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Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

软凝聚态物质 · 物理学 2025-09-23 Jayashrita Debnath , Gerhard Hummer

Analog quantum computation offers a route to machine learning using controllable physical dynamics as a computational resource. However, many existing approaches rely on task-specific protocols or observables that are difficult to access…

量子物理 · 物理学 2026-05-12 Shmuel Lorber , Yonatan Dubi

Co-clustering targets on grouping the samples (e.g., documents, users) and the features (e.g., words, ratings) simultaneously. It employs the dual relation and the bilateral information between the samples and features. In many realworld…

机器学习 · 计算机科学 2016-11-18 Ping Li , Jiajun Bu , Chun Chen , Zhanying He , Deng Cai

Multitask learning (MTL) aims to develop a unified model that can handle a set of closely related tasks simultaneously. By optimizing the model across multiple tasks, MTL generally surpasses its non-MTL counterparts in terms of…

Multiple kernel methods less consider the intrinsic manifold structure of multiple kernel data and estimate the consensus kernel matrix with quadratic number of variables, which makes it vulnerable to the noise and outliers within multiple…

机器学习 · 计算机科学 2024-10-22 Liang Du , Xin Ren , Haiying Zhang , Peng Zhou

Clustering traditionally aims to reveal a natural grouping structure within unlabeled data. However, this structure may not always align with users' preferences. In this paper, we propose a personalized clustering method that explicitly…

机器学习 · 计算机科学 2025-05-28 Xiwen Geng , Suyun Zhao , Yixin Yu , Borui Peng , Pan Du , Hong Chen , Cuiping Li , Mengdie Wang

Traditional click-through rate (CTR) prediction models convert the tabular data into one-hot vectors and leverage the collaborative relations among features for inferring the user's preference over items. This modeling paradigm discards…

信息检索 · 计算机科学 2023-12-19 Xiangyang Li , Bo Chen , Lu Hou , Ruiming Tang

Spectral clustering is known as a powerful technique in unsupervised data analysis. The vast majority of approaches to spectral clustering are driven by a single modality, leaving the rich information in multi-modal representations…

计算机视觉与模式识别 · 计算机科学 2026-03-17 Bo Peng , Yuanwei Hu , Bo Liu , Ling Chen , Jie Lu , Zhen Fang

Ensuring that predicted probabilities align with observed frequencies is critical in high-stakes domains such as clinical decision support, autonomous driving and financial risk assessment. Existing calibration methods typically apply a…

机器学习 · 计算机科学 2026-05-26 Tomer Lavi , Bracha Shapira , Nadav Rappoport

Spectral clustering requires the time-consuming decomposition of the Laplacian matrix of the similarity graph, thus limiting its applicability to large datasets. To improve the efficiency of spectral clustering, a top-down approach was…

机器学习 · 计算机科学 2024-12-19 Zhichang Xu , Zhiguo Long , Hua Meng

This article concerns the dimension reduction in regression for large data set. We introduce a new method based on the sliced inverse regression approach, called cluster-based regularized sliced inverse regression. Our method not only keeps…

应用统计 · 统计学 2013-12-03 Yue Yu , Zhihong Chen , Jie Yang

Spectral clustering (SC) and graph-based semi-supervised learning (SSL) algorithms are sensitive to how graphs are constructed from data. In particular if the data has proximal and unbalanced clusters these algorithms can lead to poor…

机器学习 · 统计学 2013-02-22 Jing Qian , Venkatesh Saligrama

Kernel Regularized Least Squares (KRLS) is a popular method for flexibly estimating models that may have complex relationships between variables. However, its usefulness to many researchers is limited for two reasons. First, existing…

机器学习 · 统计学 2023-09-12 Qing Chang , Max Goplerud

In this work a robust clustering algorithm for stationary time series is proposed. The algorithm is based on the use of estimated spectral densities, which are considered as functional data, as the basic characteristic of stationary time…

Recently, clustering moving object trajectories kept gaining interest from both the data mining and machine learning communities. This problem, however, was studied mainly and extensively in the setting where moving objects can move freely…

机器学习 · 统计学 2015-11-05 Mohamed Khalil El Mahrsi , Romain Guigourès , Fabrice Rossi , Marc Boullé

In many real-world applications, continuous machine learning (ML) systems are crucial but prone to data drift, a phenomenon where discrepancies between historical training data and future test data lead to significant performance…

机器学习 · 计算机科学 2024-11-26 Vennela Yarabolu , Govind Waghmare , Sonia Gupta , Siddhartha Asthana

We introduce a new clustering method for the classification of functional data sets by their probabilistic law, that is, a procedure that aims to assign data sets to the same cluster if and only if the data were generated with the same…

统计方法学 · 统计学 2023-12-29 Antonio Galves , Fernando Najman , Marcela Svarc , Claudia D. Vargas

Convex clustering has recently garnered increasing interest due to its attractive theoretical and computational properties, but its merits become limited in the face of high-dimensional data. In such settings, pairwise affinity terms that…

统计方法学 · 统计学 2021-04-02 Saptarshi Chakraborty , Jason Xu

Clustering is a popular unsupervised learning tool often used to discover groups within a larger population such as customer segments, or patient subtypes. However, despite its use as a tool for subgroup discovery and description - few…

机器学习 · 计算机科学 2021-12-13 Connor Lawless , Jayant Kalagnanam , Lam M. Nguyen , Dzung Phan , Chandra Reddy

Statistical approaches for Functional Data Analysis concern the paradigm for which the individuals are functions or curves rather than finite dimensional vectors. In this paper, we particularly focus on the modeling and the classification…

统计方法学 · 统计学 2013-12-30 Faicel Chamroukhi , Hervé Glotin