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Good a-priori bounds on the smallest pairwise distance $r_{\rm{{min}}}(\mbox{LJ}_N^{\rm{gmin}})$ for a three-dimensional (3D) Lennard-Jones $N$-body cluster of globally minimal energy can significantly reduce the computational search space…

Atomic and Molecular Clusters · Physics 2025-11-20 Michael K. -H. Kiessling , David J. Wales

In this paper, we present a local information theoretic approach to explicitly learn probabilistic clustering of a discrete random variable. Our formulation yields a convex maximization problem for which it is NP-hard to find the global…

Machine Learning · Computer Science 2018-10-12 David Qiu , Anuran Makur , Lizhong Zheng

Sparse optimization is a central problem in machine learning and computer vision. However, this problem is inherently NP-hard and thus difficult to solve in general. Combinatorial search methods find the global optimal solution but are…

Optimization and Control · Mathematics 2020-06-30 Ganzhao Yuan , Li Shen , Wei-Shi Zheng

This paper explores the problem of clustering ensemble, which aims to combine multiple base clusterings to produce better performance than that of the individual one. The existing clustering ensemble methods generally construct a…

Machine Learning · Computer Science 2020-12-17 Yuheng Jia , Hui Liu , Junhui Hou , Qingfu Zhang

Text clustering holds significant value across various domains due to its ability to identify patterns and group related information. Current approaches which rely heavily on a computed similarity measure between documents are often limited…

Information Retrieval · Computer Science 2025-04-09 Laurence Hirsch , Robin Hirsch , Bayode Ogunleye

A critical piece of the modern information retrieval puzzle is approximate nearest neighbor search. Its objective is to return a set of $k$ data points that are closest to a query point, with its accuracy measured by the proportion of exact…

Information Retrieval · Computer Science 2024-07-15 Thomas Vecchiato , Claudio Lucchese , Franco Maria Nardini , Sebastian Bruch

Contrary to conventional wisdom, the construction of clusters on a lattice can easily be vectorized, namely over each ``generation'' in a breadth first search. This applies directly to, e.g., the {\it single cluster} variant of the…

High Energy Physics - Lattice · Physics 2007-05-23 Hans Gerd Evertz

Maximum inner product search (MIPS) over dense and sparse vectors have progressed independently in a bifurcated literature for decades; the latter is better known as top-$k$ retrieval in Information Retrieval. This duality exists because…

Information Retrieval · Computer Science 2024-05-20 Sebastian Bruch , Franco Maria Nardini , Amir Ingber , Edo Liberty

An effective indexing scheme for clusters that enables fast structure comparison and congruence check is desperately desirable in the field of mathematics, artificial intelligence, materials science, etc. Here we introduce the concept of…

Materials Science · Physics 2016-07-15 Longguang Liao , Yu-Jun Zhao , Zexian Cao , Xiaobao Yang

Motivated by recent work in computational social choice, we extend the metric distortion framework to clustering problems. Given a set of $n$ agents located in an underlying metric space, our goal is to partition them into $k$ clusters,…

Computer Science and Game Theory · Computer Science 2024-02-07 Jakob Burkhardt , Ioannis Caragiannis , Karl Fehrs , Matteo Russo , Chris Schwiegelshohn , Sudarshan Shyam

The problem of sequentially finding an independent and identically distributed (i.i.d.) sequence that is drawn from a probability distribution $f_1$ by searching over multiple sequences, some of which are drawn from $f_1$ and the others of…

Information Theory · Computer Science 2013-12-10 Jun Geng , Weiyu Xu , Lifeng Lai

Efficient Maximum Inner Product Search (MIPS) is an important task that has a wide applicability in recommendation systems and classification with a large number of classes. Solutions based on locality-sensitive hashing (LSH) as well as…

Machine Learning · Computer Science 2015-12-01 Alex Auvolat , Sarath Chandar , Pascal Vincent , Hugo Larochelle , Yoshua Bengio

Given a point set S and an unknown metric d on S, we study the problem of efficiently partitioning S into k clusters while querying few distances between the points. In our model we assume that we have access to one versus all queries that…

Data Structures and Algorithms · Computer Science 2011-05-10 Konstantin Voevodski , Maria-Florina Balcan , Heiko Roglin , Shang-Hua Teng , Yu Xia

This paper concerns the minimization of the composition of a nonsmooth convex function and a $\mathcal{C}^{1,1}$ mapping $F$ over a $\mathcal{C}^2$-smooth embedded closed submanifold $\mathcal{M}$. For this class of nonconvex and nonsmooth…

Optimization and Control · Mathematics 2026-05-12 Hao He , Ruyu Liu , Yitian Qian , Shaohua Pan

Given a family ${\mathcal F}$ of shapes in the plane, we study what is the lowest possible density of a point set $P$ that pierces (``intersects'', ``hits'') all translates of each shape in ${\mathcal F}$. For instance, if ${\mathcal F}$…

Computational Geometry · Computer Science 2025-10-28 Adrian Dumitrescu , Arsenii Sagdeev , Josef Tkadlec

The nearest lattice point problem in $\mathbb{R}^n$ is formulated in a distributed network with $n$ nodes. The objective is to minimize the probability that an incorrect lattice point is found, subject to a constraint on inter-node…

Information Theory · Computer Science 2024-09-17 V. A. Vaishampayan , M. F. Bollauf

Dual decomposition provides a tractable framework for designing algorithms for finding the most probable (MAP) configuration in graphical models. However, for many real-world inference problems, the typical decomposition has a large…

Data Structures and Algorithms · Computer Science 2012-10-19 David Sontag , Do Kook Choe , Yitao Li

The method of Hol\'y, Sokol and \v{C}ern\'y (Applied Soft Computing, 2017, Vol. 60, p. 752-762) clusters objects based on their incidence in a large number of given sets. The idea is to minimize the occurrence of multiple objects from the…

Artificial Intelligence · Computer Science 2021-02-03 Ondřej Sokol , Vladimír Holý

Classical spin liquids are frustrated magnetic phases characterized by local constraints, flat bands in reciprocal space, and emergent gauge structures with distinctive signatures such as pinch points. These arise generally in \emph{cluster…

Strongly Correlated Electrons · Physics 2026-03-17 Naïmo Davier

We study a class of rearrangement problems under a novel pick-n-swap prehensile manipulation model, in which a robotic manipulator, capable of carrying an item and making item swaps, is tasked to sort items stored in lattices of variable…

Robotics · Computer Science 2023-01-18 Jingjin Yu
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