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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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.…
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…
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…
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…
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…
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…
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,…