Protein sequence design is a natural inverse problem to protein structure prudish: given a target structure in three dimensions, we wish to design an amino acid sequence that is likely fold to it. A model of Sun, Brem...
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Protein sequence design is a natural inverse problem to protein structure prudish: given a target structure in three dimensions, we wish to design an amino acid sequence that is likely fold to it. A model of Sun, Brem, Chan, and Dill casts this problem as an optimization on a space of sequences of hydrophobic (H) and polar (P) monomers;the goal is to find a sequence which achieves a dense hydrophobic core with few solvent-exposed hydrophobic residues. Sun et al. developed a heuristic method to search the space of sequences, without a guarantee of optimality or near-optimality;Hart subsequently raised the computational tractability of constructing an optimal sequence in this model as an open question. Here we resolve this question by providing an efficient algorithm to construct optimal sequences;our algorithm has a polynomial running time, and performs very efficiently in practice. We illustrate the implementation of our method on structures drawn from the Protein data Bank. We also consider extensions of the model to larger amino acid alphabets, as a way to overcome the limitations of the binary H/P alphabet. We show that for a natural class of arbitrarily large alphabets, it remains possible to design optimal sequences efficiently. Finally, we analyze some of the consequences of this sequence design model for the study of evolutionary fitness landscapes. A given target structure may have many sequences that are optimal in the model of Sun et al.;following a notion raised by the work of J. Maynard Smith, we can ask whether these optimal sequences are `connected' by successive point mutations. We provide a polynomial-time algorithm to decide this connectedness property, relative to a given target structure. We develop the algorithm by first solving an analogous problem expressed in terms of submodular functions, a fundamental object of study in combinatorial optimization.
We address the problem of designing datastructures that allow efficient search for approximate nearest neighbors. More specifically, given a database consisting of a set of vectors in some high dimensional Euclidean ...
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ISBN:
(纸本)9780897919623
We address the problem of designing datastructures that allow efficient search for approximate nearest neighbors. More specifically, given a database consisting of a set of vectors in some high dimensional Euclidean space, we want to construct a space-efficientdata structure that would allow us to search, given a query vector, for the closest or nearly closest vector in the database. We also address this problem when distances are measured by the L1 norm, and in the Hamming cube. Significantly improving and extending recent results of Kleinberg, we construct datastructures whose size is polynomial in the size of the database, and search algorithms that run in time nearly linear or nearly quadratic in the dimension (depending on the case;the extra factors are polylogarithmic in the size of the database).
In the management of spatio-temporal data, a data structure must manage multiple versions of a data structure efficiently, and provide quick and flexible search methods not only for temporal or spatial queries, but al...
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In the management of spatio-temporal data, a data structure must manage multiple versions of a data structure efficiently, and provide quick and flexible search methods not only for temporal or spatial queries, but also for the combined queries of spatial and temporal intervals. The persistent MD-tree, called the PMD-tree is developed by extending a hierarchical data structure to support accesses to multiple versions. The PMD-tree has the novel properties that the tree representing any time aspect of a data structure is always balanced, and that the storage utilization rate is more than 66.6%. The algorithms of the PMD-tree, space and time analyses, and search performances compared to the MD-tree are described in the paper.
We present a novel out-of-core technique for the interactive computation of isosurfaces from volume data. Our algorithm minimizes the main memory and disk space requirements on the visualization workstation, while spe...
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We present a novel out-of-core technique for the interactive computation of isosurfaces from volume data. Our algorithm minimizes the main memory and disk space requirements on the visualization workstation, while speeding up isosurface extraction queries. Our overall approach is a two-level indexing scheme. First, by our meta-cell technique, we partition the original dataset into clusters of cells, called meta-cells. Secondly, we produce meta-intervals associated with the meta-cells, and build an indexing data structure on the meta-intervals. We separate the cell information, kept only in meta-cells on disk, from the indexing structure, which is also on disk and only contains pointers to meta-cells. Our meta-cell technique is an I/O-efficient approach for computing a k-d-tree-like partition of the dataset. Our indexing data structure, the binary blocked I/O interval tree, is a new I/O-optimal data structure to perform stabbing queries that report from a set of meta-intervals (or intervals) those containing a query value q. Our tree is simpler to implement, and is also more space-efficient in practice than existing structures. To perform an isosurface query, we first query the indexing structure, and then use the reported meta-cell pointers to read from disk the active meta-cells intersected by the isosurface. The isosurface itself can then be generated from active meta-cells. Rather than being a single cost indexing approach, our technique exhibits a smooth trade-off between query time and disk space.
In this paper a method based on the use of zero-suppressed BDDs (0-Sup-BDDs) to symbolic state space exploration of parallel controllers is presented. Unlike traditional methods, the new approach is based on the impli...
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In this paper a method based on the use of zero-suppressed BDDs (0-Sup-BDDs) to symbolic state space exploration of parallel controllers is presented. Unlike traditional methods, the new approach is based on the implicit manipulation of sets of states instead of the manipulation of their characteristic functions. A formal specification of the parallel controller is given in the form of an interpreted Petri net. Experimental results demonstrate that the proposed approach can successfully compete against the state of the art methods of state space exploration.
space partitioning techniques are a useful means of organizing geometric models into datastructures. Such datastructures provide easy and efficient access to a wide range of computer graphics and visualization appli...
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ISBN:
(纸本)0818680768
space partitioning techniques are a useful means of organizing geometric models into datastructures. Such datastructures provide easy and efficient access to a wide range of computer graphics and visualization applications like real-time rendering of large data bases, collision detection, point classification, etc. Binary space Partitioning (BSP) trees are one of the most successful space partitioning techniques, since they allow both object modeling and classification in one single structure. However, with the advent of networked graphics applications there is an increasing need for multiresolution geometric representations. This paper presents a novel method that extends BSP trees to provide such a representation. The models we present have the advantages of both BSP trees and multiresolution representations. Nodes near the room of the BSP tree store coarser versions of the geometry, while leaf nodes provide the finest details of the representation. We present in this paper different algorithms to construct multiresolution BSP trees in 2D. Then we propose extensions of our methods to 3D space.
The paper describes concept and implementation of a data cache architecture with concurrent conflict free access to shared data for DSPs with parallel, synchronized processing units. It utilizes techniques known from ...
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ISBN:
(纸本)0780342291
The paper describes concept and implementation of a data cache architecture with concurrent conflict free access to shared data for DSPs with parallel, synchronized processing units. It utilizes techniques known from object-oriented software design to achieve efficient and programmer friendly on-chip storage of data. The cache internally uses virtual 1D or 2D address spaces directly assigned to datastructures instead of a conventional, linear address space. data within the cache are distributed to a number of memory banks. Virtual local addresses are used for data location and hit/miss detection to minimize cost and memory latency. The object-oriented cache is fully transparent to programmer and compiler, reduces the amount of address calculations to be performed, exploits the 2D spatial locality typical for image processing algorithms and can be integrated into a standard RISC processor pipeline.
We examine new I/O-efficient techniques for indexing problems in constraint and temporal data models. We present algorithms for these problems that are considerably simpler than previous solutions. Our solutions are u...
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ISBN:
(纸本)3540622225
We examine new I/O-efficient techniques for indexing problems in constraint and temporal data models. We present algorithms for these problems that are considerably simpler than previous solutions. Our solutions are unique in the sense that they only use B+-trees rather than special-purpose datastructures. Indexing for many general constraint data models can be reduced to interval intersection. We present a new algorithm for this problem using a query-time/space tradeoff, which achieves the optimal query time O(log(B)n + t/B) I/O's in linear space O(n/B) using B+-trees. (Here, n is the number of intervals, t the number of intervals in the output of a query, and B the disk block size.) It is easy to update this data structure, but small worst-case bounds do not seem possible. Previous approaches have achieved these bounds but are fairly complex and rely mostly on reducing the interval intersection problem to special cases of two-dimensional search. Some of them can also handle updates in O(log(B)n) I/O's amortized. Indexing in many temporal models becomes a generalization of interval management, where each temporal object is characterized by an interval and a key. There are many different ways of querying these objects, and we achieve optimal bounds for many of these queries. These bounds are achieved using a modification of the technique used for the constraint indexing problem. Our technique is much simpler than other techniques that have been used for achieving similar bounds.
Providing efficient support for interactive operations such as fast-forward and fast-backward is essential in video-on-demand and other multimedia server systems. The authors present two basic approaches for schedulin...
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ISBN:
(纸本)0818678194
Providing efficient support for interactive operations such as fast-forward and fast-backward is essential in video-on-demand and other multimedia server systems. The authors present two basic approaches for scheduling interactive operations, the prefetching approach and the grouping approach. Scheduling algorithms are presented for both fine-grain and coarse-grain data blocks. These algorithms can precisely schedule video streams for both normal playout and interactive operations.
The paper describes concept and implementation of a data cache architecture with concurrent conflict free access to shared data for DSPs with parallel, synchronized processing units. It utilizes techniques known from ...
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The paper describes concept and implementation of a data cache architecture with concurrent conflict free access to shared data for DSPs with parallel, synchronized processing units. It utilizes techniques known from object-oriented software design to achieve efficient and programmer friendly on-chip storage of data. The cache internally uses virtual 1D or 2D address spaces directly assigned to datastructures instead of a conventional, linear address space. data within the cache are distributed to a number of memory banks. Virtual local addresses are used for data location and hit/miss detection to minimize cost and memory latency. The object-oriented cache is fully transparent to programmer and compiler, reduces the amount of address calculations to be performed, exploits the 2D spatial locality typical for image processing algorithms and can be integrated into a standard RISC processor pipeline.
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