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 Clustering


Interpretable Multi-View Clustering

arXiv.org Artificial Intelligence

Multi-view clustering has become a significant area of research, with numerous methods proposed over the past decades to enhance clustering accuracy. However, in many real-world applications, it is crucial to demonstrate a clear decision-making process-specifically, explaining why samples are assigned to particular clusters. Consequently, there remains a notable gap in developing interpretable methods for clustering multi-view data. To fill this crucial gap, we make the first attempt towards this direction by introducing an interpretable multi-view clustering framework. Our method begins by extracting embedded features from each view and generates pseudo-labels to guide the initial construction of the decision tree. Subsequently, it iteratively optimizes the feature representation for each view along with refining the interpretable decision tree. Experimental results on real datasets demonstrate that our method not only provides a transparent clustering process for multi-view data but also delivers performance comparable to state-of-the-art multi-view clustering methods. To the best of our knowledge, this is the first effort to design an interpretable clustering framework specifically for multi-view data, opening a new avenue in this field.


FastLloyd: Federated, Accurate, Secure, and Tunable $k$-Means Clustering with Differential Privacy

arXiv.org Artificial Intelligence

We study the problem of privacy-preserving $k$-means clustering in the horizontally federated setting. Existing federated approaches using secure computation, suffer from substantial overheads and do not offer output privacy. At the same time, differentially private (DP) $k$-means algorithms assume a trusted central curator and do not extend to federated settings. Naively combining the secure and DP solutions results in a protocol with impractical overhead. Instead, our work provides enhancements to both the DP and secure computation components, resulting in a design that is faster, more private, and more accurate than previous work. By utilizing the computational DP model, we design a lightweight, secure aggregation-based approach that achieves four orders of magnitude speed-up over state-of-the-art related work. Furthermore, we not only maintain the utility of the state-of-the-art in the central model of DP, but we improve the utility further by taking advantage of constrained clustering techniques.


Process Mining Embeddings: Learning Vector Representations for Petri Nets

arXiv.org Artificial Intelligence

Process mining offers powerful techniques for discovering, analyzing, and enhancing real-world business processes. In this context, Petri nets provide an expressive means of modeling process behavior. However, directly analyzing and comparing intricate Petri net presents challenges. This study introduces PetriNet2Vec, a novel unsupervised methodology based on Natural Language Processing concepts inspired by Doc2Vec and designed to facilitate the effective comparison, clustering, and classification of process models represented as embedding vectors. These embedding vectors allow us to quantify similarities and relationships between different process models. Our methodology was experimentally validated using the PDC Dataset, featuring 96 diverse Petri net models. We performed cluster analysis, created UMAP visualizations, and trained a decision tree to provide compelling evidence for the capability of PetriNet2Vec to discern meaningful patterns and relationships among process models and their constituent tasks. Through a series of experiments, we demonstrated that PetriNet2Vec was capable of learning the structure of Petri nets, as well as the main properties used to simulate the process models of our dataset. Furthermore, our results showcase the utility of the learned embeddings in two crucial downstream tasks within process mining enhancement: process classification and process retrieval.


Context-Aware Clustering using Large Language Models

arXiv.org Artificial Intelligence

Despite the remarkable success of Large Language Models (LLMs) in text understanding and generation, their potential for text clustering tasks remains underexplored. We observed that powerful closed-source LLMs provide good quality clusterings of entity sets but are not scalable due to the massive compute power required and the associated costs. Thus, we propose CACTUS (Context-Aware ClusTering with aUgmented triplet losS), a systematic approach that leverages open-source LLMs for efficient and effective supervised clustering of entity subsets, particularly focusing on text-based entities. Existing text clustering methods fail to effectively capture the context provided by the entity subset. Moreover, though there are several language modeling based approaches for clustering, very few are designed for the task of supervised clustering. This paper introduces a novel approach towards clustering entity subsets using LLMs by capturing context via a scalable inter-entity attention mechanism. We propose a novel augmented triplet loss function tailored for supervised clustering, which addresses the inherent challenges of directly applying the triplet loss to this problem. Furthermore, we introduce a self-supervised clustering task based on text augmentation techniques to improve the generalization of our model. For evaluation, we collect ground truth clusterings from a closed-source LLM and transfer this knowledge to an open-source LLM under the supervised clustering framework, allowing a faster and cheaper open-source model to perform the same task. Experiments on various e-commerce query and product clustering datasets demonstrate that our proposed approach significantly outperforms existing unsupervised and supervised baselines under various external clustering evaluation metrics.


Sifting out communities in large sparse networks

arXiv.org Artificial Intelligence

Research data sets are growing to unprecedented sizes and network modeling is commonly used to extract complex relationships in diverse domains, such as genetic interactions involved in disease, logistics, and social communities. As the number of nodes increases in a network, an increasing sparsity of edges is a practical limitation due to memory restrictions. Moreover, many of these sparse networks exhibit very large numbers of nodes with no adjacent edges, as well as disjoint components of nodes with no edges connecting them. A prevalent aim in network modeling is the identification of clusters, or communities, of nodes that are highly interrelated. Several definitions of strong community structure have been introduced to facilitate this task, each with inherent assumptions and biases. We introduce an intuitive objective function for quantifying the quality of clustering results in large sparse networks. We utilize a two-step method for identifying communities which is especially well-suited for this domain as the first step efficiently divides the network into the disjoint components, while the second step optimizes clustering of the produced components based on the new objective. Using simulated networks, optimization based on the new objective function consistently yields significantly higher accuracy than those based on the modularity function, with the widest gaps appearing for the noisiest networks. Additionally, applications to benchmark problems illustrate the intuitive correctness of our approach. Finally, the practicality of our approach is demonstrated in real-world data in which we identify complex genetic interactions in large-scale networks comprised of tens of thousands of nodes. Based on these three different types of trials, our results clearly demonstrate the usefulness of our two-step procedure and the accuracy of our simple objective.


Robustness of graph embedding methods for community detection

arXiv.org Artificial Intelligence

This study investigates the robustness of graph embedding methods for community detection in the face of network perturbations, specifically edge deletions. Graph embedding techniques, which represent nodes as low-dimensional vectors, are widely used for various graph machine learning tasks due to their ability to capture structural properties of networks effectively. However, the impact of perturbations on the performance of these methods remains relatively understudied. The research considers state-of-the-art graph embedding methods from two families: matrix factorization (e.g., LE, LLE, HOPE, M-NMF) and random walk-based (e.g., DeepWalk, LINE, node2vec). Through experiments conducted on both synthetic and real-world networks, the study reveals varying degrees of robustness within each family of graph embedding methods. The robustness is found to be influenced by factors such as network size, initial community partition strength, and the type of perturbation. Notably, node2vec and LLE consistently demonstrate higher robustness for community detection across different scenarios, including networks with degree and community size heterogeneity. These findings highlight the importance of selecting an appropriate graph embedding method based on the specific characteristics of the network and the task at hand, particularly in scenarios where robustness to perturbations is crucial.


PANDAS: Prototype-based Novel Class Discovery and Detection

arXiv.org Artificial Intelligence

Object detectors are typically trained once and for all on a fixed set of classes. However, this closed-world assumption is unrealistic in practice, as new classes will inevitably emerge after the detector is deployed in the wild. In this work, we look at ways to extend a detector trained for a set of base classes so it can i) spot the presence of novel classes, and ii) automatically enrich its repertoire to be able to detect those newly discovered classes together with the base ones. We propose PANDAS, a method for novel class discovery and detection. It discovers clusters representing novel classes from unlabeled data, and represents old and new classes with prototypes. During inference, a distance-based classifier uses these prototypes to assign a label to each detected object instance. The simplicity of our method makes it widely applicable. We experimentally demonstrate the effectiveness of PANDAS on the VOC 2012 and COCO-to-LVIS benchmarks. It performs favorably against the state of the art for this task while being computationally more affordable.


Beyond Known Clusters: Probe New Prototypes for Efficient Generalized Class Discovery

arXiv.org Artificial Intelligence

Generalized Class Discovery (GCD) aims to dynamically assign labels to unlabelled data partially based on knowledge learned from labelled data, where the unlabelled data may come from known or novel classes. The prevailing approach generally involves clustering across all data and learning conceptions by prototypical contrastive learning. However, existing methods largely hinge on the performance of clustering algorithms and are thus subject to their inherent limitations. Firstly, the estimated cluster number is often smaller than the ground truth, making the existing methods suffer from the lack of prototypes for comprehensive conception learning. To address this issue, we propose an adaptive probing mechanism that introduces learnable potential prototypes to expand cluster prototypes (centers). As there is no ground truth for the potential prototype, we develop a self-supervised prototype learning framework to optimize the potential prototype in an end-to-end fashion. Secondly, clustering is computationally intensive, and the conventional strategy of clustering both labelled and unlabelled instances exacerbates this issue. To counteract this inefficiency, we opt to cluster only the unlabelled instances and subsequently expand the cluster prototypes with our introduced potential prototypes to fast explore novel classes. Despite the simplicity of our proposed method, extensive empirical analysis on a wide range of datasets confirms that our method consistently delivers state-of-the-art results. Specifically, our method surpasses the nearest competitor by a significant margin of 9.7% within the Stanford Cars dataset and 12x clustering efficiency within the Herbarium 19 dataset. We will make the code and checkpoints publicly available at https://github.com/xjtuYW/PNP.git.


Clio: Real-time Task-Driven Open-Set 3D Scene Graphs

arXiv.org Artificial Intelligence

Modern tools for class-agnostic image segmentation (e.g., SegmentAnything) and open-set semantic understanding (e.g., CLIP) provide unprecedented opportunities for robot perception and mapping. While traditional closed-set metric-semantic maps were restricted to tens or hundreds of semantic classes, we can now build maps with a plethora of objects and countless semantic variations. This leaves us with a fundamental question: what is the right granularity for the objects (and, more generally, for the semantic concepts) the robot has to include in its map representation? While related work implicitly chooses a level of granularity by tuning thresholds for object detection, we argue that such a choice is intrinsically task-dependent. The first contribution of this paper is to propose a task-driven 3D scene understanding problem, where the robot is given a list of tasks in natural language and has to select the granularity and the subset of objects and scene structure to retain in its map that is sufficient to complete the tasks. We show that this problem can be naturally formulated using the Information Bottleneck (IB), an established information-theoretic framework. The second contribution is an algorithm for task-driven 3D scene understanding based on an Agglomerative IB approach, that is able to cluster 3D primitives in the environment into task-relevant objects and regions and executes incrementally. The third contribution is to integrate our task-driven clustering algorithm into a real-time pipeline, named Clio, that constructs a hierarchical 3D scene graph of the environment online using only onboard compute, as the robot explores it. Our final contribution is an extensive experimental campaign showing that Clio not only allows real-time construction of compact open-set 3D scene graphs, but also improves the accuracy of task execution by limiting the map to relevant semantic concepts.


Feature graphs for interpretable unsupervised tree ensembles: centrality, interaction, and application in disease subtyping

arXiv.org Artificial Intelligence

Interpretable machine learning has emerged as central in leveraging artificial intelligence within high-stakes domains such as healthcare, where understanding the rationale behind model predictions is as critical as achieving high predictive accuracy. In this context, feature selection assumes a pivotal role in enhancing model interpretability by identifying the most important input features in black-box models. While random forests are frequently used in biomedicine for their remarkable performance on tabular datasets, the accuracy gained from aggregating decision trees comes at the expense of interpretability. Consequently, feature selection for enhancing interpretability in random forests has been extensively explored in supervised settings. However, its investigation in the unsupervised regime remains notably limited. To address this gap, the study introduces novel methods to construct feature graphs from unsupervised random forests and feature selection strategies to derive effective feature combinations from these graphs. Feature graphs are constructed for the entire dataset as well as individual clusters leveraging the parent-child node splits within the trees, such that feature centrality captures their relevance to the clustering task, while edge weights reflect the discriminating power of feature pairs. Graph-based feature selection methods are extensively evaluated on synthetic and benchmark datasets both in terms of their ability to reduce dimensionality while improving clustering performance, as well as to enhance model interpretability. An application on omics data for disease subtyping identifies the top features for each cluster, showcasing the potential of the proposed approach to enhance interpretability in clustering analyses and its utility in a real-world biomedical application.