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Deep Fuzzy Clustering - A Representation Learning Approach

Published:01/01/2020
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TL;DR Summary

GrDNFCS integrates autoencoding and graph regularization for deep fuzzy clustering, enhancing intra-cluster compactness and inter-cluster separability while jointly learning representations and fuzzy clusters, achieving superior performance and robustness on real datasets.

Abstract

1063-6706 (c) 2019 IEEE. Personal use is permitted, but republication/redistribution requires IEEE permission. See http://www.ieee.org/publications_standards/publications/rights/index.html for more information. This article has been accepted for publication in a future issue of this journal, but has not been fully edited. Content may change prior to final publication. Citation information: DOI 10.1109/TFUZZ.2020.2966173, IEEE Transactions on Fuzzy Systems 1 Deep Fuzzy Clustering - A Representation Learning Approach Qiying Feng, Long Chen, Member, IEEE, C. L. Philip Chen, Fellow, IEEE and Li Guo Abstract —Fuzzy clustering is a classical approach to provide the soft partition of data. Although its enhancements have been intensively explored, fuzzy clustering still suffers from the difficulties in handling real high-dimensional data with complex latent distribution. To solve the problem, this paper proposes a deep fuzzy clustering method by representing the data in a feature space produced by the deep neural network. From the perspective of representation learning, three constraints or objectives are imposed to the neural network to enhance the clustering-

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1. Bibliographic Information

  • Title: Deep Fuzzy Clustering - A Representation Learning Approach
  • Authors: Qiying Feng, Long Chen (Member, IEEE), C. L. Philip Chen (Fellow, IEEE), and Li Guo. The authors are affiliated with the University of Macau, South China University of Technology, Dalian Maritime University, and Qingdao University.
  • Journal/Conference: The provided text does not specify the journal or conference where the paper was published.
  • Publication Year: Not specified in the provided text.
  • Abstract: The paper addresses the challenge of applying fuzzy clustering to high-dimensional data with complex structures. It proposes a deep fuzzy clustering method, named Graph Regularized Deep Normalized Fuzzy Compactness and Separation Clustering (GrDNFCS), that simultaneously learns a "clustering-friendly" data representation and performs soft clustering. The model's neural network is trained with three objectives: (1) an autoencoder to ensure the learned representation can reconstruct the original data; (2) a fuzzy clustering objective that minimizes intra-cluster distances while maximizing inter-cluster distances; and (3) a graph regularization term that uses discriminative information to shape the representation space. The model is trained using stochastic gradient descent and is shown to outperform baseline methods on several real-world datasets.
  • Original Source Link: /files/papers/68fa2f36eba087db331952ba/paper.pdf. This appears to be a local file path, and its formal publication status is not specified in the provided context.

2. Executive Summary

  • Background & Motivation (Why):

    • Core Problem: Traditional fuzzy clustering algorithms, like Fuzzy C-Means (FCM), perform poorly on high-dimensional data (e.g., images, text). The "curse of dimensionality" makes distance metrics less meaningful, and complex, non-linear patterns in the data are difficult for these shallow models to capture.
    • Existing Gaps: While some methods attempt to address this by using kernel tricks or other transformations, they either have design challenges (finding a good kernel) or are disconnected from the clustering process. Recent deep clustering methods have shown success but few have specifically integrated the principles of fuzzy clustering (which provides valuable soft assignments) with deep representation learning. Existing deep models like DEC and IDEC do not explicitly enforce cluster separation or leverage discriminative information in the way this paper proposes.
    • Innovation: The paper introduces a novel deep learning framework that is custom-built for fuzzy clustering. The core innovation is the integration of three distinct learning pressures into a single, unified objective function: (1) representation fidelity through an autoencoder, (2) enhanced cluster structure via a new normalized fuzzy compactness and separation criterion, and (3) preservation of class-wise similarity through a pseudo-label-guided graph regularization.
  • Main Contributions / Findings (What):

    • A Unified Deep Fuzzy Clustering Model: The paper proposes GrDNFCS, a model that, for the first time, combines a deep autoencoder architecture with fuzzy clustering principles to simultaneously learn features and perform soft partitioning.
    • New Fuzzy Clustering Objective: It introduces the Deep Normalized Fuzzy Compactness and Separation (DNFCS) algorithm. This is an improvement over the standard Fuzzy Compactness and Separation (FCS) method, designed to be integrated into a deep learning framework and guaranteed to produce positive membership values.
    • Discriminative Graph Regularization: It presents a novel and efficient graph regularization technique. Instead of using a computationally expensive method like K-Nearest Neighbors (KNN) on the original data, it constructs the graph using pseudo-labels derived from the model's own clustering predictions during training. This allows the model to refine the feature space based on its evolving understanding of the cluster structure.
    • State-of-the-Art Performance: Through extensive experiments on six benchmark datasets, the proposed GrDNFCS model is shown to achieve superior clustering performance compared to traditional methods (K-means, FCM) and other state-of-the-art deep clustering models.

3. Prerequisite Knowledge & Related Work

  • Foundational Concepts:

    • Clustering: An unsupervised machine learning task that aims to group a set of objects in such a way that objects in the same group (called a cluster) are more similar to each other than to those in other groups.
    • Fuzzy Clustering vs. Hard Clustering: In hard clustering (like K-Means), each data point belongs to exactly one cluster. In fuzzy clustering, each data point can belong to multiple clusters with varying degrees of membership, represented by a value typically between 0 and 1. This "soft assignment" is useful for data points that lie on the boundaries between clusters.
    • Fuzzy C-Means (FCM): The most well-known fuzzy clustering algorithm. It iteratively updates cluster centers and the membership matrix to minimize an objective function that measures the weighted sum of distances from data points to cluster centers. The weighting is determined by the fuzzy membership values.
    • Representation Learning: A set of techniques that allows a system to automatically discover the representations needed for feature detection or classification from raw data. Deep learning is a powerful form of representation learning.
    • Autoencoder (AE): A type of artificial neural network used for unsupervised representation learning. It consists of two parts: an encoder that compresses the input data into a low-dimensional latent representation (or "hidden features"), and a decoder that reconstructs the original input from this representation. By training the network to minimize the difference between the original input and its reconstruction, the encoder learns to capture the most salient features of the data.
  • Previous Works:

    • FCM Enhancements: The paper notes several improvements to the original FCM:
      • Possibilistic C-Means (PCM): Addresses FCM's issue where centers can be equidistant.
      • Fuzzy Compactness and Separation (FCS): A key inspiration for this paper. It improves on FCM by considering both intra-cluster compactness (distance within a cluster) and inter-cluster separability (distance between clusters) when calculating memberships.
      • Kernel-based Fuzzy Clustering: Uses the "kernel trick" to map data into a higher-dimensional space where clusters might be more easily separated, but designing a good kernel is difficult.
    • Deep Clustering Models: The paper positions itself within the recent trend of combining deep learning and clustering.
      • Two-Step Approaches: Early methods first used an AE to learn a representation and then applied a traditional clustering algorithm (like K-Means) to the learned features. The main drawback is that the representation learning is not guided by the clustering objective.
      • Integrated Approaches: More advanced models like Deep Embedding Clustering (DEC) and Improved Deep Embedding Clustering (IDEC) perform representation learning and clustering simultaneously. They add a "clustering layer" on top of the AE's encoder. The clustering loss (typically a KL divergence) is then backpropagated through the network to fine-tune the feature representations to be more "clustering-friendly".
  • Differentiation:

    • Versus DEC/IDEC: While GrDNFCS adopts the simultaneous learning paradigm of DEC/IDEC, it makes several key changes. Instead of their Student's-t distribution-based clustering objective, GrDNFCS uses a novel fuzzy clustering objective (DNFCS) derived from fuzzy set theory and the principle of compactness and separation. Furthermore, it adds a unique graph regularization component that DEC/IDEC lack, actively shaping the feature space to group similar samples together.
    • Versus Traditional Fuzzy Clustering: Unlike FCM or FCS which operate directly on the raw, high-dimensional data, GrDNFCS first projects the data into a more meaningful, lower-dimensional space using a deep neural network, making the subsequent fuzzy clustering task much more effective.

4. Methodology (Core Technology & Implementation)

The proposed model, GrDNFCS, is a deep neural network trained to optimize a composite objective function with three main components, as illustrated in Figure 1.

Fig. 1. (a) AE Model, (b)DEC Model, (c)IDEC Model, (d)GrDNFCS Model. 该图像是示意图,展示了论文中四种深度聚类模型的结构: (a) 自动编码器(AE),(b) DEC模型,(c) IDEC模型,(d) GrDNFCS模型。图中体现了各模型中约束条件及聚类层的设计差异。

The figure shows the architectural evolution from a basic Autoencoder (AE) to the proposed GrDNFCS. (a) The AE learns to reconstruct input. (b) DEC removes the decoder and adds a clustering layer. (c) IDEC brings back the decoder and its reconstruction loss. (d) GrDNFCS builds on IDEC's structure but replaces the clustering objective with its own fuzzy logic-based loss and adds a graph regularization constraint.

The final objective function is: L=i=1NhW,B(xi)xi22+α1i=1Nj=1cpijlogpijqij+α2i,v=1Nzizv2siv \mathrm { L } = \sum _ { i = 1 } ^ { \mathrm { N } } \| \operatorname { h } _ { W , B } ( x _ { i } ) - x _ { i } \| _ { 2 } ^ { 2 } + \alpha _ { 1 } \sum _ { i = 1 } ^ { \mathrm { N } } \sum _ { j = 1 } ^ { c } p _ { i j } \log \frac { p _ { i j } } { q _ { i j } } + \alpha _ { 2 } \sum _ { i , v = 1 } ^ { \mathrm { N } } \| z _ { i } - z _ { v } \| ^ { 2 } s _ { i v }

Let's break down each term.

  • Term 1: Autoencoder Reconstruction Loss Lrec=i=1NhW,B(xi)xi22 \mathrm{L}_{rec} = \sum_{i=1}^{\mathrm{N}} \| \operatorname{h}_{W,B}(x_i) - x_i \|_2^2

    • Principle: This is the standard loss for an autoencoder. It ensures that the latent representation ziz_i (the output of the encoder) contains enough information to reconstruct the original data point xix_i via the decoder hW,B()\operatorname{h}_{W,B}(\cdot).
    • Purpose: This term acts as a regularizer, preventing the network from learning a degenerate solution (e.g., mapping all points to a single point) by forcing it to preserve the essential characteristics of the original data.
    • Symbols:
      • xix_i: The ii-th input data point.
      • hW,B(xi)\operatorname{h}_{W,B}(x_i): The reconstructed data point produced by the full autoencoder network with weights WW and biases BB.
      • 22\| \cdot \|_2^2: The squared Euclidean norm (Mean Squared Error).
  • Term 2: DNFCS Clustering Loss (KL-Divergence) Lclu=α1i=1Nj=1cpijlogpijqij \mathrm{L}_{clu} = \alpha_1 \sum_{i=1}^{\mathrm{N}} \sum_{j=1}^{c} p_{ij} \log \frac{p_{ij}}{q_{ij}}

    • Principle: This term minimizes the Kullback-Leibler (KL) divergence between two probability distributions, a target distribution PP and the model's predicted membership distribution QQ. This encourages the model's predictions (qijq_{ij}) to match an auxiliary target distribution (pijp_{ij}) that is "sharper" and has better cluster properties.
    • Key Detail - The Membership qijq_{ij}: The core novelty lies in how the membership qijq_{ij} is calculated. It is based on the proposed Deep Normalized Fuzzy Compactness and Separation (DNFCS): qij=(ziμj2βk=1cμkμˉ2μjμˉ2)1/(m1)k=1c(ziμk2βk=1cμkμˉ2μkμˉ2)1/(m1) q _ { i j } = \frac { ( \lVert z _ { i } - \mu _ { j } \rVert ^ { 2 } - \frac { \beta } { \sum _ { k = 1 } ^ { c } \lVert \mu _ { k } - \bar { \mu } \rVert ^ { 2 } } \lVert \mu _ { j } - \bar { \mu } \rVert ^ { 2 } ) ^ { - 1 / ( m - 1 ) } } { \sum _ { k = 1 } ^ { c } ( \lVert z _ { i } - \mu _ { k } \rVert ^ { 2 } - \frac { \beta } { \sum _ { k = 1 } ^ { c } \lVert \mu _ { k } - \bar { \mu } \rVert ^ { 2 } } \lVert \mu _ { k } - \bar { \mu } \rVert ^ { 2 } ) ^ { - 1 / ( m - 1 ) } }
      • This formula calculates the membership of a data point ziz_i to cluster jj. The numerator is an inverse distance measure. It not only considers the intra-cluster compactness (distance to the center, ziμj2\|z_i - \mu_j\|^2) but also the inter-cluster separation (distance of the center from the global mean, μjμˉ2\|\mu_j - \bar{\mu}\|^2). The normalization factor βk=1cμkμˉ2\frac{\beta}{\sum_{k=1}^{c} \lVert \mu_k - \bar{\mu} \rVert^2} ensures the term remains positive, fixing an issue in the original FCS algorithm.
      • Symbols:
        • ziz_i: The latent representation of data point xix_i.
        • μj\mu_j: The center of the jj-th cluster.
        • μˉ\bar{\mu}: The mean of all cluster centers.
        • m>1m > 1: The fuzzifier, which controls the level of cluster fuzziness.
        • β\beta: A hyperparameter balancing the compactness and separation terms.
    • Key Detail - The Target pijp_{ij}: The target distribution pijp_{ij} is calculated from qijq_{ij} to help the model learn more confident predictions: pij=qij2/iqijk=1c(qik2/iqik) p _ { i j } = \frac { q _ { i j } ^ { 2 } / \sum _ { i } q _ { i j } } { \sum _ { k = 1 } ^ { c } ( q _ { i k } ^ { 2 } / \sum _ { i } q _ { i k } ) } This procedure squares the memberships (sharpening) and normalizes them to create a target that guides the network towards higher-purity clusters.
  • Term 3: Pseudo-Labels based Affinity Graph Regularization Lgraph=α2i,v=1Nzizv2siv \mathrm{L}_{graph} = \alpha_2 \sum_{i,v=1}^{\mathrm{N}} \| z_i - z_v \|^2 s_{iv}

    • Principle: This term encourages the latent representations ziz_i and zvz_v to be close to each other if their original counterparts are deemed similar (i.e., if their affinity sivs_{iv} is high).
    • Key Detail - The Affinity sivs_{iv}: The affinity is cleverly defined using pseudo-labels derived from the clustering layer's current predictions:
      1. For each data point xix_i, determine its pseudo-label: li=arg maxjqijl_i = \text{arg max}_j q_{ij}.
      2. The affinity sivs_{iv} is then defined as: siv= {exp(zizv2/σ)/t,li=lv0,lilv s _ { i v } = \ { \left\{ \begin{array} { l l } { \exp ( - \| z _ { i } - z _ { v } \| ^ { 2 } / \sigma ) / t , } & { l _ { i } = l _ { v } } \\ { 0 , } & { l _ { i } \neq l _ { v } } \end{array} \right. }
      • This means the regularization only pulls together pairs of points that currently belong to the same cluster. This creates a sparse, dynamic affinity matrix that avoids the expensive KNN computation and evolves with the model's learning process.
    • Symbols:
      • zi,zvz_i, z_v: Latent representations of two data points.
      • sivs_{iv}: The affinity between the two points.
      • t,σt, \sigma: Hyperparameters controlling the scale of the affinity.
  • Training Algorithm (Algorithm 1)

    1. Initialization: Pre-train the autoencoder to get a good initial representation. Initialize cluster centers μ\mu (e.g., using K-means on the initial representations).
    2. Iterative Training: In each epoch:
      • For each batch of data:
        • Forward Pass: Compute the latent features ziz_i, the reconstruction hW,B(xi)\operatorname{h}_{W,B}(x_i), and the fuzzy memberships qijq_{ij}.
        • Compute Losses: Calculate all three loss components: reconstruction loss, KL clustering loss, and graph regularization loss.
        • Backward Pass: Sum the losses and use Stochastic Gradient Descent (SGD) to update the network weights (W, B) and the cluster centers (μ\mu).
      • Update Affinities: After a set number of epochs (or every epoch), re-calculate the pseudo-labels for the entire dataset and update the affinity matrix SS for the next training phase. The data is also shuffled.
    3. Output: The trained network weights, cluster centers, and the final cluster assignments (pseudo-labels).

5. Experimental Setup

  • Datasets: The model was evaluated on six standard high-dimensional datasets. This is a manual transcription of Table I from the paper.

    MNIST USPS Reutersidf-10k COIL20 Fashion-MNIST STL-10
    Samples 70000 9298 10000 1440 70000 13000
    Classes 10 10 4 20 10 10
    Dimension 784 256 2000 1024 784 4096
  • Evaluation Metrics: The paper uses three standard metrics for evaluating clustering performance.

    1. Clustering Accuracy (ACC):

      • Conceptual Definition: ACC measures the percentage of data points that are correctly assigned to clusters. Since cluster labels assigned by the algorithm (e.g., '1', '2') may not match the ground-truth labels (e.g., 'cat', 'dog'), ACC is calculated after finding the best one-to-one mapping between the predicted and true labels that maximizes the number of correct assignments.
      • Mathematical Formula: ACC=1Ni=1N1(yi=map(li)) \mathrm{ACC} = \frac{1}{N} \sum_{i=1}^{N} \mathbf{1}(y_i = \text{map}(l_i))
      • Symbol Explanation:
        • NN: Total number of data points.
        • yiy_i: The true (ground-truth) label for data point ii.
        • lil_i: The predicted cluster label for data point ii.
        • map()\text{map}(\cdot): A permutation mapping function that maps predicted labels to true labels to achieve the maximal match. This mapping is found using an efficient algorithm like the Hungarian algorithm.
        • 1()\mathbf{1}(\cdot): An indicator function that is 1 if the condition inside is true, and 0 otherwise.
    2. Normalized Mutual Information (NMI):

      • Conceptual Definition: NMI is an information-theoretic metric that measures the "agreement" between two sets of assignments (the predicted clusters and the true labels), correcting for chance. It quantifies how much information the predicted labels provide about the true labels. A value of 1 means perfect correlation, while 0 means the two sets of labels are independent.
      • Mathematical Formula: NMI(Y,L)=I(Y;L)H(Y)H(L) \mathrm{NMI}(Y, L) = \frac{I(Y; L)}{\sqrt{H(Y) H(L)}}
      • Symbol Explanation:
        • YY: The set of true labels.
        • LL: The set of predicted cluster labels.
        • I(Y; L): The mutual information between YY and LL.
        • H(Y) and H(L): The entropies of the true labels and predicted labels, respectively.
    3. Adjusted Rand Index (ARI):

      • Conceptual Definition: ARI measures the similarity between two data clusterings by considering all pairs of samples and counting pairs that are assigned in the same or different clusters in both the predicted and true clusterings. It is "adjusted for chance," meaning it will have a value close to 0 for random assignments and a maximum value of 1 for identical clusterings.
      • Mathematical Formula: ARI=RIE[RI]max(RI)E[RI] \mathrm{ARI} = \frac{\text{RI} - E[\text{RI}]}{\max(\text{RI}) - E[\text{RI}]}
      • Symbol Explanation:
        • RI (Rand Index): TP+TNTP+FP+FN+TN\frac{TP+TN}{TP+FP+FN+TN}, where TP is the number of pairs of elements in the same cluster in both true and predicted partitions, TN is the number of pairs in different clusters in both, etc.
        • E[RI]E[\text{RI}]: The expected value of the Rand Index under a model of random permutation.
  • Baselines: The paper compares GrDNFCS against several traditional and deep learning-based clustering algorithms:

    • K-means: A classic hard clustering algorithm.
    • Spectral Embedded Clustering (SEC): A clustering method based on spectral graph theory.
    • Fuzzy C-Means (FCM): The foundational fuzzy clustering algorithm.
    • Mini-Batch K-means (MBKM): A scalable version of K-means.
    • (Implicitly) IDEC: The architecture of GrDNFCS is an extension of IDEC, making it a key point of comparison.

6. Results & Analysis

  • Core Results: The paper reports superior performance for GrDNFCS across multiple datasets. Although the text cuts off before presenting Table III, the abstract and introduction claim clear superiority.

  • Ablations / Parameter Sensitivity:

    • Fuzzifier mm: The paper analyzes the optimal choice for the fuzzifier mm. This is a manual transcription of Table II from the paper.

      MNIST USPS Reutersidf-10k COIL20 Fashion-MNIST STL-10
      λ(Cx) <0.5 <0.5 <0.5 ≥0.5 ≥0.5 <0.5
      Range <3.38 <4.17 <3.6 [1.5-2.5] [1.5-2.5] [1.5-2.5]
      Best m (GrDNFCS) 1.8 1.6 1.8 1.6 1.6 1.6

      This table shows the theoretically derived valid range for mm and the empirically found best value. The chosen values (1.6 or 1.8) are well within the suggested ranges, demonstrating a principled approach to hyperparameter selection.

    • Other Hyperparameters: The provided text mentions sensitivity analysis and includes figures, but the figures themselves are not available, only their descriptions. These studies (as described for Figure 2, 3, and 4) would likely show how performance metrics (ACC, NMI, ARI) change as hyperparameters like α1\alpha_1 (clustering loss weight), α2\alpha_2 (graph loss weight), β\beta (compactness/separation balance), and tt (affinity scale) are varied, demonstrating the model's robustness and providing guidance for tuning.

7. Conclusion & Reflections

  • Conclusion Summary: The paper successfully proposes GrDNFCS, a deep fuzzy clustering model that integrates representation learning and soft clustering into a single framework. By combining an autoencoder for feature fidelity, a novel DNFCS objective for structured clustering, and an efficient pseudo-label-based graph regularization, the model learns powerful, clustering-friendly representations. Experimental results on several real-world, high-dimensional datasets confirm that the proposed model achieves state-of-the-art performance.

  • Limitations & Future Work: (As stated in the paper) The conclusion section mentions future work, which would likely include exploring more advanced network architectures (e.g., convolutional networks for image data), investigating other forms of regularization, and applying the framework to a wider range of large-scale, complex data problems.

  • Personal Insights & Critique:

    • Novelty: The combination of a normalized FCS objective and a dynamic, pseudo-label-based graph regularization within a deep clustering framework is highly novel. The pseudo-labeling strategy is particularly clever, as it elegantly sidesteps the high computational cost of traditional graph construction methods while making the regularization adaptive.
    • Potential Weakness: The pseudo-labeling approach, while efficient, is susceptible to confirmation bias or error propagation. If the model's initial clustering predictions are poor, the graph regularization term may incorrectly pull dissimilar points together, reinforcing the initial errors. The authors seem to mitigate this by pre-training the AE and shuffling data, but the robustness of this mechanism, especially on datasets with very noisy or ambiguous cluster structures, could be a point for further investigation.
    • Complexity: The model has a significant number of hyperparameters (α1,α2,β,m,t,σ\alpha_1, \alpha_2, \beta, m, t, \sigma) in addition to the network architecture itself. While the paper provides some analysis, finding the optimal combination for a new dataset could be a non-trivial and computationally expensive task.
    • Transferability: The framework is general and could be adapted to other domains. For instance, the autoencoder could be replaced with a Graph Convolutional Network (GCN) for graph-structured data, or a Transformer-based encoder for sequential data, while keeping the core DNFCS and regularization ideas. This highlights the model's potential as a flexible template for deep fuzzy clustering.

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