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71.
72.
图论、最优化理论显然在蛋白质结构的研究中大有用场. 首先, 调查/回顾了研究蛋白质结构的所有图论模型. 其后, 建立了一个图论模型: 让蛋白质的侧链来作为图的顶点, 应用图论的诸如团、 $k$-团、 社群、 枢纽、聚类等概念来建立图的边. 然后, 应用数学最优化的现代摩登数据挖掘算法/方法来分析水牛普里昂蛋白结构的大数据. 成功与令人耳目一新的数值结果将展示给朋友们. 相似文献
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74.
Models based on sparse graphs are of interest to many communities: they appear as basic models in combinatorics, probability theory, optimization, statistical physics, information theory, and more applied fields of social sciences and economics. Different notions of similarity (and hence convergence) of sparse graphs are of interest in different communities. In probability theory and combinatorics, the notion of Benjamini‐Schramm convergence, also known as left‐convergence, is used quite frequently. Statistical physicists are interested in the the existence of the thermodynamic limit of free energies, which leads naturally to the notion of right‐convergence. Combinatorial optimization problems naturally lead to so‐called partition convergence, which relates to the convergence of optimal values of a variety of constraint satisfaction problems. The relationship between these different notions of similarity and convergence is, however, poorly understood. In this paper we introduce a new notion of convergence of sparse graphs, which we call Large Deviations or LD‐convergence, and which is based on the theory of large deviations. The notion is introduced by “decorating” the nodes of the graph with random uniform i.i.d. weights and constructing corresponding random measures on and . A graph sequence is defined to be converging if the corresponding sequence of random measures satisfies the Large Deviations Principle with respect to the topology of weak convergence on bounded measures on . The corresponding large deviations rate function can be interpreted as the limit object of the sparse graph sequence. In particular, we can express the limiting free energies in terms of this limit object. We then establish that LD‐convergence implies the other three notions of convergence discussed above, and at the same time establish several previously unknown relationships between the other notions of convergence. In particular, we show that partition‐convergence does not imply left‐ or right‐convergence, and that right‐convergence does not imply partition‐convergence. © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 51, 52–89, 2017 相似文献
75.
Oscar Hernan Madrid-Padilla James Scott 《Journal of computational and graphical statistics》2017,26(3):537-546
We present an approach for penalized tensor decomposition (PTD) that estimates smoothly varying latent factors in multiway data. This generalizes existing work on sparse tensor decomposition and penalized matrix decompositions, in a manner parallel to the generalized lasso for regression and smoothing problems. Our approach presents many nontrivial challenges at the intersection of modeling and computation, which are studied in detail. An efficient coordinate-wise optimization algorithm for PTD is presented, and its convergence properties are characterized. The method is applied both to simulated data and real data on flu hospitalizations in Texas and motion-capture data from video cameras. These results show that our penalized tensor decomposition can offer major improvements on existing methods for analyzing multiway data that exhibit smooth spatial or temporal features. 相似文献
76.
Minh-Ngoc Tran David J. Nott Robert Kohn 《Journal of computational and graphical statistics》2017,26(4):873-882
Variational Bayes (VB) is rapidly becoming a popular tool for Bayesian inference in statistical modeling. However, the existing VB algorithms are restricted to cases where the likelihood is tractable, which precludes their use in many interesting situations such as in state--space models and in approximate Bayesian computation (ABC), where application of VB methods was previously impossible. This article extends the scope of application of VB to cases where the likelihood is intractable, but can be estimated unbiasedly. The proposed VB method therefore makes it possible to carry out Bayesian inference in many statistical applications, including state--space models and ABC. The method is generic in the sense that it can be applied to almost all statistical models without requiring too much model-based derivation, which is a drawback of many existing VB algorithms. We also show how the proposed method can be used to obtain highly accurate VB approximations of marginal posterior distributions. Supplementary material for this article is available online. 相似文献
77.
Richard Kueng Holger Rauhut Ulrich Terstiege 《Applied and Computational Harmonic Analysis》2017,42(1):88-116
We study the recovery of Hermitian low rank matrices from undersampled measurements via nuclear norm minimization. We consider the particular scenario where the measurements are Frobenius inner products with random rank-one matrices of the form for some measurement vectors , i.e., the measurements are given by . The case where the matrix to be recovered is of rank one reduces to the problem of phaseless estimation (from measurements ) via the PhaseLift approach, which has been introduced recently. We derive bounds for the number m of measurements that guarantee successful uniform recovery of Hermitian rank r matrices, either for the vectors , , being chosen independently at random according to a standard Gaussian distribution, or being sampled independently from an (approximate) complex projective t-design with . In the Gaussian case, we require measurements, while in the case of 4-designs we need . Our results are uniform in the sense that one random choice of the measurement vectors guarantees recovery of all rank r-matrices simultaneously with high probability. Moreover, we prove robustness of recovery under perturbation of the measurements by noise. The result for approximate 4-designs generalizes and improves a recent bound on phase retrieval due to Gross, Krahmer and Kueng. In addition, it has applications in quantum state tomography. Our proofs employ the so-called bowling scheme which is based on recent ideas by Mendelson and Koltchinskii. 相似文献
78.
We study the convex hull of a set arising as a relaxation of difficult convex mixed integer quadratic programs (MIQP). We characterize the extreme points of the convex hull of the set and the extreme points of its continuous relaxation. We derive four quadratic cutting surfaces that improve the strength of the continuous relaxation. Each of the cutting surfaces is second-order-cone representable. Via a shooting experiment, we provide empirical evidence as to the importance of each inequality type in improving the relaxation. Computational results that employ the new cutting surfaces to strengthen the relaxation for MIQPs arising from portfolio optimization applications are promising. 相似文献
79.
We study the convex hull of the intersection of a disjunctive set defined by parallel hyperplanes and the feasible set of a mixed integer second order cone optimization (MISOCO) problem. We extend our prior work on disjunctive conic cuts (DCCs), which has thus far been restricted to the case in which the intersection of the hyperplanes and the feasible set is bounded. Using a similar technique, we show that one can extend our previous results to the case in which that intersection is unbounded. We provide a complete characterization in closed form of the conic inequalities required to describe the convex hull when the hyperplanes defining the disjunction are parallel. 相似文献
80.
建立了安检流程的网络流模型,模型中包含了不稳定的乘客到达情形、嫌疑乘客以及反馈机制。分析了安检过程中的瓶颈所在,并给出了相应的优化方案,包括整个安检过程的通行规则,A区和B区内部预检节点与普通节点的适当比例等。仿真结果显示,为了充分利用安检资源并兼顾预检乘客的利益,通行规则应采用连通方案。依照统计数据中计算出的各种参数,在A区预检节点和普通节点比例设置为2∶2,B区预检节点和普通节点比例设置为3∶5的情况下,旅客平均等待时间最短,等待时间的标准差也最小,同时高峰期的通行量也相对较优。进一步分析了不同的文化背景及机场情况。对于美国人和瑞士人,通过改变预检乘客的选择概率来满足他们不同的行为偏好。仿真结果说明,预检乘客选择哪类节点进行安检对平均等待时间、等待时间的标准差和高峰期通行量的影响不大。分析了插队情形,插队对平均等待时间和高峰期通行量几乎没有影响,但当插队比例非常大时,旅客等待时间标准差会增加,影响乘客到达的准确性。最后,针对具体情况提出了一些合理的建议,并给出了进一步的研究计划。 相似文献