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 Clustering


Improved seeding strategies for k-means and k-GMM

arXiv.org Artificial Intelligence

We revisit the randomized seeding techniques for k-means clustering and k-GMM (Gaussian Mixture model fitting with Expectation-Maximization), formalizing their three key ingredients: the metric used for seed sampling, the number of candidate seeds, and the metric used for seed selection. This analysis yields novel families of initialization methods exploiting a lookahead principle--conditioning the seed selection to an enhanced coherence with the final metric used to assess the algorithm, and a multipass strategy to tame down the effect of randomization. Experiments show a consistent constant factor improvement over classical contenders in terms of the final metric (SSE for k-means, log-likelihood for k-GMM), at a modest overhead. In particular, for k-means, our methods improve on the recently designed multi-swap strategy, which was the first one to outperform the greedy k-means++ seeding. Our experimental analysis also shed light on subtle properties of k-means often overlooked, including the (lack of) correlations between the SSE upon seeding and the final SSE, the variance reduction phenomena observed in iterative seeding methods, and the sensitivity of the final SSE to the pool size for greedy methods. Practically, our most effective seeding methods are strong candidates to become one of the--if not the--standard techniques. From a theoretical perspective, our formalization of seeding opens the door to a new line of analytical approaches.


Large Scale Passenger Detection with Smartphone/Bus Implicit Interaction and Multisensory Unsupervised Cause-effect Learning

arXiv.org Artificial Intelligence

Intelligent Transportation Systems (ITS) underpin the concept of Mobility as a Service (MaaS), which requires universal and seamless users' access across multiple public and private transportation systems while allowing operators' proportional revenue sharing. Current user sensing technologies such as Walk-in/Walk-out (WIWO) and Check-in/Check-out (CICO) have limited scalability for large-scale deployments. These limitations prevent ITS from supporting analysis, optimization, calculation of revenue sharing, and control of MaaS comfort, safety, and efficiency. We focus on the concept of implicit Be-in/Be-out (BIBO) smartphone-sensing and classification. To close the gap and enhance smartphones towards MaaS, we developed a proprietary smartphone-sensing platform collecting contemporary Bluetooth Low Energy (BLE) signals from BLE devices installed on buses and Global Positioning System (GPS) locations of both buses and smartphones. To enable the training of a model based on GPS features against the BLE pseudo-label, we propose the Cause-Effect Multitask Wasserstein Autoencoder (CEMWA). CEMWA combines and extends several frameworks around Wasserstein autoencoders and neural networks. As a dimensionality reduction tool, CEMWA obtains an auto-validated representation of a latent space describing users' smartphones within the transport system. This representation allows BIBO clustering via DBSCAN. We perform an ablation study of CEMWA's alternative architectures and benchmark against the best available supervised methods. We analyze performance's sensitivity to label quality. Under the naïve assumption of accurate ground truth, XGBoost outperforms CEMWA. Although XGBoost and Random Forest prove to be tolerant to label noise, CEMWA is agnostic to label noise by design and provides the best performance with an 88\% F1 score.


Discriminative Rule Learning for Outcome-Guided Process Model Discovery

arXiv.org Artificial Intelligence

Event logs extracted from information systems offer a rich foundation for understanding and improving business processes. In many real-world applications, it is possible to distinguish between desirable and undesirable process executions, where desirable traces reflect efficient or compliant behavior, and undesirable ones may involve inefficiencies, rule violations, delays, or resource waste. This distinction presents an opportunity to guide process discovery in a more outcome-aware manner. Discovering a single process model without considering outcomes can yield representations poorly suited for conformance checking and performance analysis, as they fail to capture critical behavioral differences. Moreover, prioritizing one behavior over the other may obscure structural distinctions vital for understanding process outcomes. By learning interpretable discriminative rules over control-flow features, we group traces with similar desirability profiles and apply process discovery separately within each group. This results in focused and interpretable models that reveal the drivers of both desirable and undesirable executions. The approach is implemented as a publicly available tool and it is evaluated on multiple real-life event logs, demonstrating its effectiveness in isolating and visualizing critical process patterns.


FairAD: Computationally Efficient Fair Graph Clustering via Algebraic Distance

arXiv.org Artificial Intelligence

Due to the growing concern about unsavory behaviors of machine learning models toward certain demographic groups, the notion of 'fairness' has recently drawn much attention from the community, thereby motivating the study of fairness in graph clustering. Fair graph clustering aims to partition the set of nodes in a graph into $k$ disjoint clusters such that the proportion of each protected group within each cluster is consistent with the proportion of that group in the entire dataset. It is, however, computationally challenging to incorporate fairness constraints into existing graph clustering algorithms, particularly for large graphs. To address this problem, we propose FairAD, a computationally efficient fair graph clustering method. It first constructs a new affinity matrix based on the notion of algebraic distance such that fairness constraints are imposed. A graph coarsening process is then performed on this affinity matrix to find representative nodes that correspond to $k$ clusters. Finally, a constrained minimization problem is solved to obtain the solution of fair clustering. Experiment results on the modified stochastic block model and six public datasets show that FairAD can achieve fair clustering while being up to 40 times faster compared to state-of-the-art fair graph clustering algorithms.


Towards a Measure of Algorithm Similarity

arXiv.org Artificial Intelligence

Given two algorithms for the same problem, can we determine whether they are meaningfully different? In full generality, the question is uncomputable, and empirically it is muddied by competing notions of similarity. Yet, in many applications (such as clone detection or program synthesis) a pragmatic and consistent similarity metric is necessary. We review existing equivalence and similarity notions and introduce EMOC: An Evaluation-Memory-Operations-Complexity framework that embeds algorithm implementations into a feature space suitable for downstream tasks. We compile PACD, a curated dataset of verified Python implementations across three problems, and show that EMOC features support clustering and classification of algorithm types, detection of near-duplicates, and quantification of diversity in LLM-generated programs. Code, data, and utilities for computing EMOC embeddings are released to facilitate reproducibility and future work on algorithm similarity.


Mind the Gaps: Auditing and Reducing Group Inequity in Large-Scale Mobility Prediction

arXiv.org Artificial Intelligence

Next location prediction underpins a growing number of mobility, retail, and public-health applications, yet its societal impacts remain largely unexplored. In this paper, we audit state-of-the-art mobility prediction models trained on a large-scale dataset, highlighting hidden disparities based on user demographics. Drawing from aggregate census data, we compute the difference in predictive performance on racial and ethnic user groups and show a systematic disparity resulting from the underlying dataset, resulting in large differences in accuracy based on location and user groups. To address this, we propose Fairness-Guided Incremental Sampling (FGIS), a group-aware sampling strategy designed for incremental data collection settings. Because individual-level demographic labels are unavailable, we introduce Size-Aware K-Means (SAKM), a clustering method that partitions users in latent mobility space while enforcing census-derived group proportions. This yields proxy racial labels for the four largest groups in the state: Asian, Black, Hispanic, and White. Built on these labels, our sampling algorithm prioritizes users based on expected performance gains and current group representation. This method incrementally constructs training datasets that reduce demographic performance gaps while preserving overall accuracy. Our method reduces total disparity between groups by up to 40\% with minimal accuracy trade-offs, as evaluated on a state-of-art MetaPath2Vec model and a transformer-encoder model. Improvements are most significant in early sampling stages, highlighting the potential for fairness-aware strategies to deliver meaningful gains even in low-resource settings. Our findings expose structural inequities in mobility prediction pipelines and demonstrate how lightweight, data-centric interventions can improve fairness with little added complexity, especially for low-data applications.


Robust fuzzy clustering for high-dimensional multivariate time series with outlier detection

arXiv.org Machine Learning

Fuzzy clustering provides a natural framework for modeling partial memberships, particularly important in multivariate time series (MTS) where state boundaries are often ambiguous. For example, in EEG monitoring of driver alertness, neural activity evolves along a continuum (from unconscious to fully alert, with many intermediate levels of drowsiness) so crisp labels are unrealistic and partial memberships are essential. However, most existing algorithms are developed for static, low-dimensional data and struggle with temporal dependence, unequal sequence lengths, high dimensionality, and contamination by noise or artifacts. To address these challenges, we introduce RFCPCA, a robust fuzzy subspace-clustering method explicitly tailored to MTS that, to the best of our knowledge, is the first of its kind to simultaneously: (i) learn membership-informed subspaces, (ii) accommodate unequal lengths and moderately high dimensions, (iii) achieve robustness through trimming, exponential reweighting, and a dedicated noise cluster, and (iv) automatically select all required hyperparameters. These components enable RFCPCA to capture latent temporal structure, provide calibrated membership uncertainty, and flag series-level outliers while remaining stable under contamination. On driver drowsiness EEG, RFCPCA improves clustering accuracy over related methods and yields a more reliable characterization of uncertainty and outlier structure in MTS.


Segmentation over Complexity: Evaluating Ensemble and Hybrid Approaches for Anomaly Detection in Industrial Time Series

arXiv.org Artificial Intelligence

Abstract--In this study, we investigate the effectiveness of advanced feature engineering and hybrid model architectures for anomaly detection in a multivariate industrial time series, focusing on a steam turbine system. We evaluate the impact of change point-derived statistical features, clustering-based substructure representations, and hybrid learning strategies on detection performance. Despite their theoretical appeal, these complex approaches consistently underperformed compared to a simple Random Forest + XGBoost ensemble trained on segmented data. The ensemble achieved an AUC-ROC of 0.976, F1-score of 0.41, and 100% early detection within the defined time window. Our findings highlight that, in scenarios with highly imbalanced and temporally uncertain data, model simplicity combined with optimized segmentation can outperform more sophisticated architectures, offering greater robustness, interpretability, and operational utility. In recent years, anomaly detection in time series has become a critical challenge in industrial applications [1].


SGFusion: Stochastic Geographic Gradient Fusion in Federated Learning

arXiv.org Artificial Intelligence

This paper proposes Stochastic Geographic Gradient Fusion (SGFusion), a novel training algorithm to leverage the geographic information of mobile users in Federated Learning (FL). SGFusion maps the data collected by mobile devices onto geographical zones and trains one FL model per zone, which adapts well to the data and behaviors of users in that zone. SGFusion models the local data-based correlation among geographical zones as a hierarchical random graph (HRG) optimized by Markov Chain Monte Carlo sampling. At each training step, every zone fuses its local gradient with gradients derived from a small set of other zones sampled from the HRG. This approach enables knowledge fusion and sharing among geographical zones in a probabilistic and stochastic gradient fusion process with self-attention weights, such that "more similar" zones have "higher probabilities" of sharing gradients with "larger attention weights." SGFusion remarkably improves model utility without introducing undue computational cost. Extensive theoretical and empirical results using a heart-rate prediction dataset collected across 6 countries show that models trained with SGFusion converge with upper-bounded expected errors and significantly improve utility in all countries compared to existing approaches without notable cost in system scalability.


MLPrE -- A tool for preprocessing and exploratory data analysis prior to machine learning model construction

arXiv.org Artificial Intelligence

With the recent growth of Deep Learning for AI, there is a need for tools to meet the demand of data flowing into those models. In some cases, source data may exist in multiple formats, and therefore the source data must be investigated and properly engineered for a Machine Learning model or graph database. Overhead and lack of scalability with existing workflows limit integration within a larger processing pipeline such as Apache Airflow, driving the need for a robust, extensible, and lightweight tool to preprocess arbitrary datasets that scales with data type and size. To address this, we present Machine Learning Preprocessing and Exploratory Data Analysis, MLPrE, in which SparkDataFrames were utilized to hold data during processing and ensure scalability. A generalizable JSON input file format was utilized to describe stepwise changes to that DataFrame. Stages were implemented for input and output, filtering, basic statistics, feature engineering, and exploratory data analysis. A total of 69 stages were implemented into MLPrE, of which we highlight and demonstrate key stages using six diverse datasets. We further highlight MLPrE's ability to independently process multiple fields in flat files and recombine them, otherwise requiring an additional pipeline, using a UniProt glossary term dataset. Building on this advantage, we demonstrated the clustering stage with available wine quality data. Lastly, we demonstrate the preparation of data for a graph database in the final stages of MLPrE using phosphosite kinase data. Overall, our MLPrE tool offers a generalizable and scalable tool for preprocessing and early data analysis, filling a critical need for such a tool given the ever expanding use of machine learning. This tool serves to accelerate and simplify early stage development in larger workflows.