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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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Data Structures and Algorithms · Computer Science 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…

Machine Learning · Computer Science 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…

Hardware Architecture · Computer Science 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…

Distributed, Parallel, and Cluster Computing · Computer Science 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…

Data Structures and Algorithms · Computer Science 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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Data Structures and Algorithms · Computer Science 2024-09-05 João N. F. Alves , Samir Moustafa , Siegfried Benkner , Alexandre P. Francisco , Wilfried N. Gansterer , Luís M. S. Russo

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…

Quantitative Methods · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Numerical Analysis · Mathematics 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…

Machine Learning · Statistics 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…

Data Structures and Algorithms · Computer Science 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…

Databases · Computer Science 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…

Machine Learning · Statistics 2017-06-13 Steven Van Vaerenbergh , Simone Scardapane , Ignacio Santamaria