This paper provides a comprehensive exploration of data clustering, emphasizing its methodologies and applications across different fields. Traditional techniques, including partitional and hierarchical clustering, are discussed alongside other approaches such as data stream, subspace and network clustering, highlighting their role in addressing complex, high-dimensional datasets. The paper also reviews the foundational principles of clustering, introduces common tools and methods, and examines its diverse applications in data science. Finally, the discussion concludes with insights into future directions, underscoring the centrality of clustering in driving innovation and enabling data-driven decision making.

In the realm of graph learning, there is a category of methods that conceptualize graphs as hierarchical structures, utilizing node clustering to capture broader structural information. While generally effective, these methods often rely on a fixed graph coarsening routine, leading to overly homogeneous cluster representations and loss of node-level information. In this paper, we envision the graph as a network of interconnected node sets without compressing each cluster into a single embedding. To enable effective information transfer among these node sets, we propose the Node-to-Cluster Attention (N2C-Attn) mechanism. N2C-Attn incorporates techniques from Multiple Kernel Learning into the kernelized attention framework, effectively capturing information at both node and cluster levels. We then devise an efficient form for N2C-Attn using the cluster-wise message-passing framework, achieving linear time complexity. We further analyze how N2C-Attn combines bi-level feature maps of queries and keys, demonstrating its capability to merge dual-granularity information. The resulting architecture, Cluster-wise Graph Transformer (Cluster-GT), which uses node clusters as tokens and employs our proposed N2C-Attn module, shows superior performance on various graph-level tasks.

Multi-view clustering (MVC) aims to integrate complementary information from multiple views to enhance clustering performance. Late Fusion Multi-View Clustering (LFMVC) has shown promise by synthesizing diverse clustering results into a unified consensus. However, current LFMVC methods struggle with noisy and redundant partitions and often fail to capture high-order correlations across views. To address these limitations, we present a novel theoretical framework for analyzing the generalization error bounds of multiple kernel $k$-means, leveraging local Rademacher complexity and principal eigenvalue proportions. Our analysis establishes a convergence rate of $\mathcal{O}(1/n)$, significantly improving upon the existing rate in the order of $\mathcal{O}(\sqrt{k/n})$. Building on this insight, we propose a low-pass graph filtering strategy within a multiple linear $k$-means framework to mitigate noise and redundancy, further refining the principal eigenvalue proportion and enhancing clustering accuracy. Experimental results on benchmark datasets confirm that our approach outperforms state-of-the-art methods in clustering performance and robustness. The related codes is available at https://github.com/csliangdu/GMLKM .

Self-supervised graph representation learning (SSGRL) is a representation learning paradigm used to reduce or avoid manual labeling. An essential part of SSGRL is graph data augmentation. Existing methods usually rely on heuristics commonly identified through trial and error and are effective only within some application domains. Also, it is not clear why one heuristic is better than another. Moreover, recent studies have argued against some techniques (e.g., dropout: that can change the properties of molecular graphs or destroy relevant signals for graph-based document classification tasks). In this study, we propose a novel data-driven SSGRL approach that automatically learns a suitable graph augmentation from the signal encoded in the graph (i.e., the nodes' predictive feature and topological information). We propose two complementary approaches that produce learnable feature and topological augmentations. The former learns multi-view augmentation of node features, and the latter learns a high-order view of the topology. Moreover, the augmentations are jointly learned with the representation. Our approach is general that it can be applied to homogeneous and heterogeneous graphs. We perform extensive experiments on node classification (using nine homogeneous and heterogeneous datasets) and graph property prediction (using another eight datasets). The results show that the proposed method matches or outperforms the SOTA SSGRL baselines and performs similarly to semi-supervised methods. The anonymised source code is available at https://github.com/AhmedESamy/dsgrl/

Large language models (LLMs) have transformed natural language processing, with frameworks like Chatbot Arena providing pioneering platforms for evaluating these models. By facilitating millions of pairwise comparisons based on human judgments, Chatbot Arena has become a cornerstone in LLM evaluation, offering rich datasets for ranking models in open-ended conversational tasks. Building upon this foundation, we propose a statistical framework that incorporates key advancements to address specific challenges in pairwise comparison analysis. First, we introduce a factored tie model that enhances the ability to handle ties -- an integral aspect of human-judged comparisons -- significantly improving the model's fit to observed data. Second, we extend the framework to model covariance between competitors, enabling deeper insights into performance relationships and facilitating intuitive groupings into performance tiers. Third, we resolve optimization challenges arising from parameter non-uniqueness by introducing novel constraints, ensuring stable and interpretable parameter estimation. Through rigorous evaluation and extensive experimentation, our framework demonstrates substantial improvements over existing methods in modeling pairwise comparison data. To support reproducibility and practical adoption, we release leaderbot, an open-source Python package implementing our models and analyses.

For a data-generating process for random variables that can be described with a linear structural equation model, we consider a situation in which (i) a set of covariates satisfying the back-door criterion cannot be observed or (ii) such a set can be observed, but standard statistical estimation methods cannot be applied to estimate causal effects because of multicollinearity/high-dimensional data problems. We propose a novel two-stage penalized regression approach, the penalized covariate-mediator selection operator (PCM Selector), to estimate the causal effects in such scenarios. Unlike existing penalized regression analyses, when a set of intermediate variables is available, PCM Selector provides a consistent or less biased estimator of the causal effect. In addition, PCM Selector provides a variable selection procedure for intermediate variables to obtain better estimation accuracy of the causal effects than does the back-door criterion.

Diffusion models have recently shown considerable potential in solving Bayesian inverse problems when used as priors. However, sampling from the resulting denoising posterior distributions remains a challenge as it involves intractable terms. To tackle this issue, state-of-the-art approaches formulate the problem as that of sampling from a surrogate diffusion model targeting the posterior and decompose its scores into two terms: the prior score and an intractable guidance term. While the former is replaced by the pre-trained score of the considered diffusion model, the guidance term has to be estimated. In this paper, we propose a novel approach that utilises a decomposition of the transitions which, in contrast to previous methods, allows a trade-off between the complexity of the intractable guidance term and that of the prior transitions. We validate the proposed approach through extensive experiments on linear and nonlinear inverse problems, including challenging cases with latent diffusion models as priors. We then demonstrate its applicability to various modalities and its promising impact on public health by tackling cardiovascular disease diagnosis through the reconstruction of incomplete electrocardiograms. The code is publicly available at https://github.com/ Inverse problems aim to reconstruct signals from incomplete and noisy observations and are prevalent across various fields. In signal and image processing, common examples include signal deconvolution, image restoration, and tomographic image reconstruction (Stuart, 2010; Idier, 2013). Other applications extend to protein backbone motif scaffolding (Watson et al., 2023) and urban mobility modeling (Jiang et al., 2023).

The problem of evaluating the effectiveness of a treatment or policy commonly appears in causal inference applications under network interference. In this paper, we suggest the new method of high-dimensional network causal inference (HNCI) that provides both valid confidence interval on the average direct treatment effect on the treated (ADET) and valid confidence set for the neighborhood size for interference effect. We exploit the model setting in Belloni et al. (2022) and allow certain type of heterogeneity in node interference neighborhood sizes. We propose a linear regression formulation of potential outcomes, where the regression coefficients correspond to the underlying true interference function values of nodes and exhibit a latent homogeneous structure. Such a formulation allows us to leverage existing literature from linear regression and homogeneity pursuit to conduct valid statistical inferences with theoretical guarantees. The resulting confidence intervals for the ADET are formally justified through asymptotic normalities with estimable variances. We further provide the confidence set for the neighborhood size with theoretical guarantees exploiting the repro samples approach. The practical utilities of the newly suggested methods are demonstrated through simulation and real data examples.

Recent advances in statistical learning theory have revealed profound connections between mutual information (MI) bounds, PAC-Bayesian theory, and Bayesian nonparametrics. This work introduces a novel mutual information bound for statistical models. The derived bound has wide-ranging applications in statistical inference. It yields improved contraction rates for fractional posteriors in Bayesian nonparametrics. It can also be used to study a wide range of estimation methods, such as variational inference or Maximum Likelihood Estimation (MLE). By bridging these diverse areas, this work advances our understanding of the fundamental limits of statistical inference and the role of information in learning from data. We hope that these results will not only clarify connections between statistical inference and information theory but also help to develop a new toolbox to study a wide range of estimators.

Nonlinear structural analyses in engineering often require extensive finite element simulations, limiting their applicability in design optimization, uncertainty quantification, and real-time control. Conventional deep learning surrogates, such as convolutional neural networks (CNNs), physics-informed neural networks (PINNs), and fourier neural operators (FNOs), face challenges with complex non-parametric three-dimensional (3D) geometries, directionally varying loads, and high-fidelity predictions on unstructured meshes. This work presents Point-DeepONet, an operator-learning-based surrogate that integrates PointNet into the DeepONet framework. By directly processing non-parametric point clouds and incorporating signed distance functions (SDF) for geometric context, Point-DeepONet accurately predicts three-dimensional displacement and von Mises stress fields without mesh parameterization or retraining. Trained using only about 5,000 nodes (2.5% of the original 200,000-node mesh), Point-DeepONet can still predict the entire mesh at high fidelity, achieving a coefficient of determination reaching 0.987 for displacement and 0.923 for von Mises stress under a horizontal load case. Compared to nonlinear finite element analyses that require about 19.32 minutes per case, Point-DeepONet provides predictions in mere seconds-approximately 400 times faster-while maintaining excellent scalability and accuracy with increasing dataset sizes. These findings highlight the potential of Point-DeepONet to enable rapid, high-fidelity structural analyses, ultimately supporting more effective design exploration and informed decision-making in complex engineering workflows.