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We present an unsupervised data processing workflow that is specifically designed to obtain a fast conformational clustering of long molecular dynamics simulation trajectories. In this approach we combine two dimensionality reduction…

化学物理 · 物理学 2023-08-09 Simon Hunkler , Kay Diederichs , Oleksandra Kukharenko , Christine Peter

We develop an application of SOM for the task of anomaly detection and visualization. To remove the effect of exogenous independent variables, we use a correction model which is more accurate than the usual one, since we apply different…

应用统计 · 统计学 2015-08-19 Anastasios Bellas , Charles Bouveyron , Marie Cottrell , Jerome Lacaille

This paper proposes Relational Similarity Machines (RSM): a fast, accurate, and flexible relational learning framework for supervised and semi-supervised learning tasks. Despite the importance of relational learning, most existing methods…

机器学习 · 统计学 2016-08-03 Ryan A. Rossi , Rong Zhou , Nesreen K. Ahmed

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

计算物理 · 物理学 2013-11-20 R. Meyer

We study fast algorithms for computing fundamental properties of a positive semidefinite kernel matrix $K \in \mathbb{R}^{n \times n}$ corresponding to $n$ points $x_1,\ldots,x_n \in \mathbb{R}^d$. In particular, we consider estimating the…

数据结构与算法 · 计算机科学 2021-06-21 Arturs Backurs , Piotr Indyk , Cameron Musco , Tal Wagner

Modern neural network-based algorithms are able to produce highly accurate depth estimates from stereo image pairs, nearly matching the reliability of measurements from more expensive depth sensors. However, this accuracy comes with a…

计算机视觉与模式识别 · 计算机科学 2019-03-13 Kyle Yee , Ayan Chakrabarti

We develop fast spectral algorithms for tensor decomposition that match the robustness guarantees of the best known polynomial-time algorithms for this problem based on the sum-of-squares (SOS) semidefinite programming hierarchy. Our…

机器学习 · 计算机科学 2017-06-28 Tselil Schramm , David Steurer

Kohonen's Adaptive Subspace Self-Organizing Map (ASSOM) learns several subspaces of the data where each subspace represents some invariant characteristics of the data. To deal with the imbalance classification problem, earlier we have…

信号处理 · 电气工程与系统科学 2020-10-08 Chin-Teng Lin , Kuan-Chih Huang , Yu-Ting Liu , Yang-Yin Lin , Tsung-Yu Hsieh , Nikhil R. Pal , Shang-Lin Wu , Chieh-Ning Fang , Zehong Cao

Physically-based overland flow models are computationally demanding, hindering their use for real-time applications. Therefore, the development of fast (and reasonably accurate) overland flow models is needed if they are to be used to…

计算机与社会 · 计算机科学 2018-10-08 Joao P. Leitao , Mohamed Zaghloul , Vahid Moosavi

This paper introduces a novel and efficient partitioning technique for quicksort, specifically designed for real-world data with duplicate elements (50-year-old problem). The method is referred to as "equal quicksort" or "eqsort". Based on…

数据结构与算法 · 计算机科学 2025-03-12 Parviz Afereidoon

Sharpness-Aware Minimization (SAM) is an optimization method that improves generalization performance of machine learning models. Despite its superior generalization, SAM has not been actively used in real-world applications due to its…

机器学习 · 计算机科学 2025-03-17 Junhyuk Jo , Jihyun Lim , Sunwoo Lee

Graphs are widely used to model complicated data semantics in many application domains. In this paper, two novel and efficient algorithms Fast-ON and Fast-P are proposed for solving the subgraph isomorphism problem. The two algorithms are…

数据结构与算法 · 计算机科学 2019-04-19 Mosab Hassaan , Karam Gouda

Clustering problems have numerous applications and are becoming more challenging as the size of the data increases. In this paper, we consider designing clustering algorithms that can be used in MapReduce, the most popular programming…

分布式、并行与集群计算 · 计算机科学 2011-09-09 Alina Ene , Sungjin Im , Benjamin Moseley

Many computer vision problems are formulated as the optimization of a cost function. This approach faces two main challenges: (i) designing a cost function with a local optimum at an acceptable solution, and (ii) developing an efficient…

计算机视觉与模式识别 · 计算机科学 2019-04-15 Jayakorn Vongkulbhisal , Fernando De la Torre , João P. Costeira

Homography estimation between multiple aerial images can provide relative pose estimation for collaborative autonomous exploration and monitoring. The usage on a robotic system requires a fast and robust homography estimation algorithm. In…

计算机视觉与模式识别 · 计算机科学 2018-02-22 Ty Nguyen , Steven W. Chen , Shreyas S. Shivakumar , Camillo J. Taylor , Vijay Kumar

In many research fields, the sizes of the existing datasets vary widely. Hence, there is a need for machine learning techniques which are well-suited for these different datasets. One possible technique is the self-organizing map (SOM), a…

机器学习 · 计算机科学 2020-01-09 Felix M. Riese , Sina Keller

Parametric search has been widely used in geometric algorithms. Cole's improvement provides a way of saving a logarithmic factor in the running time over what is achievable using the standard method. Unfortunately, this improvement comes at…

数据结构与算法 · 计算机科学 2013-06-14 Michael T. Goodrich , Paweł Pszona

The performance of the Self-Organizing Map (SOM) algorithm is dependent on the initial weights of the map. The different initialization methods can broadly be classified into random and data analysis based initialization approach. In this…

机器学习 · 统计学 2012-10-23 A. A. Akinduko , E. M. Mirkes

Fast and high quality document clustering is an important task in organizing information, search engine results obtaining from user query, enhancing web crawling and information retrieval. With the large amount of data available and with a…

信息检索 · 计算机科学 2010-03-11 Alok Ranjan , Harish Verma , Eatesh Kandpal , Joydip Dhar

A linear-complexity algorithm for computing the Wasserstein-1 distance on non-uniform meshes is proposed. This work extends the fast Sinkhorn algorithms from [Q. Liao et al., Commun. Math. Sci., 20(2022)] and [Q. Liao et al., J. Sci.…

数值分析 · 数学 2026-05-27 Qihao Cheng , Qichen Liao , Hao Wu , Shuai Yang