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Protein Folding on Lattices: An Integer Programming Approach 格上的蛋白质折叠:一种整数规划方法
Pub Date : 2002-09-24 DOI: 10.2139/SSRN.2154543
V. Chandru, M. Rao, G. Swaminathan
In this paper, we initiate the study of the protein folding problem from an integer linear programming perspective. The particular variant of protein folding that we examine is known as the hydrophobic-hydrophilic (HP) model of protein folding on the integer lattice. This problem is known to be NP-hard and also maxSNP-hard. We examine various alternate formulations for the planar version of this problem and present some preliminary computational results. Hopefully, this sets the stage for a polyhedral combinatorics assault on this important problem.
本文从整数线性规划的角度出发,研究了蛋白质折叠问题。我们研究的蛋白质折叠的特殊变体被称为蛋白质在整数晶格上折叠的疏水-亲水性(HP)模型。这个问题被称为NP-hard和maxSNP-hard。我们研究了这个问题的平面版本的各种替代公式,并提出了一些初步的计算结果。希望这能为多面体组合学对这个重要问题的研究奠定基础。
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引用次数: 2
Relaxing Perfectness: Which Graphs Are "Almost" Perfect? 令人放松的完美:哪些图表“几乎”完美?
Pub Date : 2002-01-22 DOI: 10.1137/1.9780898718805.ch7
Annegret K. Wagler
For all perfect graphs, the stable set polytope STAB$(G)$ coincides with the fractional stable set polytope QSTAB$(G)$, whereas STAB$(G) subset$ QSTAB$(G)$ holds iff $G$ is imperfect. Padberg asked in the early seventies for ``almost'' perfect graphs. He characterized those graphs for which the difference between STAB$(G)$ and QSTAB$(G)$ is smallest possible. We develop this idea further and define three polytopes between STAB$(G)$ and QSTAB$(G)$ by allowing certain sets of cutting planes only to cut off all the fractional vertices of QSTAB$(G)$. The difference between QSTAB$(G)$ and the largest of the three polytopes coinciding with STAB$(G)$ gives some information on the stage of imperfectness of the graph~$G$. We obtain a nested collection of three superclasses of perfect graphs and survey which graphs are known to belong to one of those three superclasses. This answers the question: which graphs are ``almost'' perfect?
对于所有完美图,稳定集多面体STAB$(G)$与分数稳定集多面体QSTAB$(G)$重合,而当$G$不完美时,STAB$(G) 子集$ QSTAB$(G)$成立。70年代初,帕德伯格要求绘制“近乎”完美的图。他描述了那些STAB$(G)$和QSTAB$(G)$之间的差异尽可能小的图。我们进一步发展了这一思想,并在STAB$(G)$和QSTAB$(G)$之间定义了三个多面体,通过允许某些切割平面集只切割QSTAB$(G)$的所有分数顶点。QSTAB$(G)$与与STAB$(G)$重合的三个多面体中最大的多面体之间的差异给出了图~$G$不完美阶段的一些信息。我们得到了完美图的三个超类的嵌套集合,并调查了已知哪些图属于这三个超类之一。这就回答了一个问题:哪些图表是“近乎”完美的?
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引用次数: 13
On the Expansion of Graphs of 0/1-Polytopes 关于0/1-多面体图的展开
Pub Date : 2001-12-14 DOI: 10.1137/1.9780898718805.ch13
V. Kaibel
The edge expansion of a graph is the minimum quotient of the number of edges in a cut and the size of the smaller one among the two node sets separated by the cut. Bounding the edge expansion from below is important for bounding the ``mixing time'' of a random walk on the graph from above. It has been conjectured by Mihail and Vazirani that the graph of every 0/1-polytope has edge expansion at least one. A proof of this (or even a weaker) conjecture would imply solutions of several long-standing open problems in the theory of randomized approximate counting. We present different techniques for bounding the edge expansion of a 0/1-polytope from below. By means of these tools we show that several classes of 0/1-polytopes indeed have graphs with edge expansion at least one. These classes include all 0/1-polytopes of dimension at most five, all simple 0/1-polytopes, all hypersimplices, all stable set polytopes, and all (perfect) matching polytopes.
图的边展开是切的边数与被切分开的两个节点集中较小的边的大小之最小商。从下面边界扩展的边界对于从上面的图上随机游走的“混合时间”的边界是很重要的。Mihail和Vazirani推测,每一个0/1多面体的图都至少有一个边展开。对这个猜想(甚至是一个较弱的猜想)的证明将意味着随机近似计数理论中几个长期存在的开放问题的解决方案。我们从下面给出了0/1多面体边缘展开边界边界的不同技术。通过这些工具,我们证明了若干类0/1多面体确实具有至少一个边展开的图。这些类包括所有不超过5维的0/1多面体、所有简单0/1多面体、所有超简单体、所有稳定集多面体和所有(完美)匹配多面体。
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引用次数: 34
(1, 2)-Survivable Networks: Facets and Branch-and-Cut (1, 2)-可生存网络:切面和分支切割
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch9
H. Kerivin, A. Mahjoub, Charles Nocq
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引用次数: 11
Typical and Extremal Linear Programs 典型和极值线性规划
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch14
G. Ziegler
Viewed geometrically, the simplex algorithm on a (primally and dually non-degenerate) linear program traces a monotone edge path from the starting vertex to the (unique) optimum. Which path it takes depends on the pivot rule. In this paper we survey geometric and combinatorial aspects of the situation: How do “real” linear programs and their polyhedra look like? How long can simplex paths be in the worst case? Do short paths always exist? Can we expect randomized pivot rules (such as Random Edge) or deterministic rules (such as Zadeh’s rule) to find short paths? MSC 2000. 90C05, 52B11
从几何上看,单纯形算法在一个(原始和对偶非退化)线性规划上沿着一条从起始点到(唯一)最优点的单调边缘路径。它走哪条路取决于枢轴法则。在本文中,我们调查了这种情况的几何和组合方面:“真正的”线性规划和它们的多面体是什么样的?最坏情况下单纯形路径的长度是多少?短路径总是存在吗?我们能指望随机枢轴规则(如Random Edge)或确定性规则(如Zadeh规则)找到短路径吗?2000年MSC。90 c05 52 b11
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引用次数: 6
Bicolorings and Equitable Bicolorings of Matrices 矩阵的双着色与公平双着色
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch4
M. Conforti, G. Cornuéjols, G. Zambelli
Two classical theorems of Ghouila-Houri and Berge characterize total unimodularity and balancedness in terms of equitable bicolorings and bicolorings, respectively. In this paper, we prove a bicoloring result that provides a common generalization of these two theorems.
Ghouila-Houri和Berge的两个经典定理分别从双色和双色的角度描述了全单模性和平衡性。在本文中,我们证明了一个双着色结果,它提供了这两个定理的一个共同推广。
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引用次数: 1
Computing Optimal Consecutive Ones Matrices 计算最优连续一矩阵
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch11
M. Oswald, G. Reinelt
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引用次数: 3
Combinatorial Packing Problems 组合包装问题
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch3
R. Borndörfer
This article investigates a certain class of combinatorial packing problems and some polyhedral relations between such problems and the set packing problem.
研究了一类组合布局问题及其与集合布局问题的多面体关系。
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引用次数: 5
Cardinality Homogeneous Set Systems, Cycles in Matroids, and Associated Polytopes 基数齐次集合系统,拟阵中的环,以及相关的多面体
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch8
M. Grötschel
A subset ${cal C}$ of the power set of a finite set $E$ is called cardinality homogeneous if, whenever ${cal C}$ contains some set $F$, ${cal C}$ contains all subsets of $E$ of cardinality $|F|$. Examples of such set systems ${cal C}$ are the sets of circuits and the sets of cycles of uniform matroids and the sets of all even or of all odd cardinality subsets of $E$. With each cardinality homogeneous set system ${cal C}$, we associate the polytope $P({cal C})$, the convex hull of the incidence vectors of all sets in ${cal C}$, and provide a complete and nonredundant linear description of $P({cal C})$. We show that a greedy algorithm optimizes any linear function over $P({cal C})$, give an explicit optimum solution of the dual linear program, and provide a polynomial time separation algorithm for the class of polytopes of type $P({cal C})$.
有限集$E$的幂集${cal C}$的子集${cal C}$称为基数齐次,如果当${cal C}$包含某个集合$F$时,${cal C}$包含基数$|F|$ E$的所有子集。这样的集合系统${cal}$的例子是一致拟阵的电路集和循环集以及$E$的所有偶数或所有奇基数子集的集合。对于每一个基数齐次集合系统${cal C}$,我们关联了多面体$P({cal C})$、${cal C}$中所有集合的关联向量的凸包,并给出了$P({cal C})$的一个完备的、非冗余的线性描述。我们证明了贪心算法对P({cal C})$上的任何线性函数都是最优的,给出了对偶线性规划的显式最优解,并给出了一类P({cal C})$的多项式时间分离算法。
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引用次数: 14
The Steinberg Wiring Problem 斯坦伯格布线问题
Pub Date : 1900-01-01 DOI: 10.1137/1.9780898718805.ch17
Nathan W. Brixius, K. Anstreicher
In a paper Leon Steinberg described a backboard wiring problem that has resisted solution for years The problem concerns the placement of computer components so as to minimize the total amount of wiring required to connect them In the particular instance considered by Steinberg components with a total of interconnections are to be placed on a backboard with open positions The geometry of the backboard is illustrated in Figure To formulate the wiring problem mathematically it is convenient to add dummy components with no connections to any others so that the numbers of components and locations are both n Letting aik be the number of wires that connect components i and k bjl be the distance between locations j and l on the backboard and doubling the objective the problem can be written in the form
利昂·斯坦伯格的一篇论文中描述了一个篮板布线问题,拒绝解决问题的多年关注计算机部件的位置,以减少布线连接它们所需的总量在特定实例斯坦伯格认为组件的连接将被放在一个外张开的几何位置挡板如图制定数学方便添加连接问题假设aik为连接组件i和k的导线数,bjl为背板上位置j和l之间的距离,将目标加倍,问题可以写成
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引用次数: 30
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The Sharpest Cut
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