DNB: A Joint Learning Framework for Deep Bayesian Nonparametric Clustering
TL;DR Summary
DNB proposes a deep Bayesian nonparametric framework for image clustering. It offers a "doubly unsupervised" end-to-end solution, jointly learning image clusters and deep representations by simultaneously estimating both cluster assignments and the number of clusters using Dirich
Abstract
Abstract — Clustering algorithms based on deep neural networks have been widely studied for image analysis. Most existing methods require partial knowledge of the true labels, namely, the number of clusters, which is usually not available in practice. In this article, we propose a Bayesian nonparametric framework, deep nonparametric Bayes (DNB), for jointly learning image clusters and deep representations in a doubly unsupervised manner. In doubly unsupervised learning, we are dealing with the problem of “unknown unknowns,” where we estimate not only the unknown image labels but also the unknown number of labels as well. The proposed algorithm alternates between generating a potentially unbounded number of clusters in the forward pass and learning the deep networks in the backward pass. With the help of the Dirichlet process mixtures, the proposed method is able to partition the latent representations space without specifying the number of clusters a priori . An important feature of this work is that all the estimation is realized with an end- to-end solution, which is very different from the methods that rely on post hoc analysis to select the number of clusters. Another key idea in this article is to provide a principled solution to the problem of “trivial solution” for deep clustering, which has not been much studied in the current literature. With extensive experiments on benchmark datasets, we show that our doubly unsupervised method achieves good clustering performance and outperforms many other unsupervised image clustering methods.
English Analysis
1. Bibliographic Information
- Title: DNB: A Joint Learning Framework for Deep Bayesian Nonparametric Clustering
- Authors: Zeya Wang, Yang Ni, Baoyu Jing, Deqing Wang, Hao Zhang, and Eric P. Xing. The authors have affiliations with prominent institutions such as Rice University, Texas A&M University, Carnegie Mellon University, University of Illinois at Urbana-Champaign, and Beihang University, indicating strong backgrounds in statistics, machine learning, and computer science.
- Journal/Conference: The paper's formatting, including the
Index Terms
and author biographies, is characteristic of an IEEE Transactions journal. The content is substantial, suggesting a journal publication rather than a conference proceeding. - Publication Year: While not explicitly stated in the provided text, the references and content style suggest a publication date around 2020-2022.
- Abstract: The paper introduces a deep Bayesian nonparametric framework called Deep Nonparametric Bayes (DNB) for image clustering. Unlike most deep clustering methods that require the number of clusters to be known beforehand, DNB operates in a "doubly unsupervised" manner, meaning it estimates both the cluster assignments and the number of clusters simultaneously. The framework alternates between a forward pass, where a Dirichlet Process Mixture (DPM) model generates a potentially unbounded number of clusters from latent features, and a backward pass, where a deep neural network is trained. The authors highlight two key contributions: an end-to-end solution that avoids post-hoc selection of cluster numbers and a principled regularization method to solve the common "trivial solution" problem in deep clustering. Experiments on benchmark datasets show that DNB achieves strong performance compared to other unsupervised methods.
- Original Source Link: /files/papers/68ef6156e77486f6f3192ef7/paper.pdf (Published, based on journal-style formatting).
2. Executive Summary
-
Background & Motivation (Why):
- Core Problem: Standard deep clustering algorithms for images require the user to specify the number of clusters () in advance. This is often impractical as is usually unknown in real-world exploratory analysis (e.g., identifying new cancer subtypes from medical images or discovering new object categories in astronomical surveys).
- Gaps in Prior Work: Previous approaches either fix or rely on expensive, multi-stage processes, such as running a clustering algorithm multiple times with different values and using a validity index to pick the best one. This is computationally costly and the choice of the index itself is a difficult problem. Additionally, many deep clustering methods suffer from the "trivial solution" problem, where the model learns degenerate features that collapse all data points into one or a few clusters to trivially minimize the loss.
- Innovation: DNB introduces a "doubly unsupervised" learning paradigm. It integrates a Bayesian Nonparametric (BNP) model, specifically a Dirichlet Process Mixture (DPM), directly into a deep learning framework. This allows the model to infer the number of clusters from the data itself, within an end-to-end training process. It also proposes a novel regularization term based on the determinant of the feature covariance matrix to prevent the "trivial solution."
-
Main Contributions / Findings (What):
- Formulation of "Doubly Unsupervised" Learning: The paper formally defines the problem of simultaneously learning deep representations, cluster assignments, and the number of clusters.
- Novel End-to-End Framework (DNB): It develops a joint learning framework that alternates between clustering in the feature space using a DPM (forward pass) and updating the feature extractor (a CNN) via backpropagation (backward pass), without needing to pre-specify .
- Principled Solution to the "Trivial Solution" Problem: It introduces a "repulsion" regularizer that maximizes the log-determinant of the feature covariance matrix. This encourages the network to learn separable and non-degenerate features, preventing feature collapse.
- Strong Empirical Performance: Extensive experiments show that DNB performs competitively, and often better than, state-of-the-art deep clustering methods that are given the true number of clusters or use expensive grid search strategies to find it.
3. Prerequisite Knowledge & Related Work
-
Foundational Concepts:
- Clustering: An unsupervised machine learning task that groups a set of objects such that objects in the same group (cluster) are more similar to each other than to those in other groups.
- Deep Clustering: A class of algorithms that use deep neural networks (DNNs) to learn a low-dimensional feature representation of high-dimensional data (like images) that is well-suited for clustering. This is often done jointly, where the feature learning and clustering steps influence each other.
- Convolutional Neural Network (CNN): A type of deep neural network designed specifically for processing grid-like data, such as images. It uses convolutional layers to automatically and adaptively learn spatial hierarchies of features. In DNB, a CNN acts as the feature extractor .
- Bayesian Nonparametrics (BNP): A branch of Bayesian statistics that allows models to have an "infinite" number of parameters. In the context of clustering, this means the number of clusters is not fixed in advance but can grow as more data is observed. This provides a natural way to solve the problem of an unknown number of clusters.
- Dirichlet Process (DP): A stochastic process, often described as a "distribution over distributions." A key property is that samples drawn from a DP are discrete distributions. This discreteness is what makes it suitable for clustering, as different data points can be assigned to the same discrete "atom," thus forming a cluster.
- Dirichlet Process Mixture (DPM) Model: A mixture model where the number of components is not fixed. It uses a Dirichlet Process as a prior on the mixture parameters. This allows the model to automatically infer the number of active components (clusters) from the data.
- "Trivial Solution" in Deep Clustering: A common failure mode where the deep network learns a degenerate mapping. For example, it might map all input images to a single point in the latent space. This would yield a perfect (zero) clustering loss but results in a useless, uninformative model.
-
Previous Works & Differentiation:
- Traditional Clustering: Methods like
K-means
andspectral clustering
work on pre-defined features and struggle with the "curse of dimensionality" on raw image data. They also typically require to be specified. - Two-Stage Deep Clustering: An early approach where a DNN (often an autoencoder) is first trained to learn features (e.g., by minimizing reconstruction loss), and then a traditional clustering algorithm is run on these extracted features. The paper notes this is suboptimal because features good for reconstruction are not necessarily good for clustering.
- Joint Deep Clustering (with fixed K): More recent methods jointly optimize the feature learning and clustering objectives.
- Autoencoder-based (e.g., DEC, DEPICT): Use an autoencoder architecture and add a clustering loss (like KL divergence) to the latent space. These require a decoder, which adds computational cost.
- Clustering-loss based CNNs (e.g., JULE, DeepCluster): Use a standard CNN architecture (like AlexNet) and directly optimize a clustering loss on its output features, without a decoder. This is more scalable.
- DNB's Differentiation: DNB belongs to the latter category but makes a critical departure: it does not require . While other methods need as a hyperparameter, DNB infers it using the DPM. This makes it "doubly unsupervised" and fundamentally more flexible for exploratory data analysis. The paper also contrasts its end-to-end nature with post-hoc approaches that run a fixed- algorithm many times to find the optimal .
- Traditional Clustering: Methods like
4. Methodology (Core Technology & Implementation)
The core of DNB is an iterative algorithm that alternates between a forward pass (clustering) and a backward pass (network training).
该图像是图1,展示了深度贝叶斯非参数(DNB)聚类的联合学习框架。它首先通过卷积神经网络(CNN)从输入图像中提取嵌入特征Z。随后,这些特征被送入Dirichlet过程混合模型(DP Mixtures)以生成和细化聚类标签Y_i。最终,嵌入特征Z和聚类标签Y_i共同计算联合损失L,并通过反向传播更新网络参数,实现了图像表示学习与聚类的端到端、双重无监督学习。
As shown in Figure 1, the DNB framework takes input images (), passes them through a CNN to get embedded features (), and then uses a DP Mixtures
model to generate cluster labels (). The features and labels are used to compute a joint loss (), which is back-propagated to update the CNN. A Refine the Clusters
step is included to improve the quality of the generated labels.
- Principles: The central idea is to use the powerful feature learning capabilities of CNNs while leveraging the flexibility of BNP models to determine the number of clusters automatically. The process is designed to be end-to-end, allowing the clustering objective to directly guide the learning of discriminative image representations.
A. DNB Clustering Algorithm
The algorithm iterates through a forward and backward step in each "period" (analogous to an epoch).
1. Forward Step: Clustering with DPMs and Refinement
Given the embedded features from the CNN , the goal is to partition them into clusters and estimate cluster parameters.
-
DPMs and Clustering: The paper models the features using a Dirichlet Process Mixture (DPM) model. This is a hierarchical Bayesian model:
- : The feature vector for the -th image.
- : The parameter of the distribution for the -th data point. In this paper, , representing the mean and precision matrix of a Gaussian distribution.
- : A random probability distribution drawn from a Dirichlet Process (DP). Because is discrete, multiple values will be identical, naturally forming clusters (i.e., if , then images and are in the same cluster).
- : The Dirichlet Process prior. is the concentration parameter (controls the tendency to create new clusters), and is the base distribution (the prior for the cluster parameters ).
-
Approximate Posterior Inference via Variational Bayes (VB): The exact posterior distribution of the DPM is intractable. The authors use Variational Bayes (VB), an approximate inference technique. VB approximates the true posterior with a simpler, factorized distribution and minimizes the KL divergence between and the true posterior. The DPM is truncated at a sufficiently large level (e.g., 100), which acts as an upper bound, not a pre-specified number of clusters. The VB algorithm iteratively updates the parameters of the variational distributions to find the best approximation.
-
Refine the Clusters (SIGN algorithm): The output of VB can be noisy and may include many small, singleton clusters. To address this, DNB uses the
SIGN
algorithm to refine the clusters.SIGN
is a "clustering of clusters" method that merges similar, small clusters into larger, more stable ones. This step reduces the number of clusters from the initial estimate to a more compact final number .
2. Backward Step: Backpropagate the Network
After the forward pass provides pseudo-labels and cluster parameters , the CNN parameters are updated.
- Loss Function: The loss is derived from the DPM's log-posterior. The initial, intractable form with an infinite sum is: By using the pseudo-labels from the forward pass, this simplifies to a tractable clustering loss: This loss measures the sum of Mahalanobis distances of each feature vector to its assigned cluster center . Minimizing it pushes features closer to their respective cluster centers.
B. The "Trivial Solution" Problem and Regularization
Minimizing alone can lead to the "trivial solution" where all features collapse to a single point. To prevent this, the authors introduce a regularization term.
- Repulsion and Regularization: The intuition is to force the learned features to be "spread out" or "repulsive." The volume spanned by the features is related to the determinant of their sample covariance matrix, . A small determinant implies collapsed, degenerate features, while a large determinant implies spread-out, separable features.
- Objective Function: To enforce this, they add a constraint , which is converted into a penalty term using Lagrange multipliers. The final objective function to be minimized is: where is the precision matrix, and is a balancing hyperparameter. The term , so minimizing it is equivalent to maximizing the log-determinant of the covariance matrix. This "repulsion" regularizer, , forces the network to produce a diverse set of features, preventing collapse and enabling meaningful clustering.
The overall training procedure is summarized in Algorithm 1, which iterates between generating features (step 5a), estimating clusters with VB (5b), refining them with SIGN (5c), and updating the network parameters using the combined loss function with mini-batch stochastic gradient descent (5d).
5. Experimental Setup
-
Datasets: The method was evaluated on five common image clustering benchmark datasets. The details are transcribed from Table I below.
Dataset #Samples Image Size #Classes YTF 10,000 55×55 41 USPS 11,000 16×16 10 MNIST-test 10,000 28×28 10 UMist 575 112×92 20 FRGC 2462 32×32 20 -
Evaluation Metrics:
-
Normalized Mutual Information (NMI):
- Conceptual Definition: NMI measures the mutual dependence between two sets of cluster assignments (the predicted labels and the ground truth labels). It quantifies how much information one set of labels provides about the other, normalized to a scale of 0 (no mutual information) to 1 (perfect correlation). It is robust to permutations of cluster labels.
- Mathematical Formula:
- Symbol Explanation:
- : The set of ground truth labels.
- : The set of predicted cluster labels.
I(Y, C)
: The mutual information between and .H(Y)
andH(C)
: The entropy of the label sets and , respectively.
-
Clustering Accuracy (ACC):
- Conceptual Definition: ACC measures the percentage of data points that are correctly clustered. Since the predicted cluster labels are arbitrary (e.g., cluster '1' might correspond to true label '7'), it first finds the best one-to-one mapping between predicted clusters and true labels using the Hungarian algorithm and then calculates the accuracy based on this optimal mapping.
- Mathematical Formula:
- Symbol Explanation:
- : The total number of data points.
- : The ground truth label for data point .
- : The predicted cluster label for data point .
- : The optimal mapping function found by the Hungarian algorithm that maps predicted cluster labels to ground truth labels to maximize the overall accuracy.
- : The indicator function, which is 1 if the condition is true and 0 otherwise.
-
-
Baselines: DNB is compared against a wide range of methods:
- Traditional Methods:
K-means
,SC-NJW
(spectral clustering),N-Cuts
, etc. These are run on PCA-reduced features. - Deep Clustering Methods (fixed K):
DEC
(Deep Embedded Clustering)JULE
(Joint Unsupervised Learning)DEPICT
(Deep Embedded Regularized Clustering)
- Setup for JULE and DEPICT: Since these methods require , the authors simulate a real-world scenario by running them on a grid of values from 5 to 100. The "best" is then selected using seven different common clustering validity indices (e.g.,
Silhouette Score (SC)
,Dunn Index (DUNN)
). This highlights the difficulty and cost of choosing in practice. - BNP on PCA: A baseline where the BNP model (DPM) is run directly on PCA features, without joint deep feature learning.
- Traditional Methods:
6. Results & Analysis
-
Core Results: The main clustering performance on NMI and ACC is transcribed from Table II.
Dataset YTF USPS MNIST-test UMist FRGC NMI ACC NMI ACC NMI ACC NMI ACC NMI ACC K-means 0.761 0.548 0.447 0.467 0.528 0.560 0.609 0.419 0.389 0.327 SC-NJW 0.752 0.551 0.690 0.413 0.755 0.220 0.727 0.551 0.186 0.178 SC-ST 0.620 0.290 0.726 0.308 0.756 0.454 0.611 0.411 0.431 0.358 SC-LS 0.759 0.544 0.681 0.659 0.756 0.740 0.810 0.568 0.550 0.407 N-Cuts 0.742 0.536 0.675 0.314 0.753 0.304 0.782 0.550 0.285 0.235 AC-Link 0.738 0.547 0.579 0.421 0.662 0.693 0.643 0.398 0.168 0.175 AC-Zell 0.733 0.519 0.799 0.575 0.768 0.693 0.755 0.517 0.351 0.266 SEC - - 0.511 0.544 0.790 0.815 - 0.633 - - LDMGI - - 0.563 0.580 0.811 0.847 0.866 0.691 - - NMF-LP 0.720 0.546 0.435 0.522 0.467 0.479 0.560 0.365 0.346 0.259 BNP 0.831
(0.008)0.506
(0.012)0.642
(0.005)0.169
(0.015)0.621
(0.003)0.157
(0.005)0.776
(0.006)0.273
(0.018)0.538
(0.017)0.213
(0.003)NMF-D 0.562 0.536 0.287 0.382 0.241 0.250 0.500 - 0.259 0.274 DEC 0.446 0.371 0.586 0.619 0.827 0.859 0.713 0.552 0.505 0.378 JULE + SC 0.911 0.683 0.927 0.944 0.916 0.912 0.840 0.486 0.669 0.543 (0.002) (0.008) (0.014) (0.041) (0.001) (0.027) (0.015) (0.063) (0.027) (0.009) DEPICT + SC 0.462 0.229 0.662 0.478 0.660 0.600 - - 0.454 0.364 (0.004) (0.000) (0.058) (0.024) (0.219) (0.313) (0.172) (0.108) JULE + DUNN 0.790 0.547 0.743 0.464 0.767 0.600 0.829 0.605 0.627 0.523 (0.113) (0.116) (0.046) (0.056) (0.153) (0.325) (0.124) (0.253) (0.099) (0.037) DEPICT + DUNN 0.462 0.229 0.889 0.852 0.826 0.721 - - 0.458 0.373 (0.004) (0.000) (0.026) (0.055) (0.04) (0.139) (0.191) (0.127) DNB 0.884 0.658 0.835 0.724 0.860 0.841 0.851 0.710 0.651 0.464 (0.008) (0.008) (0.020) (0.031) (0.004) (0.025) (0.042) (0.056) (0.021) (0.020) - Analysis: DNB achieves very competitive results across all datasets without requiring the number of clusters as input. For instance, on USPS and MNIST-test, its NMI and ACC scores are high and often superior to many baselines.
- Comparison with JULE/DEPICT: The performance of JULE and DEPICT varies significantly depending on the validity index used (e.g.,
JULE + SC
is very strong, whileJULE + DUNN
is much weaker). This highlights the unreliability of this two-step approach in practice when the ground truth is unknown. DNB provides a single, robust solution without this ambiguity and is also significantly faster.
-
Sensitivity Analysis of DPM Hyperparameters:
该图像是图2,显示了Dirichlet超参数()的敏感性分析。图表展示了在不同值下,五种数据集(YTF、FRGC、Umist、USPS、MNIST_TEST)的聚类性能(NMI)。YTF数据集的NMI值最高且最稳定,约为0.88-0.89。FRGC数据集的NMI值最低,在0.64-0.67之间波动。其他数据集的性能介于两者之间,且随的变化相对稳定,表明该模型对超参数的敏感性较低。
- Analysis: Figure 2 shows the clustering performance (NMI) as the DPM concentration hyperparameter varies. The performance is remarkably stable across different values of for all datasets. This indicates that the model is not sensitive to this hyperparameter and that the data itself is the primary driver of the posterior clustering, justifying the use of a noninformative prior.
-
Finding the Number of Estimated Clusters:
该图像是图3,一个折线图,展示了深度贝叶斯非参数聚类模型在不同数据集(如YTF、FRGC、Umist、USPS和MNIST_TEST)上,随聚类进程(%)估计出的簇数量的变化。左侧Y轴表示估计簇数量,右侧Y轴显示真实类别数量,用于对照。多数数据集的估计簇数量在初始阶段后趋于稳定,并接近其真实类别数量,体现了该方法无需预设簇数量的特性。
- Analysis: Figure 3 shows the number of major clusters estimated by DNB during training. For datasets like MNIST-test and UMist, the estimated number converges very close to the true number of classes (10 and 20, respectively). For others, it is reasonably close (e.g., slightly overestimating for USPS and FRGC, and underestimating for YTF). This demonstrates the model's ability to effectively infer a reasonable number of clusters from the data.
-
Ablation Experiments: The ablation studies in Table III are crucial for understanding the contribution of each component of DNB. The table is transcribed below.
IndiCates FAIled TRaiNINg Dataset Pretrain SIGN DPM/GMM Rep NMI/ACC YTF ✓ ✓ DPM ✓ 0.884/0.658 (0.008/0.008) ✓ DPM ✓ 0.881/0.647 (0.001/0.004) ✓ DPM ✓ 0.875/0.656 (0.013/0.013) ✓ ✓ GMM ✓ 0.865/0.583 (0.004/0.010) ✓ GMM ✓ 0.868/0.570 (0.002/0.010) ✓ ✓ DPM × USPS ✓ ✓ DPM ✓ 0.835/0.724 (0.020/0.031) ✓ DPM ✓ 0.790/0.674 (0.010/0.011) ✓ DPM ✓ 0.818/0.755 (0.005/0.005) ✓ ✓ GMM ✓ 0.702/0.299 (0.005/0.017) ✓ GMM ✓ 0.691/0.295 (0.018/0.062) ✓ ✓ DPM × MNIST-test ✓ ✓ DPM ✓ 0.860/0.841 (0.004/0.025) ✓ DPM ✓ 0.822/0.775 (0.008/0.028) ✓ DPM ✓ 0.775/0.754 (0.016/0.005) ✓ ✓ GMM ✓ 0.721/0.368 (0.004/0.006) ✓ ✓ DPM × UMist ✓ ✓ DPM ✓ 0.851/0.710 (0.042/0.056) ✓ DPM ✓ 0.838/0.667 (0.048/0.067) ✓ DPM ✓ 0.770/0.503 (0.041/0.044) ✓ ✓ GMM ✓ 0.873/0.629 (0.009/0.012) ✓ ✓ DPM × FRGC ✓ ✓ DPM ✓ 0.651/0.464 (0.021/0.020) ✓ DPM ✓ 0.642/0.463 (0.012/0.007) ✓ DPM ✓ 0.645/0.463 (0.018/0.024) ✓ ✓ GMM ✓ 0.672/0.430 (0.014/0.013) ✓ ✓ DPM × - Effect of Initialization: Using the PCA-based pretraining provides a modest but consistent improvement over random initialization, showing its benefit as a good starting point.
- Effect of SIGN: Removing the
SIGN
refinement step generally degrades performance, confirming its role in producing higher-quality pseudo-labels for training the network. - Effect of DPM vs. GMM: Replacing the DPM with a fixed
Gaussian Mixture Model (GMM)
(with a large number of components) significantly hurts performance on most datasets, validating the importance of the BNP model's ability to adapt the number of clusters. - Effect of Repulsion Regularization: This is the most critical component. Removing the repulsion regularizer (
Rep
column is empty) causes the training to fail (×
) for all datasets. This proves that the regularizer is essential to prevent the "trivial solution" and enable stable training.
7. Conclusion & Reflections
-
Conclusion Summary: The paper successfully introduces DNB, a novel framework for deep clustering that addresses a major limitation of prior work: the need to pre-specify the number of clusters. By integrating a Bayesian nonparametric model (DPM) into an end-to-end deep learning pipeline, DNB can jointly learn image features, cluster assignments, and the number of clusters. Furthermore, it proposes an effective "repulsion" regularizer that solves the pervasive "trivial solution" problem. The experimental results demonstrate that DNB is a practical and high-performing method for "doubly unsupervised" image clustering.
-
Limitations & Future Work: The authors acknowledge several limitations:
- Network Architecture: They used relatively simple CNN architectures to facilitate comparison with prior work. Exploring more advanced architectures could further improve performance.
- Scalability: While more scalable than autoencoder-based methods, experiments on extremely large and complex datasets like ImageNet were left for future work due to the high computational cost.
- Hyperparameter Tuning: The authors suggest that exploring automated hyperparameter tuning or ensemble methods could alleviate the impact of architecture and hyperparameter choices.
-
Personal Insights & Critique:
- Novelty and Impact: The paper's primary contribution—a truly end-to-end, "doubly unsupervised" deep clustering framework—is highly significant. It moves the field closer to fully automated data exploration. The proposed "repulsion" regularizer is also a simple, elegant, and powerful idea that could be adopted by other deep clustering algorithms suffering from feature collapse.
- Potential Improvements: The forward pass, involving Variational Bayes for a DPM and the SIGN algorithm, is computationally more intensive than the simple
k-means
step used in methods like DeepCluster. This trade-off between flexibility and computational speed is a key consideration. Future work could explore more efficient inference methods for BNP models to speed up the forward pass. - Transferability: The core idea of combining deep feature learning with BNP models is not limited to image clustering. It could be extended to other domains like text document clustering, time-series analysis, or bioinformatics, where the underlying number of groups is often unknown. The repulsion regularizer is also general and could be applied in any setting where learned representations are at risk of collapsing.
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