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A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic…

Statistical Mechanics · Physics 2009-11-07 Igor Omelyan , Ihor Mryglod , Reinhard Folk

We propose a novel approach to site-resolved detection of a 2D gas of ultracold atoms in an optical lattice. A near resonant laser beam is coherently scattered by the atomic array and its interference pattern is holographically recorded by…

Self-assembly of complex and functional materials remains a grand challenge in soft material science. Efficient assembly depends on a delicate balance between thermodynamic and kinetic effects, requiring fine-tuning affinities and…

Soft Condensed Matter · Physics 2024-11-14 Wei-Shao Wei , Anthony Trubiano , Christian Sigl , Stefan Paquay , Hendrik Dietz , Michael F. Hagan , Seth Fraden

The global optimization of atomic clusters represents a fundamental challenge in computational chemistry and materials science due to the exponential growth of local minima with system size (i.e., the curse of dimensionality). We introduce…

In this paper, we present a disassemble-and-pack approach for a mechanism to seek a box which contains total mechanical parts with high space utilization. Its key feature is that mechanism contains not only geometric shapes but also…

Computational Geometry · Computer Science 2018-01-09 Mingyuan Li , Xiaoheng Jiang , Ningbo Gu , Weiwei Xu , Junxiao Xue , Bing Zhou , Mingliang Xu

Modern 3D printing technologies and the upcoming mass-customization paradigm call for efficient methods to produce and distribute arbitrarily-shaped 3D objects. This paper introduces an original algorithm to split a 3D model in parts that…

Graphics · Computer Science 2021-04-13 Marco Attene

Tensors or multiarray data are generalizations of matrices. Tensor clustering has become a very important research topic due to the intrinsically rich structures in real-world multiarray datasets. Subspace clustering based on vectorizing…

Computer Vision and Pattern Recognition · Computer Science 2015-04-30 Yanfeng Sun , Junbin Gao , Xia Hong , Bamdev Mishra , Baocai Yin

Biclustering, also known as co-clustering or two-way clustering, simultaneously partitions the rows and columns of a data matrix to reveal submatrices with coherent patterns. Incorporating background knowledge into clustering to enhance…

Optimization and Control · Mathematics 2026-02-24 Antonio M. Sudoso

It is NP-complete to find non-negative factors $W$ and $H$ with fixed rank $r$ from a non-negative matrix $X$ by minimizing $\|X-WH^\top\|_F^2$. Although the separability assumption (all data points are in the conical hull of the extreme…

Quantum Physics · Physics 2018-02-23 Yuxuan Du , Tongliang Liu , Yinan Li , Runyao Duan , Dacheng Tao

This paper describes in detail the bitonic sort algorithm,and implements the bitonic sort algorithm based on cuda architecture.At the same time,we conduct two effective optimization of implementation details according to the characteristics…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-10-31 Qi Mu , Liqing Cui , Yufei Song

In object detection, post-processing methods like Non-maximum Suppression (NMS) are widely used. NMS can substantially reduce the number of false positive detections but may still keep some detections with low objectness scores. In order to…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Angzhi Fan , Benjamin Ticknor , Yali Amit

In this study we propose a hybrid estimation of distribution algorithm (HEDA) to solve the joint stratification and sample allocation problem. This is a complex problem in which each the quality of each stratification from the set of all…

Methodology · Statistics 2022-01-12 Mervyn O'Luing , Steven Prestwich , S. Armagan Tarim

The linear combination of atomic orbitals (LCAO) method uses a small basis set in exchange for expensive matrix element calculations. The most efficient approximation for the matrix element calculations is the two-center approximation (2CA)…

Materials Science · Physics 2025-10-16 Tyler C. Sterling

We analyzed the performance of a biologically inspired algorithm called the Corrected Projections Algorithm (CPA) when a sparseness constraint is required to unambiguously reconstruct an observed signal using atoms from an overcomplete…

Numerical Analysis · Computer Science 2017-03-24 Gonzalo H Otazu

The Euler Elastica (EE) model with surface curvature can generate artifact-free results compared with the traditional total variation regularization model in image processing. However, strong nonlinearity and singularity due to the…

Optimization and Control · Mathematics 2023-08-28 Zhifang Liu , Baochen Sun , Xue-Cheng Tai , Qi Wang , Huibin Chang

Convex clustering is a modern method with both hierarchical and $k$-means clustering characteristics. Although convex clustering can capture complex clustering structures hidden in data, the existing convex clustering algorithms are not…

Machine Learning · Statistics 2023-12-22 Daniel J. W. Touw , Patrick J. F. Groenen , Yoshikazu Terada

With the aggressive scaling of VLSI technology, the explosion of layout patterns creates a critical bottleneck for DFM applications like OPC. Pattern clustering is essential to reduce data complexity, yet existing methods struggle with…

Hardware Architecture · Computer Science 2025-12-16 Shuo Liu

With the development of computing technology, CUDA has become a very important tool. In computer programming, sorting algorithm is widely used. There are many simple sorting algorithms such as enumeration sort, bubble sort and merge sort.…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-29 Hongyu Meng , Fangjin Guo

Controlling crystalline material defects is crucial, as they affect properties of the material that may be detrimental or beneficial for the final performance of a device. Defect analysis on the sub-nanometer scale is enabled by…

Materials Science · Physics 2021-06-03 Nik Dennler , Antonio Foncubierta-Rodriguez , Titus Neupert , Marilyne Sousa

Clustering is an unsupervised machine learning task that consists of identifying groups of similar objects. It has numerous applications and is increasingly used in fairness-sensitive domains where objects represent individuals, such as…

Machine Learning · Computer Science 2026-05-14 Claudio Mantuano , Manuel Kammermann , Philipp Baumann
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