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The Gaussian process (GP) regression can be severely biased when the data are contaminated by outliers. This paper presents a new robust GP regression algorithm that iteratively trims the most extreme data points. While the new algorithm…

Machine Learning · Computer Science 2021-06-15 Zhao-Zhou Li , Lu Li , Zhengyi Shao

Constrained clustering leverages limited domain knowledge to improve clustering performance and interpretability, but incorporating pairwise must-link and cannot-link constraints is an NP-hard challenge, making global optimization…

Machine Learning · Computer Science 2025-10-28 Pedro Chumpitaz-Flores , My Duong , Cristobal Heredia , Kaixun Hua

Scalable Gaussian process (GP) inference is essential for sequential decision-making tasks, yet improving GP scalability remains a challenging problem with many open avenues of research. This paper focuses on iterative GPs, where iterative…

Machine Learning · Computer Science 2025-11-21 Alan Yufei Dong , Jihao Andreas Lin , José Miguel Hernández-Lobato

Graph clustering has many important applications in computing, but due to the increasing sizes of graphs, even traditionally fast clustering methods can be computationally expensive for real-world graphs of interest. Scalability problems…

Social and Information Networks · Computer Science 2018-10-18 Kimon Fountoulakis , David F. Gleich , Michael W. Mahoney

Gradient Boosted Decision Trees (GBDTs) are widely used for building ranking and relevance models in search and recommendation. Considerations such as latency and interpretability dictate the use of as few features as possible to train…

Machine Learning · Statistics 2021-09-07 Cuize Han , Nikhil Rao , Daria Sorokina , Karthik Subbian

Data-driven modeling plays an increasingly important role in different areas of engineering. For most of existing methods, such as genetic programming (GP), the convergence speed might be too slow for large scale problems with a large…

Optimization and Control · Mathematics 2017-06-29 Chen Chen , Changtong Luo , Zonglin Jiang

Graph condensation (GC) has gained significant attention for its ability to synthesize smaller yet informative graphs. However, existing studies often overlook the robustness of GC in scenarios where the original graph is corrupted. In such…

Machine Learning · Computer Science 2025-11-25 Jiayi Luo , Qingyun Sun , Beining Yang , Haonan Yuan , Xingcheng Fu , Yanbiao Ma , Jianxin Li , Philip S. Yu

This paper introduces a promising alternative method for training Generative Adversarial Networks (GANs) on large-scale datasets with clear theoretical guarantees. GANs are typically learned through a minimax game between a generator and a…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Chang Wan , Ke Fan , Xinwei Sun , Yanwei Fu , Minglu Li , Yunliang Jiang , Zhonglong Zheng

In many numerical schemes, the computational complexity scales non-linearly with the problem size. Solving a linear system of equations using direct methods or most iterative methods is a typical example. Algebraic multi-grid (AMG) methods…

Numerical Analysis · Mathematics 2020-11-20 Reza Namazi , Arsham Zolanvari , Mahdi Sani , Seyed Amir Ali Ghafourian Ghahramani

Kernel continual learning by \citet{derakhshani2021kernel} has recently emerged as a strong continual learner due to its non-parametric ability to tackle task interference and catastrophic forgetting. Unfortunately its success comes at the…

Machine Learning · Computer Science 2021-12-28 Mohammad Mahdi Derakhshani , Xiantong Zhen , Ling Shao , Cees G. M. Snoek

Improving generalization and achieving highly predictive, robust machine learning models necessitates learning the underlying causal structure of the variables of interest. A prominent and effective method for this is learning invariant…

Machine Learning · Computer Science 2024-11-12 Jawad Chowdhury , Gabriel Terejanu

This paper presents a novel accelerated exact k-means algorithm called the Ball k-means algorithm, which uses a ball to describe a cluster, focusing on reducing the point-centroid distance computation. The Ball k-means can accurately find…

Machine Learning · Computer Science 2020-05-05 Shuyin Xia , Daowan Peng , Deyu Meng , Changqing Zhang , Guoyin Wang , Zizhong Chen , Wei Wei

Sampling equilibrium molecular configurations from the Boltzmann distribution is a longstanding challenge. Boltzmann Generators (BGs) address this by combining exact-likelihood generative models with importance sampling, but practical…

Machine Learning · Computer Science 2026-05-29 Weilong Chen , Bojun Zhao , Jan Eckwert , Julija Zavadlav

The rapid growth of graph data poses significant challenges in storage, transmission, and particularly the training of graph neural networks (GNNs). To address these challenges, graph condensation (GC) has emerged as an innovative solution.…

Machine Learning · Computer Science 2025-01-28 Xinyi Gao , Junliang Yu , Tong Chen , Guanhua Ye , Wentao Zhang , Hongzhi Yin

In real-world classification tasks, each class often comprises multiple finer-grained "subclasses." As the subclass labels are frequently unavailable, models trained using only the coarser-grained class labels often exhibit highly variable…

Machine Learning · Computer Science 2022-04-12 Nimit S. Sohoni , Jared A. Dunnmon , Geoffrey Angus , Albert Gu , Christopher Ré

In this contribution, we present a full overview of the continuous stochastic gradient (CSG) method, including convergence results, step size rules and algorithmic insights. We consider optimization problems in which the objective function…

Optimization and Control · Mathematics 2023-03-23 Max Grieshammer , Lukas Pflug , Michael Stingl , Andrian Uihlein

Generative models typically sample outputs independently, and recent inference-time guidance and scaling algorithms focus on improving the quality of individual samples. However, in real-world applications, users are often presented with a…

Computer Vision and Pattern Recognition · Computer Science 2025-08-22 Gaurav Parmar , Or Patashnik , Daniil Ostashev , Kuan-Chieh Wang , Kfir Aberman , Srinivasa Narasimhan , Jun-Yan Zhu

With the maturing of deep learning systems, trustworthiness is becoming increasingly important for model assessment. We understand trustworthiness as the combination of explainability and robustness. Generative classifiers (GCs) are a…

Computer Vision and Pattern Recognition · Computer Science 2020-12-03 Radek Mackowiak , Lynton Ardizzone , Ullrich Köthe , Carsten Rother

Gradient descent and its many variants, including mini-batch stochastic gradient descent, form the algorithmic foundation of modern large-scale machine learning. Due to the size and scale of modern data, gradient computations are often…

Machine Learning · Statistics 2018-05-29 Zachary Charles , Dimitris Papailiopoulos

Consistency training is a popular method to improve deep learning models in computer vision and natural language processing. Graph neural networks (GNNs) have achieved remarkable performance in a variety of network science learning tasks,…

Machine Learning · Computer Science 2021-10-14 Cole Hawkins , Vassilis N. Ioannidis , Soji Adeshina , George Karypis