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In molecular structure data, SMILES (Simplified Molecular Input Line Entry System) strings are used to analyze molecular structure design. Numerical feature representation of SMILES strings is a challenging task. This work proposes a…

机器学习 · 计算机科学 2024-12-20 Sarwan Ali , Haris Mansoor , Prakash Chourasia , Imdad Ullah Khan , Murray Patterson

Motivated by the problem of fast processing of attention matrices, we study fast algorithms for computing matrix-vector products for asymmetric Gaussian Kernel matrices $K\in \mathbb{R}^{n\times n}$. $K$'s columns are indexed by a set of…

机器学习 · 计算机科学 2025-08-01 Piotr Indyk , Michael Kapralov , Kshiteej Sheth , Tal Wagner

k-mers (nucleotide strings of length k) form the basis of several algorithms in computational genomics. In particular, k-mer abundance information in sequence data is useful in read error correction, parameter estimation for genome…

数据结构与算法 · 计算机科学 2016-09-20 Naveen Sivadasan , Rajgopal Srinivasan , Kshama Goyal

Sequence classification has numerous applications in various fields. Despite extensive studies in the last decades, many challenges still exist, particularly in pattern-based methods. Existing pattern-based methods measure the…

机器学习 · 计算机科学 2023-10-23 Junjie Dong , Mudi Jiang , Lianyu Hu , Zengyou He

Graph Neural Networks (GNNs) have emerged as the state-of-the-art (SOTA) method for graph-based learning tasks. However, it still remains prohibitively challenging to inference GNNs over large graph datasets, limiting their application to…

硬件体系结构 · 计算机科学 2021-09-21 Yongan Zhang , Haoran You , Yonggan Fu , Tong Geng , Ang Li , Yingyan Lin

General Matrix Multiplication (GEMM) is a crucial algorithm for various applications such as machine learning and scientific computing, and an efficient GEMM implementation is essential for the performance of these systems. While…

分布式、并行与集群计算 · 计算机科学 2023-05-03 Shixun Wu , Yujia Zhai , Jinyang Liu , Jiajun Huang , Zizhe Jian , Bryan M. Wong , Zizhong Chen

Multiple Set Membership Testing (MSMT) is a well-known problem in a variety of search and query applications. Given a dataset of K different sets and a query q, it aims to find all of the sets containing the query. Trivially, an MSMT…

数据结构与算法 · 计算机科学 2020-07-21 Gaurav Gupta , Minghao Yan , Benjamin Coleman , R. A. Leo Elworth , Tharun Medini , Todd Treangen , Anshumali Shrivastava

In order to fully utilize "big data", it is often required to use "big models". Such models tend to grow with the complexity and size of the training data, and do not make strong parametric assumptions upfront on the nature of the…

机器学习 · 统计学 2015-04-17 Vikas Sindhwani , Haim Avron

In recent years, kernel-based sparse coding (K-SRC) has received particular attention due to its efficient representation of nonlinear data structures in the feature space. Nevertheless, the existing K-SRC methods suffer from the lack of…

机器学习 · 计算机科学 2019-03-14 Babak Hosseini , Barbara Hammer

Kernel $k$-means clustering is a powerful tool for unsupervised learning of non-linearly separable data. Since the earliest attempts, researchers have noted that such algorithms often become trapped by local minima arising from…

机器学习 · 统计学 2020-11-13 Debolina Paul , Saptarshi Chakraborty , Swagatam Das , Jason Xu

Background: Advances in high throughput sequencing technologies provide a huge number of genomes to be analyzed. Thus, computational methods play a crucial role in analyzing and extracting knowledge from the data generated. Investigating…

The inference and training stages of Graph Neural Networks (GNNs) are often dominated by the time required to compute a long sequence of matrix multiplications between the sparse graph adjacency matrix and its embedding. To accelerate these…

Estimating the abundances of all $k$-mers in a set of biological sequences is a fundamental and challenging problem with many applications in biological analysis. While several methods have been designed for the exact or approximate…

定量方法 · 定量生物学 2019-02-28 Leonardo Pellegrina , Cinzia Pizzi , Fabio Vandin

Kernel segmentation aims at partitioning a data sequence into several non-overlapping segments that may have nonlinear and complex structures. In general, it is formulated as a discrete optimization problem with combinatorial constraints. A…

机器学习 · 计算机科学 2022-06-23 Tung Doan , Atsuhiro Takasu

Many different simulation methods for Stokes flow problems involve a common computationally intense task -- the summation of a kernel function over $O(N^2)$ pairs of points. One popular technique is the Kernel Independent Fast Multipole…

数值分析 · 数学 2021-09-07 Wen Yan , Robert Blackwell

Building highly non-linear and non-parametric models is central to several state-of-the-art machine learning systems. Kernel methods form an important class of techniques that induce a reproducing kernel Hilbert space (RKHS) for inferring…

机器学习 · 统计学 2017-11-16 Huan Song , Jayaraman J. Thiagarajan , Prasanna Sattigeri , Andreas Spanias

Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and…

Longest Common Subsequence ($LCS$) deals with the problem of measuring similarity of two strings. While this problem has been analyzed for decades, the recent interest stems from a practical observation that considering single characters is…

数据结构与算法 · 计算机科学 2018-05-25 Filip Pavetić , Ivan Katanić , Gustav Matula , Goran Žužić , Mile Šikić

Large scale analytics engines have become a core dependency for modern data-driven enterprises to derive business insights and drive actions. These engines support a large number of analytic jobs processing huge volumes of data on a daily…

数据库 · 计算机科学 2024-01-03 Brandon Haynes , Rana Alotaibi , Anna Pavlenko , Jyoti Leeka , Alekh Jindal , Yuanyuan Tian

In kernel methods, temporal information on the data is commonly included by using time-delayed embeddings as inputs. Recently, an alternative formulation was proposed by defining a gamma-filter explicitly in a reproducing kernel Hilbert…

机器学习 · 统计学 2017-06-13 Steven Van Vaerenbergh , Simone Scardapane , Ignacio Santamaria