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Gradient-domain machine learning (GDML) is an accurate and efficient approach to learn a molecular potential and associated force field based on the kernel ridge regression algorithm. Here, we demonstrate its application to learn an…

计算物理 · 物理学 2020-06-24 Jiang Wang , Stefan Chmiela , Klaus-Robert Müller , Frank Noè , Cecilia Clementi

Most existing multi-kernel clustering algorithms, such as multi-kernel K-means, often struggle with computational efficiency and robustness when faced with complex data distributions. These challenges stem from their dependence on…

机器学习 · 计算机科学 2025-08-12 Shuyin Xia , Yifan Wang , Lifeng Shen , Guoyin Wang

Deep learning (DL) is one of the most prominent branches of machine learning. Due to the immense computational cost of DL workloads, industry and academia have developed DL libraries with highly-specialized kernels for each…

Most real-world classification problems deal with imbalanced datasets, posing a challenge for Artificial Intelligence (AI), i.e., machine learning algorithms, because the minority class, which is of extreme interest, often proves difficult…

Pricing actuaries typically operate within the framework of generalized linear models (GLMs). With the upswing of data analytics, our study puts focus on machine learning methods to develop full tariff plans built from both the frequency…

应用统计 · 统计学 2020-03-04 Roel Henckaerts , Marie-Pier Côté , Katrien Antonio , Roel Verbelen

One iteration of standard $k$-means (i.e., Lloyd's algorithm) or standard EM for Gaussian mixture models (GMMs) scales linearly with the number of clusters $C$, data points $N$, and data dimensionality $D$. In this study, we explore whether…

机器学习 · 统计学 2018-04-18 Dennis Forster , Jörg Lücke

Quantum kernels (QK) are widely used in quantum machine learning applications; yet, their potential to surpass classical machine learning methods on classical datasets remains uncertain. This limitation can be attributed to the exponential…

量子物理 · 物理学 2025-07-29 Roberto Flórez-Ablan , Marco Roth , Jan Schnabel

Traditional decision tree algorithms are explainable but struggle with non-linear, high-dimensional data, limiting its applicability in complex decision-making. Neural networks excel at capturing complex patterns but sacrifice…

机器学习 · 计算机科学 2024-11-14 Sichao Xiong , Yigit Ihlamur , Fuat Alican , Aaron Ontoyin Yin

Recent studies on transfer learning have shown that selectively fine-tuning a subset of layers or customizing different learning rates for each layer can greatly improve robustness to out-of-distribution (OOD) data and retain generalization…

计算机视觉与模式识别 · 计算机科学 2023-03-29 Junjiao Tian , Xiaoliang Dai , Chih-Yao Ma , Zecheng He , Yen-Cheng Liu , Zsolt Kira

Gradient boosting is widely popular due to its flexibility and predictive accuracy. However, statistical inference and uncertainty quantification for gradient boosting remain challenging and under-explored. We propose a unified framework…

机器学习 · 统计学 2025-09-30 Haimo Fang , Kevin Tan , Giles Hooker

Natural gradient has been recently introduced to the field of boosting to enable the generic probabilistic predication capability. Natural gradient boosting shows promising performance improvements on small datasets due to better training…

机器学习 · 计算机科学 2019-12-06 Liliang Ren , Gen Sun , Jiaman Wu

Recent papers have used machine learning architecture to fit low-order functional ANOVA models with main effects and second-order interactions. These GAMI (GAM + Interaction) models are directly interpretable as the functional main effects…

机器学习 · 统计学 2023-09-06 Linwei Hu , Soroush Aramideh , Jie Chen , Vijayan N. Nair

Models trained on data composed of different groups or domains can suffer from severe performance degradation under distribution shifts. While recent methods have largely focused on optimizing the worst-group objective, this often comes at…

机器学习 · 计算机科学 2024-06-06 Hoang Phan , Andrew Gordon Wilson , Qi Lei

In this paper, we formulate a new generalized reference kernel hoping to improve the original base kernel using a set of reference vectors. Depending on the selected reference vectors, our formulation shows similarities to approximate…

机器学习 · 计算机科学 2022-05-05 Jenni Raitoharju , Alexandros Iosifidis

The efficiency of GPU kernels is central to the progress of modern AI, yet optimizing them remains a difficult and labor-intensive task due to complex interactions between memory hierarchies, thread scheduling, and hardware-specific…

人工智能 · 计算机科学 2025-10-21 Juncheng Dong , Yang Yang , Tao Liu , Yang Wang , Feng Qi , Vahid Tarokh , Kaushik Rangadurai , Shuang Yang

Kernel-based clustering algorithms have the ability to capture the non-linear structure in real world data. Among various kernel-based clustering algorithms, kernel k-means has gained popularity due to its simple iterative nature and ease…

计算机视觉与模式识别 · 计算机科学 2014-02-18 Radha Chitta , Rong Jin , Timothy C. Havens , Anil K. Jain

Gradient boosted trees and other regression tree models perform well in a wide range of real-world, industrial applications. These tree models (i) offer insight into important prediction features, (ii) effectively manage sparse data, and…

As the size of large language models (LLMs) continues to grow, model compression without sacrificing accuracy has become a crucial challenge for deployment. While some quantization methods, such as GPTQ, have made progress in achieving…

机器学习 · 计算机科学 2023-12-14 Liang Li , Qingyuan Li , Bo Zhang , Xiangxiang Chu

Effective and controllable data selection is critical for LLM instruction tuning, especially with massive open-source datasets. Existing approaches primarily rely on instance-level quality scores, or diversity metrics based on embedding…

计算与语言 · 计算机科学 2026-01-21 Zihan Niu , Wenping Hu , Junmin Chen , Xiyue Wang , Tong Xu , Ruiming Tang

Modern database management systems (DBMS) expose hundreds of configurable knobs to control system behaviours. Determining the appropriate values for these knobs to improve DBMS performance is a long-standing problem in the database…

数据库 · 计算机科学 2024-12-02 Jiale Lao , Yibo Wang , Yufei Li , Jianping Wang , Yunjia Zhang , Zhiyuan Cheng , Wanghu Chen , Mingjie Tang , Jianguo Wang