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IEEE Conference on Computer Vision and Pattern Recognition, CVPR 2015

作者： Özyeşil, Onur Singer, Amit Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544-1000 United States Department of Mathematics Princeton University PrincetonNJ08544-1000 United States

ISBN: (纸本)9781467369640

3D structure recovery from a collection of 2D images requires the estimation of the camera locations and orientations, i.e. the camera motion. For large, irregular collections of images, existing methods for the location estimation part, which can be formulated as the inverse problem of estimating n locations t1, t2,..., tn in 3 from noisy measurements of a subset of the pairwise directions ti-tj/||ti-tj||, are sensitive to outliers in direction measurements. In this paper, we firstly provide a complete characterization of well-posed instances of the location estimation problem, by presenting its relation to the existing theory of parallel rigidity. For robust estimation of camera locations, we introduce a two-step approach, comprised of a pairwise direction estimation method robust to outliers in point correspondences between image pairs, and a convex program to maintain robustness to outlier directions. In the presence of partially corrupted measurements, we empirically demonstrate that our convex formulation can even recover the locations exactly. Lastly, we demonstrate the utility of our formulations through experiments on Internet photo collections. © 2015 IEEE.

关键词： Convex optimization

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A qualitative study of the dynamic behavior for adaptive gradient algorithms

arXiv

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arXiv 2020年

作者： Ma, Chao Wu, Lei Weinan, E. Department of Mathematics Stanford University Program in Applied and Computational Mathematics Princeton University Program in Applied and Computational Mathematics Department of Mathematics Princeton University

The dynamic behavior of RMSprop and Adam algorithms is studied through a combination of careful numerical experiments and theoretical explanations. Three types of qualitative features are observed in the training loss curve: fast initial convergence, oscillations, and large spikes in the late phase. The sign gradient descent (signGD) flow, which is the limit of Adam when taking the learning rate to 0 while keeping the momentum parameters fixed, is used to explain the fast initial convergence. For the late phase of Adam, three different types of qualitative patterns are observed depending on the choice of the hyper-parameters: oscillations, spikes, and divergence. In particular, Adam converges much smoother and even faster when the values of the two momentum factors are close to each other. This observation is particularly important for scientific computing tasks, for which the training process usually proceeds into the high precision regime. Copyright © 2020, The Authors. All rights reserved.

关键词： Gradient methods

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Noisy Hegselmann-Krause systems: Phase transition and the 2R-conjecture 55

Noisy Hegselmann-Krause systems: Phase transition and the 2R...

引用

55th IEEE Conference on Decision and Control, CDC 2016

作者： Wang, Chu Li, Qianxiao Weinan, E. Chazelle, Bernard Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States Nokia Bell Labs 600 Mountain Avenue Murray HillNJ07974 United States Department of Mathematics Program in Applied and Computational Mathematics Princeton University NJ08540 United States Department of Computer Science Princeton University PrincetonNJ08540 United States

ISBN: (纸本)9781509018376

The classic Hegselmann-Krause (HK) model for opinion dynamics consists of a set of agents on the real line, each one instructed to move, at every time step, to the mass center of the agents within a fixed distance R. In this work, we investigate the effects of noise in the continuous-time version of the model as described by its mean-field Fokker-Planck equation. In the presence of a finite number of agents, the system exhibits a phase transition from order to disorder as the noise increases. We introduce an order parameter to track the phase transition and resolve the corresponding phase diagram. The system undergoes a phase transition for small R but none for larger R. Based on the stability analysis of the mean-field equation, we derive the existence of a forbidden zone for the disordered phase to emerge. We also provide a theoretical explanation for the well-known 2R conjecture, which states that, for a random initial distribution in a fixed interval, the final configuration consists of clusters separated by a distance of roughly 2R. Our theoretical analysis confirms previous simulations and predicts properties of the noisy HK model in higher dimension. © 2016 IEEE.

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An Iterative Thresholding Method for the Minimum Compliance Problem

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Communications in computational Physics 2023年第4期33卷 1189-1216页

作者： Luyu Cen Wei Hu Dong Wang Xiaoping Wang Department of Mathematics Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina The Program in Applied and Computational Mathematics Princeton UniversityPrincetonNew JerseyUSA School of Science and Engineering The Chinese University of Hong KongShenzhenGuangdong 518172China Shenzhen International Center for Industrial and Applied Mathematics Shenzhen Research Institute of Big DataGuangdong 518172China

In this paper,we propose a simple energy decaying iterative thresholding algorithm to solve the two-phase minimum compliance *** material domain is implicitly represented by its characteristic function,and the problem is formulated into a minimization problem by the principle of minimum complementary *** prove that the energy is decreasing in each *** effective continuation schemes are proposed to avoid trapping into the local *** results on 2D isotropic linear material demonstrate the effectiveness of the proposed methods.

关键词： Minimum compliance convolution thresholding linear elasticity

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Optimal frames and Newton's method

Optimal frames and Newton's method

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作者： Fickus, Matthew Mixon, Dustin G. Department of Mathematics Air Force Institute of Technology Wright-Patterson AFB OH 45433 United States Program in Applied and Computational Mathematics Princeton University Princeton NJ United States

Given a parametrized family of finite frames, we consider the optimization problem of finding the member of this family whose coefficient space most closely contains a given data vector. This nonlinear least squares problem arises naturally in the context of a certain type of radar system. We derive analytic expressions for the first and second partial derivatives of the objective function in question, permitting this optimization problem to be efficiently solved using Newton's method. We also consider how sensitive the location of this minimizer is to noise in the data vector. We further provide conditions under which one should expect the minimizer of this objective function to be unique. We conclude by discussing a related variational-calculus- based approach for solving this frame optimization problem over an interval of time. © 2012 Copyright.

关键词： Newton-Raphson method

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Nuclear Neural Networks: Emulating Late Burning Stages in Core Collapse Supernova Progenitors

arXiv

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arXiv 2025年

作者： Grichener, Aldana Renzo, Mathieu Kerzendorf, Wolfgang E. Farmer, Rob de Mink, Selma E. Bellinger, Earl Patrick Chan, Chi-Kwan Chen, Nutan Farag, Ebraheem Justham, Stephen Steward Steward Observatory Department of Astronomy University of Arizona 933 North Cherry Avenue TucsonAZ85721 United States Max Planck Institute for Astrophysics Karl-Schwarzschild-Str. 1 Garching85748 Germany Department of Physics Technion Haifa3200003 Israel Department of Computational Mathematics Science and Engineering Michigan State University East LansingMI48824 United States Department of Physics and Astronomy Michigan State University East LansingMI48824 United States Ludwig-Maximilians-Universitat Munchen Geschwister-Scholl-Platz 1 Munchen80539 Germany Department of Astronomy Yale University New HavenCT06511 United States Steward Observatory Department of Astronomy University of Arizona 933 North Cherry Avenue TucsonAZ85721 United States Data Science Institute University of Arizona 1230 N. Cherry Avenue TucsonAZ85721 United States Program in Applied Mathematics University of Arizona 617 North Santa Rita TucsonAZ85721 United States Machine Learning Research Lab Volkswagen AG Munich38440 Germany

One of the main challenges in modeling massive stars to the onset of core collapse is the computational bottleneck of nucleosynthesis during advanced burning stages. The number of isotopes formed requires solving a large set of fully-coupled stiff ordinary differential equations (ODEs), making the simulations computationally intensive and prone to numerical instability. To overcome this barrier, we design a nuclear neural network (NNN) framework with multiple hidden layers to emulate nucleosynthesis calculations and conduct a proof-of-concept to evaluate its performance. The NNN takes the temperature, density and composition of a burning region as input and predicts the resulting isotopic abundances along with the energy generation and loss rates. We generate training sets for initial conditions corresponding to oxygen core depletion and beyond using large nuclear reaction networks, and compare the predictions of the NNNs to results from a commonly used small net. We find that the NNNs improve the accuracy of the electron fraction by 280 − 660 % and the nuclear energy generation by 250 − 750 %, consistently outperforming the small network across all timesteps. They also achieve significantly better predictions of neutrino losses on relatively short timescales, with improvements ranging from 100 − 106 %. While further work is needed to enhance their accuracy and applicability to different stellar conditions, integrating NNN trained models into stellar evolution codes is promising for facilitating large-scale generation of core-collapse supernova (CCSN) progenitors with higher physical fidelity. © 2025, CC BY.

关键词： Nucleosynthesis

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Modelling the effect of changes in defect geometry on chemically active surfaces by the boundary element technique

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Surface Science 1988年第1-2期202卷 32-57页

作者： Peirce, Anthony P. Rabitz, Herschel Program in Applied and Computational Mathematics Princeton University Princeton NJ 08544 United States Department of Chemistry Princeton University Princeton NJ 08544 United States

The boundary element (BE) technique is used to analyze the effect of defect structures upon desorption processes on two-dimensional chemically active surfaces. The standard BE algorithm for diffusion is modified to incorporate the effects of bulk desorption, and an explicit scheme is proposed for the treatment of the non-linear equations associated with localized defect structures. The BE algorithm proposed here provides an elegant representation of the effects of localized non-linear reactions which allows arbitrarily oriented defect structures to be modelled without having to perform mesh deformation. A class of trapping reactions is assumed to occur along defect structures, and the effect of changes in defect geometry on the balance between the desorptive processes is explored. A number of interesting competitive/cooperative phenomena are observed to occur for the various shapes of defect geometry, including strong intrinsic competition in circular defect structures that form islands of nearly constant concentration, a redistribution of material along V-shaped defect structures in a way that reflects relative competitiveness of defects on opposite sides of the defect structure, and a reduction of competitiveness for defect distributions that are less regular in shape. The proposed BE algorithm is shown to provide a useful technique for modelling the effect of defect structures on chemically active surfaces. © 1988.

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DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials

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Journal of Physical Chemistry A 2022年第49期126卷 9154-9164页

作者： Li, Wenfei Ou, Qi Chen, Yixiao Cao, Yu Liu, Renxi Zhang, Chunyi Zheng, Daye Cai, Chun Wu, Xifan Wang, Han Chen, Mohan Zhang, Linfeng AI for Science Institute Beijing100080 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States HEDPS CAPT College of Engineering School of Physics Peking University Beijing100871 China Department of Physics Temple University PhiladelphiaPA19122 United States Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Huayuan Road 6 Beijing100088 China DP Technology Beijing100080 China

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for different levels of QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training an ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn-Sham (DeePKS), an ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model and then use the DeePKS model to label a much larger amount of configurations to train an ML potential. This scheme for periodic systems is implemented in a DFT package ABACUS, which is open source and ready for use in various applications. © 2022 The Journal of Physical Chemistry A. All right reserved.

关键词： Density functional theory

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mathematics for cryo-electron microscopy

arXiv

引用

arXiv 2018年

作者： Singer, Amit Department of Mathematics Program in Applied and Computational Mathematics Princeton University

Single-particle cryo-electron microscopy (cryo-EM) has recently joined X-ray crystallography and NMR spectroscopy as a high-resolution structural method for biological macromolecules. Cryo-EM was selected by Nature Methods as Method of the Year 2015, large scale investments in cryo-EM facilities are being made all over the world, and the Nobel Prize in Chemistry 2017 was awarded to Jacques Dubochet, Joachim Frank and Richard Henderson "for developing cryo-electron microscopy for the high-resolution structure determination of biomolecules in solution". This paper focuses on the mathematical principles underlying existing algorithms for structure determination using single particle cryo-EM.92C55, 68U10, 44A12, 62H12, 33C55, 90C22 Copyright © 2018, The Authors. All rights reserved.

关键词： Electron microscopes

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A New Time-Based Iterative Solver for Linear Standing-Wave Problems

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Journal of Scientific Computing 1999年第4期14卷 329-346页

作者： Ganguly, Kishor Orszag, Steven A. Program in Applied and Computational Mathematics Princeton University USA Department of Mathematics Yale University New Haven

We explore time-based solvers for linear standing-wave problems, especially the oscillatory Helmholtz equation. Here, we show how to accelerate the convergence properties of timestepping. We introduce a new time-based solver that we call phase-adjusted time-averaging (PATA), which we couple to timestepping to form the PATA-TS solver. Numerical experiments indicate that the PATA-TS solver is faster than the PATA solver and timestepping by a factor of 1.2 and 1.5 or more, respectively. We also explain why the PATA-TS solver is robust, efficient, and easy to program for a variety of practical applications.

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