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The Distance Geometry Problem (DGP) seeks to find positions for a set of points in geometric space when some distances between pairs of these points are known. The so-called discretization assumptions allow to discretize the search space of…

最优化与控制 · 数学 2021-07-02 Moira MacNeil , Merve Bodur

Quantum-chemical fragmentation methods offer an efficient approach for the treatment of large proteins, in particular if local target quantities such as protein--ligand interaction energies, enzymatic reaction energies, or spectroscopic…

化学物理 · 物理学 2024-07-17 Mario Wolter , Moritz von Looz , Henning Meyerhenke , Christoph R. Jacob

Constraint programming (CP) is a powerful tool for modeling mathematical concepts and objects and finding both solutions or counter examples. One of the major strengths of CP is that problems can easily be combined or expanded. In this…

离散数学 · 计算机科学 2025-01-29 Ruth Hoffmann , Özgür Akgün , Christopher Jefferson

Assembly-based tools provide a powerful modeling paradigm for non-expert shape designers. However, choosing a component from a large shape repository and aligning it to a partial assembly can become a daunting task. In this paper we…

图形学 · 计算机科学 2018-07-05 Minhyuk Sung , Hao Su , Vladimir G. Kim , Siddhartha Chaudhuri , Leonidas Guibas

This paper introduces a new extension of Riemannian elastic curve matching to a general class of geometric structures, which we call (weighted) shape graphs, that allows for shape registration with partial matching constraints and…

最优化与控制 · 数学 2025-01-07 Yashil Sukurdeep , Martin Bauer , Nicolas Charon

We propose a convex-concave programming approach for the labeled weighted graph matching problem. The convex-concave programming formulation is obtained by rewriting the weighted graph matching problem as a least-square problem on the set…

计算机视觉与模式识别 · 计算机科学 2008-10-27 Mikhail Zaslavskiy , Francis Bach , Jean-Philippe Vert

In this paper, we investigate the hybridization of constraint programming and local search techniques within a large neighbourhood search scheme for solving highly constrained nurse rostering problems. As identified by the research, a…

人工智能 · 计算机科学 2009-10-08 Fang He , Rong Qu

Many real-world problems can be formulated as the alignment between two geometric patterns. Previously, a great amount of research focus on the alignment of 2D or 3D patterns in the field of computer vision. Recently, the alignment problem…

计算机视觉与模式识别 · 计算机科学 2023-07-11 Hu Ding , Wenjie Liu , Mingquan Ye

A wide range of problems can be modelled as constraint satisfaction problems (CSPs), that is, a set of constraints that must be satisfied simultaneously. Constraints can either be represented extensionally, by explicitly listing allowed…

人工智能 · 计算机科学 2015-02-10 Evgenij Thorstensen

Disjunctive Answer Set Programming (ASP) is a powerful declarative programming paradigm whose main decision problems are located on the second level of the polynomial hierarchy. Identifying tractable fragments and developing efficient…

人工智能 · 计算机科学 2017-01-02 Bernhard Bliem , Sebastian Ordyniak , Stefan Woltran

Domain-specific constraint patterns are introduced, which form the counterpart to design patterns in software engineering for the constraint programming setting. These patterns describe the expert knowledge and best-practice solution to…

软件工程 · 计算机科学 2022-06-07 Sophia Saller , Jana Koehler

Correspondence is a ubiquitous problem in computer vision and graph matching has been a natural way to formalize correspondence as an optimization problem. Recently, graph matching solvers have included higher-order terms representing…

计算机视觉与模式识别 · 计算机科学 2014-05-27 Mayank Bansal , Kostas Daniilidis

In object segmentation by active contours, the initial contour is often required. Conventionally, the initial contour is provided by the user. This paper extends the conventional active contour model by incorporating feature matching in the…

计算机视觉与模式识别 · 计算机科学 2013-07-25 Junyan Wang , Kap Luk Chan

Numerical analysis has no satisfactory method for the more realistic optimization models. However, with constraint programming one can compute a cover for the solution set to arbitrarily close approximation. Because the use of constraint…

数值分析 · 数学 2025-10-20 M. H. van Emden , B. Moa

Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networks on string representations of molecules and fine-tune them…

Discovering significant itemsets is one of the fundamental problems in data mining. It has recently been shown that constraint programming is a flexible way to tackle data mining tasks. With a constraint programming approach, we can easily…

人工智能 · 计算机科学 2018-02-09 Christian Bessiere , Nadjib Lazaar , Yahia Lebbah , Mehdi Maamar

Understanding the macroscopic characteristics of biological complexes demands precision and specificity in statistical ensemble modeling. One of the primary challenges in this domain lies in sampling from particular subsets of the…

机器学习 · 计算机科学 2023-07-11 Justin Diamond , Markus Lill

The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing goal for quantum chemists. Traditional fragment embedding…

化学物理 · 物理学 2022-10-11 Hong-Zhou Ye , Matthew Welborn , Nathan D. Ricke , Troy Van Voorhis

Stochastic optimization algorithms update models with cheap per-iteration costs sequentially, which makes them amenable for large-scale data analysis. Such algorithms have been widely studied for structured sparse models where the sparsity…

机器学习 · 计算机科学 2019-05-10 Baojian Zhou , Feng Chen , Yiming Ying

The problem of discovering frequent itemsets including rare ones has received a great deal of attention. The mining process needs to be flexible enough to extract frequent and rare regularities at once. On the other hand, it has recently…

人工智能 · 计算机科学 2021-09-17 Mohamed-Bachir Belaid , Nadjib Lazaar