Parameter-Free Clustering via Self-Supervised Consensus Maximization (Extended Version)

Clustering is a fundamental task in unsupervised learning, but most existing methods heavily rely on hyperparameters such as the number of clusters or other sensitive settings, limiting their applicability in real-world scenarios. To address this long-standing challenge, we propose a novel and fully parameter-free clustering framework via Self-supervised Consensus Maximization, named SCMax. Our framework performs hierarchical agglomerative clustering and cluster evaluation in a single, integrated process. At each step of agglomeration, it creates a new, structure-aware data representation through a self-supervised learning task guided by the current clustering structure. We then introduce a nearest neighbor consensus score, which measures the agreement between the nearest neighbor-based merge decisions suggested by the original representation and the self-supervised one. The moment at which consensus maximization occurs can serve as a criterion for determining the optimal number of clusters. Extensive experiments on multiple datasets demonstrate that the proposed framework outperforms existing clustering approaches designed for scenarios with an unknown number of clusters.

Enhancing Kernel Power K-means: Scalable and Robust Clustering with Random Fourier Features and Possibilistic Method

Kernel power $k$-means (KPKM) leverages a family of means to mitigate local minima issues in kernel $k$-means. However, KPKM faces two key limitations: (1) the computational burden of the full kernel matrix restricts its use on extensive data, and (2) the lack of authentic centroid-sample assignment learning reduces its noise robustness. To overcome these challenges, we propose RFF-KPKM, introducing the first approximation theory for applying random Fourier features (RFF) to KPKM. RFF-KPKM employs RFF to generate efficient, low-dimensional feature maps, bypassing the need for the whole kernel matrix. Crucially, we are the first to establish strong theoretical guarantees for this combination: (1) an excess risk bound of $\mathcal{O}(\sqrt{k^3/n})$, (2) strong consistency with membership values, and (3) a $(1+\varepsilon)$ relative error bound achievable using the RFF of dimension $\mathrm{poly}(\varepsilon^{-1}\log k)$. Furthermore, to improve robustness and the ability to learn multiple kernels, we propose IP-RFF-MKPKM, an improved possibilistic RFF-based multiple kernel power $k$-means. IP-RFF-MKPKM ensures the scalability of MKPKM via RFF and refines cluster assignments by combining the merits of the possibilistic membership and fuzzy membership. Experiments on large-scale datasets demonstrate the superior efficiency and clustering accuracy of the proposed methods compared to the state-of-the-art alternatives.

Out-of-Distribution Generalized Dynamic Graph Neural Network for Human Albumin Prediction

Human albumin is essential for indicating the body's overall health. Accurately predicting plasma albumin levels and determining appropriate doses are urgent clinical challenges, particularly in critically ill patients, to maintain optimal blood levels. However, human albumin prediction is non-trivial that has to leverage the dynamics of biochemical markers as well as the experience of treating patients. Moreover, the problem of distribution shift is often encountered in real clinical data, which may lead to a decline in the model prediction performance and reduce the reliability of the model's application. In this paper, we propose a framework named Out-of-Distribution Generalized Dynamic Graph Neural Network for Human Albumin Prediction (DyG-HAP), which is able to provide accurate albumin predictions for Intensity Care Unit (ICU) patients during hospitalization. We first model human albumin prediction as a dynamic graph regression problem to model the dynamics and patient relationship. Then, we propose a disentangled dynamic graph attention mechanism to capture and disentangle the patterns whose relationship to labels under distribution shifts is invariant and variant respectively. Last, we propose an invariant dynamic graph regression method to encourage the model to rely on invariant patterns to make predictions. Moreover, we propose a dataset named Albumin level testing and nutritional dosing data for Intensive Care (ANIC) for evaluation. Extensive experiments demonstrate the superiority of our method compared to several baseline methods in human albumin prediction.