilbert *** Codes 41A99, 49M99 Copyright © 2019, The Authors. All rights reserved.

关键词： Gradient methods

Machine learning from a continuous viewpoint

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arXiv 2019年

作者： Weinan, E. Ma, Chao Wu, Lei Department of Mathematics Princeton University Program in Applied and Computational Mathematics Princeton University Beijing Institute of Big Data Research

We present a continuous formulation of machine learning, as a problem in the calculus of variations and differential-integral equations, very much in the spirit of classical numerical analysis and statistical physics. We demonstrate that conventional machine learning models and algorithms, such as the random feature model, the shallow neural network model and the residual neural network model, can all be recovered as particular discretizations of different continuous formulations. We also present examples of new models, such as the ow-based random feature model, and new algorithms, such as the smoothed particle method and spectral method, that arise naturally from this continuous formulation. We discuss how the issues of generalization error and implicit regularization can be studied under this framework. Copyright © 2019, The Authors. All rights reserved.

关键词： Machine learning

Analysis of the gradient descent algorithm for a deep neural network model with skip-connections

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arXiv 2019年

作者： Weinan, E. Ma, Chao Wang, Qingcan Wu, Lei Department of Mathematics Princeton University Program in Applied and Computational Mathematics Princeton University Beijing Institute of Big Data Research

The behavior of the gradient descent (GD) algorithm is analyzed for a deep neural network model with skip-connections. It is proved that in the over-parametrized regime, for a suitable initialization, with high probability GD can find a global minimum exponentially fast. Generalization error estimates along the GD path are also established. As a consequence, it is shown that when the target function is in the reproducing kernel Hilbert space (RKHS) with a kernel defined by the initialization, there exist generalizable earlystopping solutions along the GD path. In addition, it is also shown that the GD path is uniformly close to the functions given by the related random feature model. Consequently, in this \implicit regularization" setting, the deep neural network model deteriorates to a random feature model. Our results hold for neural networks of any width larger than the input dimension. Copyright © 2019, The Authors. All rights reserved.

关键词： Gradient methods