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Clustering under pairwise constraints is an important knowledge discovery tool that enables the learning of appropriate kernels or distance metrics to improve clustering performance. These pairwise constraints, which come in the form of…
Vector Quantisation (VQ) is experiencing a comeback in machine learning, where it is increasingly used in representation learning. However, optimizing the codevectors in existing VQ-VAE is not entirely trivial. A problem is codebook…
Concept Factorization (CF) and its variants may produce inaccurate representation and clustering results due to the sensitivity to noise, hard constraint on the reconstruction error and pre-obtained approximate similarities. To improve the…
Recent empirical work has shown that hierarchical convolutional kernels inspired by convolutional neural networks (CNNs) significantly improve the performance of kernel methods in image classification tasks. A widely accepted explanation…
Generalized cross validation (GCV) is one of the most important approaches used to estimate parameters in the context of inverse problems and regularization techniques. A notable example is the determination of the smoothness parameter in…
Cellwise contamination remains a challenging problem for data scientists, particularly in research fields that require the selection of sparse features. Traditional robust methods may not be feasible nor efficient in dealing with such…
Evaluating machine unlearning methods remains technically challenging, with recent benchmarks requiring complex setups and significant engineering overhead. We introduce a unified and extensible benchmarking suite that simplifies the…
We establish a general upper bound for $K$-fold cross-validation ($K$-CV) errors that can be adapted to many $K$-CV-based estimators and learning algorithms. Based on Rademacher complexity of the model and the Orlicz-$\Psi_{\nu}$ norm of…
A quantitative first-principles description of complex substitutional materials like alloys is challenging due to the vast number of configurations and the high computational cost of solving the quantum-mechanical problem. Therefore,…
Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…
Graph-based clustering has shown promising performance in many tasks. A key step of graph-based approach is the similarity graph construction. In general, learning graph in kernel space can enhance clustering accuracy due to the…
Vector quantization (VQ) is a prevalent and fundamental technique that discretizes continuous feature vectors by approximating them using a codebook. As the diversity and complexity of data and models continue to increase, there is an…
Despite a large and significant body of recent work focused on estimating the out-of-sample risk of regularized models in the high dimensional regime, a theoretical understanding of this problem for non-differentiable penalties such as…
Attributed Graph Clustering (AGC) is a fundamental unsupervised task that partitions nodes into cohesive groups by jointly modeling structural topology and node attributes. While the advent of graph neural networks and self-supervised…
We generalize fast Gaussian process leave-one-out formulae to multiple-fold cross-validation, highlighting in turn the covariance structure of cross-validation residuals in both Simple and Universal Kriging frameworks. We illustrate how…
Fine-grained skill representations, commonly referred to as knowledge components (KCs), are fundamental to many approaches in student modeling and learning analytics. However, KC-level correctness labels are rarely available in real-world…
Late fusion multi-view clustering (LFMVC) has become a rapidly growing class of methods in the multi-view clustering (MVC) field, owing to its excellent computational speed and clustering performance. One bottleneck faced by existing late…
We identify an issue in multi-task learnable compression, in which a representation learned for one task does not positively contribute to the rate-distortion performance of a different task as much as expected, given the estimated amount…
Unsupervised feature learning has made great strides with contrastive learning based on instance discrimination and invariant mapping, as benchmarked on curated class-balanced datasets. However, natural data could be highly correlated and…
Since most machine learning (ML) algorithms are designed for numerical inputs, efficiently encoding categorical variables is a crucial aspect in data analysis. A common problem are high cardinality features, i.e. unordered categorical…